IMP logo
IMP Reference Guide  2.16.0
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 do_apply_moved(self, sm, moved_pis, reset_pis):
3196  """do_apply_moved(BondPairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
3197  return _IMP_atom.BondPairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
3198 
3199 
3200  def get_version_info(self):
3201  """get_version_info(BondPairContainer self) -> VersionInfo"""
3202  return _IMP_atom.BondPairContainer_get_version_info(self)
3203 
3204 
3205  def __str__(self):
3206  """__str__(BondPairContainer self) -> std::string"""
3207  return _IMP_atom.BondPairContainer___str__(self)
3208 
3209 
3210  def __repr__(self):
3211  """__repr__(BondPairContainer self) -> std::string"""
3212  return _IMP_atom.BondPairContainer___repr__(self)
3213 
3214 
3215  @staticmethod
3216  def get_from(o):
3217  return _object_cast_to_BondPairContainer(o)
3218 
3219 BondPairContainer_swigregister = _IMP_atom.BondPairContainer_swigregister
3220 BondPairContainer_swigregister(BondPairContainer)
3221 
3222 class BondSingletonScore(IMP.SingletonScore):
3223  """Proxy of C++ IMP::atom::BondSingletonScore class"""
3224  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3225 
3226  def __init__(self, f):
3227  """__init__(IMP::atom::BondSingletonScore self, UnaryFunction f) -> BondSingletonScore"""
3228  this = _IMP_atom.new_BondSingletonScore(f)
3229  try:
3230  self.this.append(this)
3231  except:
3232  self.this = this
3233 
3234  def get_unary_function(self):
3235  """get_unary_function(BondSingletonScore self) -> UnaryFunction"""
3236  return _IMP_atom.BondSingletonScore_get_unary_function(self)
3237 
3238 
3239  def do_get_inputs(self, m, pis):
3240  """do_get_inputs(BondSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3241  return _IMP_atom.BondSingletonScore_do_get_inputs(self, m, pis)
3242 
3243 
3244  def get_version_info(self):
3245  """get_version_info(BondSingletonScore self) -> VersionInfo"""
3246  return _IMP_atom.BondSingletonScore_get_version_info(self)
3247 
3248 
3249  def __str__(self):
3250  """__str__(BondSingletonScore self) -> std::string"""
3251  return _IMP_atom.BondSingletonScore___str__(self)
3252 
3253 
3254  def __repr__(self):
3255  """__repr__(BondSingletonScore self) -> std::string"""
3256  return _IMP_atom.BondSingletonScore___repr__(self)
3257 
3258 
3259  @staticmethod
3260  def get_from(o):
3261  return _object_cast_to_BondSingletonScore(o)
3262 
3263 BondSingletonScore_swigregister = _IMP_atom.BondSingletonScore_swigregister
3264 BondSingletonScore_swigregister(BondSingletonScore)
3265 
3266 class DihedralSingletonScore(IMP.SingletonScore):
3267  """Proxy of C++ IMP::atom::DihedralSingletonScore class"""
3268  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3269 
3270  def __init__(self):
3271  """__init__(IMP::atom::DihedralSingletonScore self) -> DihedralSingletonScore"""
3272  this = _IMP_atom.new_DihedralSingletonScore()
3273  try:
3274  self.this.append(this)
3275  except:
3276  self.this = this
3277 
3278  def do_get_inputs(self, m, pis):
3279  """do_get_inputs(DihedralSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3280  return _IMP_atom.DihedralSingletonScore_do_get_inputs(self, m, pis)
3281 
3282 
3283  def get_version_info(self):
3284  """get_version_info(DihedralSingletonScore self) -> VersionInfo"""
3285  return _IMP_atom.DihedralSingletonScore_get_version_info(self)
3286 
3287 
3288  def __str__(self):
3289  """__str__(DihedralSingletonScore self) -> std::string"""
3290  return _IMP_atom.DihedralSingletonScore___str__(self)
3291 
3292 
3293  def __repr__(self):
3294  """__repr__(DihedralSingletonScore self) -> std::string"""
3295  return _IMP_atom.DihedralSingletonScore___repr__(self)
3296 
3297 
3298  @staticmethod
3299  def get_from(o):
3300  return _object_cast_to_DihedralSingletonScore(o)
3301 
3302 DihedralSingletonScore_swigregister = _IMP_atom.DihedralSingletonScore_swigregister
3303 DihedralSingletonScore_swigregister(DihedralSingletonScore)
3304 
3305 class ImproperSingletonScore(IMP.SingletonScore):
3306  """Proxy of C++ IMP::atom::ImproperSingletonScore class"""
3307  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3308 
3309  def __init__(self, f):
3310  """__init__(IMP::atom::ImproperSingletonScore self, UnaryFunction f) -> ImproperSingletonScore"""
3311  this = _IMP_atom.new_ImproperSingletonScore(f)
3312  try:
3313  self.this.append(this)
3314  except:
3315  self.this = this
3316 
3317  def do_get_inputs(self, m, pis):
3318  """do_get_inputs(ImproperSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3319  return _IMP_atom.ImproperSingletonScore_do_get_inputs(self, m, pis)
3320 
3321 
3322  def get_version_info(self):
3323  """get_version_info(ImproperSingletonScore self) -> VersionInfo"""
3324  return _IMP_atom.ImproperSingletonScore_get_version_info(self)
3325 
3326 
3327  def __str__(self):
3328  """__str__(ImproperSingletonScore self) -> std::string"""
3329  return _IMP_atom.ImproperSingletonScore___str__(self)
3330 
3331 
3332  def __repr__(self):
3333  """__repr__(ImproperSingletonScore self) -> std::string"""
3334  return _IMP_atom.ImproperSingletonScore___repr__(self)
3335 
3336 
3337  @staticmethod
3338  def get_from(o):
3339  return _object_cast_to_ImproperSingletonScore(o)
3340 
3341 ImproperSingletonScore_swigregister = _IMP_atom.ImproperSingletonScore_swigregister
3342 ImproperSingletonScore_swigregister(ImproperSingletonScore)
3343 
3344 class CenterOfMass(IMP.Decorator):
3345  """Proxy of C++ IMP::atom::CenterOfMass class"""
3346  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3347 
3348  def get_constraint(self):
3349  """get_constraint(CenterOfMass self) -> Constraint"""
3350  return _IMP_atom.CenterOfMass_get_constraint(self)
3351 
3352 
3353  def get_mass(self):
3354  """get_mass(CenterOfMass self) -> IMP::Float"""
3355  return _IMP_atom.CenterOfMass_get_mass(self)
3356 
3357 
3358  def get_coordinate(self, i):
3359  """get_coordinate(CenterOfMass self, int i) -> IMP::Float"""
3360  return _IMP_atom.CenterOfMass_get_coordinate(self, i)
3361 
3362 
3363  def get_coordinates(self):
3364  """get_coordinates(CenterOfMass self) -> Vector3D"""
3365  return _IMP_atom.CenterOfMass_get_coordinates(self)
3366 
3367 
3368  def __init__(self, *args):
3369  """
3370  __init__(IMP::atom::CenterOfMass self) -> CenterOfMass
3371  __init__(IMP::atom::CenterOfMass self, Model m, ParticleIndex id) -> CenterOfMass
3372  __init__(IMP::atom::CenterOfMass self, _ParticleAdaptor d) -> CenterOfMass
3373  """
3374  this = _IMP_atom.new_CenterOfMass(*args)
3375  try:
3376  self.this.append(this)
3377  except:
3378  self.this = this
3379 
3380  def show(self, *args):
3381  """
3382  show(CenterOfMass self, _ostream out)
3383  show(CenterOfMass self)
3384  """
3385  return _IMP_atom.CenterOfMass_show(self, *args)
3386 
3387 
3388  def setup_particle(*args):
3389  """
3390  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3391  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3392  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3393  setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3394  """
3395  return _IMP_atom.CenterOfMass_setup_particle(*args)
3396 
3397  setup_particle = staticmethod(setup_particle)
3398 
3399  def teardown_particle(com):
3400  """teardown_particle(CenterOfMass com)"""
3401  return _IMP_atom.CenterOfMass_teardown_particle(com)
3402 
3403  teardown_particle = staticmethod(teardown_particle)
3404 
3405  def get_is_setup(*args):
3406  """
3407  get_is_setup(_ParticleAdaptor p) -> bool
3408  get_is_setup(Model m, ParticleIndex pi) -> bool
3409  """
3410  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3411 
3412  get_is_setup = staticmethod(get_is_setup)
3413 
3414  def add_attribute(self, *args):
3415  """
3416  add_attribute(CenterOfMass self, FloatKey k, IMP::Float v, bool opt)
3417  add_attribute(CenterOfMass self, FloatKey a0, IMP::Float a1)
3418  add_attribute(CenterOfMass self, IntKey a0, IMP::Int a1)
3419  add_attribute(CenterOfMass self, FloatsKey a0, IMP::Floats a1)
3420  add_attribute(CenterOfMass self, IntsKey a0, IMP::Ints a1)
3421  add_attribute(CenterOfMass self, StringKey a0, IMP::String a1)
3422  add_attribute(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3423  add_attribute(CenterOfMass self, ObjectKey a0, Object a1)
3424  """
3425  return _IMP_atom.CenterOfMass_add_attribute(self, *args)
3426 
3427 
3428  def get_value(self, *args):
3429  """
3430  get_value(CenterOfMass self, FloatKey a0) -> IMP::Float
3431  get_value(CenterOfMass self, IntKey a0) -> IMP::Int
3432  get_value(CenterOfMass self, FloatsKey a0) -> IMP::Floats
3433  get_value(CenterOfMass self, IntsKey a0) -> IMP::Ints
3434  get_value(CenterOfMass self, StringKey a0) -> IMP::String
3435  get_value(CenterOfMass self, ParticleIndexKey a0) -> Particle
3436  get_value(CenterOfMass self, ObjectKey a0) -> Object
3437  """
3438  return _IMP_atom.CenterOfMass_get_value(self, *args)
3439 
3440 
3441  def set_value(self, *args):
3442  """
3443  set_value(CenterOfMass self, FloatKey a0, IMP::Float a1)
3444  set_value(CenterOfMass self, IntKey a0, IMP::Int a1)
3445  set_value(CenterOfMass self, FloatsKey a0, IMP::Floats a1)
3446  set_value(CenterOfMass self, IntsKey a0, IMP::Ints a1)
3447  set_value(CenterOfMass self, StringKey a0, IMP::String a1)
3448  set_value(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3449  set_value(CenterOfMass self, ObjectKey a0, Object a1)
3450  """
3451  return _IMP_atom.CenterOfMass_set_value(self, *args)
3452 
3453 
3454  def remove_attribute(self, *args):
3455  """
3456  remove_attribute(CenterOfMass self, FloatKey a0)
3457  remove_attribute(CenterOfMass self, IntKey a0)
3458  remove_attribute(CenterOfMass self, FloatsKey a0)
3459  remove_attribute(CenterOfMass self, IntsKey a0)
3460  remove_attribute(CenterOfMass self, StringKey a0)
3461  remove_attribute(CenterOfMass self, ParticleIndexKey a0)
3462  remove_attribute(CenterOfMass self, ObjectKey a0)
3463  """
3464  return _IMP_atom.CenterOfMass_remove_attribute(self, *args)
3465 
3466 
3467  def has_attribute(self, *args):
3468  """
3469  has_attribute(CenterOfMass self, FloatKey a0) -> bool
3470  has_attribute(CenterOfMass self, IntKey a0) -> bool
3471  has_attribute(CenterOfMass self, FloatsKey a0) -> bool
3472  has_attribute(CenterOfMass self, IntsKey a0) -> bool
3473  has_attribute(CenterOfMass self, StringKey a0) -> bool
3474  has_attribute(CenterOfMass self, ParticleIndexKey a0) -> bool
3475  has_attribute(CenterOfMass self, ObjectKey a0) -> bool
3476  """
3477  return _IMP_atom.CenterOfMass_has_attribute(self, *args)
3478 
3479 
3480  def get_derivative(self, a0):
3481  """get_derivative(CenterOfMass self, FloatKey a0) -> double"""
3482  return _IMP_atom.CenterOfMass_get_derivative(self, a0)
3483 
3484 
3485  def get_name(self):
3486  """get_name(CenterOfMass self) -> std::string"""
3487  return _IMP_atom.CenterOfMass_get_name(self)
3488 
3489 
3490  def clear_caches(self):
3491  """clear_caches(CenterOfMass self)"""
3492  return _IMP_atom.CenterOfMass_clear_caches(self)
3493 
3494 
3495  def set_name(self, a0):
3496  """set_name(CenterOfMass self, std::string a0)"""
3497  return _IMP_atom.CenterOfMass_set_name(self, a0)
3498 
3499 
3500  def set_check_level(self, a0):
3501  """set_check_level(CenterOfMass self, IMP::CheckLevel a0)"""
3502  return _IMP_atom.CenterOfMass_set_check_level(self, a0)
3503 
3504 
3505  def add_to_derivative(self, a0, a1, a2):
3506  """add_to_derivative(CenterOfMass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3507  return _IMP_atom.CenterOfMass_add_to_derivative(self, a0, a1, a2)
3508 
3509 
3510  def set_is_optimized(self, a0, a1):
3511  """set_is_optimized(CenterOfMass self, FloatKey a0, bool a1)"""
3512  return _IMP_atom.CenterOfMass_set_is_optimized(self, a0, a1)
3513 
3514 
3515  def get_is_optimized(self, a0):
3516  """get_is_optimized(CenterOfMass self, FloatKey a0) -> bool"""
3517  return _IMP_atom.CenterOfMass_get_is_optimized(self, a0)
3518 
3519 
3520  def get_check_level(self):
3521  """get_check_level(CenterOfMass self) -> IMP::CheckLevel"""
3522  return _IMP_atom.CenterOfMass_get_check_level(self)
3523 
3524 
3525  def __eq__(self, *args):
3526  """
3527  __eq__(CenterOfMass self, CenterOfMass o) -> bool
3528  __eq__(CenterOfMass self, Particle d) -> bool
3529  """
3530  return _IMP_atom.CenterOfMass___eq__(self, *args)
3531 
3532 
3533  def __ne__(self, *args):
3534  """
3535  __ne__(CenterOfMass self, CenterOfMass o) -> bool
3536  __ne__(CenterOfMass self, Particle d) -> bool
3537  """
3538  return _IMP_atom.CenterOfMass___ne__(self, *args)
3539 
3540 
3541  def __le__(self, *args):
3542  """
3543  __le__(CenterOfMass self, CenterOfMass o) -> bool
3544  __le__(CenterOfMass self, Particle d) -> bool
3545  """
3546  return _IMP_atom.CenterOfMass___le__(self, *args)
3547 
3548 
3549  def __lt__(self, *args):
3550  """
3551  __lt__(CenterOfMass self, CenterOfMass o) -> bool
3552  __lt__(CenterOfMass self, Particle d) -> bool
3553  """
3554  return _IMP_atom.CenterOfMass___lt__(self, *args)
3555 
3556 
3557  def __ge__(self, *args):
3558  """
3559  __ge__(CenterOfMass self, CenterOfMass o) -> bool
3560  __ge__(CenterOfMass self, Particle d) -> bool
3561  """
3562  return _IMP_atom.CenterOfMass___ge__(self, *args)
3563 
3564 
3565  def __gt__(self, *args):
3566  """
3567  __gt__(CenterOfMass self, CenterOfMass o) -> bool
3568  __gt__(CenterOfMass self, Particle d) -> bool
3569  """
3570  return _IMP_atom.CenterOfMass___gt__(self, *args)
3571 
3572 
3573  def __hash__(self):
3574  """__hash__(CenterOfMass self) -> std::size_t"""
3575  return _IMP_atom.CenterOfMass___hash__(self)
3576 
3577 
3578  def __str__(self):
3579  """__str__(CenterOfMass self) -> std::string"""
3580  return _IMP_atom.CenterOfMass___str__(self)
3581 
3582 
3583  def __repr__(self):
3584  """__repr__(CenterOfMass self) -> std::string"""
3585  return _IMP_atom.CenterOfMass___repr__(self)
3586 
3587  __swig_destroy__ = _IMP_atom.delete_CenterOfMass
3588  __del__ = lambda self: None
3589 CenterOfMass_swigregister = _IMP_atom.CenterOfMass_swigregister
3590 CenterOfMass_swigregister(CenterOfMass)
3591 
3592 def CenterOfMass_setup_particle(*args):
3593  """
3594  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3595  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3596  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3597  CenterOfMass_setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3598  """
3599  return _IMP_atom.CenterOfMass_setup_particle(*args)
3600 
3601 def CenterOfMass_teardown_particle(com):
3602  """CenterOfMass_teardown_particle(CenterOfMass com)"""
3603  return _IMP_atom.CenterOfMass_teardown_particle(com)
3604 
3605 def CenterOfMass_get_is_setup(*args):
3606  """
3607  get_is_setup(_ParticleAdaptor p) -> bool
3608  CenterOfMass_get_is_setup(Model m, ParticleIndex pi) -> bool
3609  """
3610  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3611 
3612 class CoverBond(IMP.SingletonModifier):
3613  """Proxy of C++ IMP::atom::CoverBond class"""
3614  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3615 
3616  def __init__(self):
3617  """__init__(IMP::atom::CoverBond self) -> CoverBond"""
3618  this = _IMP_atom.new_CoverBond()
3619  try:
3620  self.this.append(this)
3621  except:
3622  self.this = this
3623 
3624  def do_get_inputs(self, m, pis):
3625  """do_get_inputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3626  return _IMP_atom.CoverBond_do_get_inputs(self, m, pis)
3627 
3628 
3629  def do_get_outputs(self, m, pis):
3630  """do_get_outputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3631  return _IMP_atom.CoverBond_do_get_outputs(self, m, pis)
3632 
3633 
3634  def get_version_info(self):
3635  """get_version_info(CoverBond self) -> VersionInfo"""
3636  return _IMP_atom.CoverBond_get_version_info(self)
3637 
3638 
3639  def __str__(self):
3640  """__str__(CoverBond self) -> std::string"""
3641  return _IMP_atom.CoverBond___str__(self)
3642 
3643 
3644  def __repr__(self):
3645  """__repr__(CoverBond self) -> std::string"""
3646  return _IMP_atom.CoverBond___repr__(self)
3647 
3648 
3649  @staticmethod
3650  def get_from(o):
3651  return _object_cast_to_CoverBond(o)
3652 
3653 CoverBond_swigregister = _IMP_atom.CoverBond_swigregister
3654 CoverBond_swigregister(CoverBond)
3655 
3656 class Simulator(IMP.Optimizer):
3657  """Proxy of C++ IMP::atom::Simulator class"""
3658  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3659 
3660  def __init__(self, *args):
3661  """
3662  __init__(IMP::atom::Simulator self, Model m, std::string name, double wave_factor=1.0) -> Simulator
3663  __init__(IMP::atom::Simulator self, Model m, std::string name) -> Simulator
3664  __init__(IMP::atom::Simulator self, Model m) -> Simulator
3665  """
3666  if self.__class__ == Simulator:
3667  _self = None
3668  else:
3669  _self = self
3670  this = _IMP_atom.new_Simulator(_self, *args)
3671  try:
3672  self.this.append(this)
3673  except:
3674  self.this = this
3675 
3676  if self.__class__ != Simulator:
3677  _director_objects.register(self)
3678 
3679 
3680 
3681 
3682  def simulate(self, time_in_fs):
3683  """simulate(Simulator self, double time_in_fs) -> double"""
3684  return _IMP_atom.Simulator_simulate(self, time_in_fs)
3685 
3686 
3687  def simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3688  """
3689  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3690  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3691  simulate_wave(Simulator self, double time_in_fs) -> double
3692  """
3693  return _IMP_atom.Simulator_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3694 
3695 
3696  def get_temperature(self):
3697  """get_temperature(Simulator self) -> double"""
3698  return _IMP_atom.Simulator_get_temperature(self)
3699 
3700 
3701  def set_temperature(self, d):
3702  """set_temperature(Simulator self, double d)"""
3703  return _IMP_atom.Simulator_set_temperature(self, d)
3704 
3705 
3706  def set_maximum_time_step(self, ts):
3707  """set_maximum_time_step(Simulator self, double ts)"""
3708  return _IMP_atom.Simulator_set_maximum_time_step(self, ts)
3709 
3710 
3711  def get_maximum_time_step(self):
3712  """get_maximum_time_step(Simulator self) -> double"""
3713  return _IMP_atom.Simulator_get_maximum_time_step(self)
3714 
3715 
3716  def get_last_time_step(self):
3717  """get_last_time_step(Simulator self) -> double"""
3718  return _IMP_atom.Simulator_get_last_time_step(self)
3719 
3720 
3721  def set_time_step(self, ts):
3722  """set_time_step(Simulator self, double ts)"""
3723  return _IMP_atom.Simulator_set_time_step(self, ts)
3724 
3725 
3726  def get_kt(self):
3727  """get_kt(Simulator self) -> double"""
3728  return _IMP_atom.Simulator_get_kt(self)
3729 
3730 
3731  def get_current_time(self):
3732  """get_current_time(Simulator self) -> double"""
3733  return _IMP_atom.Simulator_get_current_time(self)
3734 
3735 
3736  def set_current_time(self, ct):
3737  """set_current_time(Simulator self, double ct)"""
3738  return _IMP_atom.Simulator_set_current_time(self, ct)
3739 
3740 
3741  def get_simulation_particles(self):
3742  """get_simulation_particles(Simulator self) -> IMP::ParticlesTemp"""
3743  return _IMP_atom.Simulator_get_simulation_particles(self)
3744 
3745 
3746  def get_simulation_particle_indexes(self):
3747  """get_simulation_particle_indexes(Simulator self) -> IMP::ParticleIndexes"""
3748  return _IMP_atom.Simulator_get_simulation_particle_indexes(self)
3749 
3750 
3751  def remove_particle(self, d):
3752  """remove_particle(Simulator self, Particle d)"""
3753  return _IMP_atom.Simulator_remove_particle(self, d)
3754 
3755 
3756  def remove_particles(self, d):
3757  """remove_particles(Simulator self, IMP::Particles const & d)"""
3758  return _IMP_atom.Simulator_remove_particles(self, d)
3759 
3760 
3761  def set_particles(self, ps):
3762  """set_particles(Simulator self, IMP::Particles const & ps)"""
3763  return _IMP_atom.Simulator_set_particles(self, ps)
3764 
3765 
3766  def set_particles_order(self, objs):
3767  """set_particles_order(Simulator self, IMP::Particles const & objs)"""
3768  return _IMP_atom.Simulator_set_particles_order(self, objs)
3769 
3770 
3771  def add_particle(self, obj):
3772  """add_particle(Simulator self, Particle obj) -> unsigned int"""
3773  return _IMP_atom.Simulator_add_particle(self, obj)
3774 
3775 
3776  def add_particles(self, objs):
3777  """add_particles(Simulator self, IMP::Particles const & objs)"""
3778  return _IMP_atom.Simulator_add_particles(self, objs)
3779 
3780 
3781  def clear_particles(self):
3782  """clear_particles(Simulator self)"""
3783  return _IMP_atom.Simulator_clear_particles(self)
3784 
3785 
3786  def get_number_of_particles(self):
3787  """get_number_of_particles(Simulator self) -> unsigned int"""
3788  return _IMP_atom.Simulator_get_number_of_particles(self)
3789 
3790 
3791  def get_has_particles(self):
3792  """get_has_particles(Simulator self) -> bool"""
3793  return _IMP_atom.Simulator_get_has_particles(self)
3794 
3795 
3796  def get_particle(self, i):
3797  """get_particle(Simulator self, unsigned int i) -> Particle"""
3798  return _IMP_atom.Simulator_get_particle(self, i)
3799 
3800 
3801  def get_particles(self):
3802  """get_particles(Simulator self) -> IMP::Particles"""
3803  return _IMP_atom.Simulator_get_particles(self)
3804 
3805 
3806  def reserve_particles(self, sz):
3807  """reserve_particles(Simulator self, unsigned int sz)"""
3808  return _IMP_atom.Simulator_reserve_particles(self, sz)
3809 
3810 
3811  def do_optimize(self, max_steps):
3812  """do_optimize(Simulator self, unsigned int max_steps) -> IMP::Float"""
3813  return _IMP_atom.Simulator_do_optimize(self, max_steps)
3814 
3815 
3816  def setup(self, arg0):
3817  """setup(Simulator self, IMP::ParticleIndexes const & arg0)"""
3818  return _IMP_atom.Simulator_setup(self, arg0)
3819 
3820 
3821  def do_step(self, sc, dt):
3822  """do_step(Simulator self, IMP::ParticleIndexes const & sc, double dt) -> double"""
3823  return _IMP_atom.Simulator_do_step(self, sc, dt)
3824 
3825 
3826  def get_is_simulation_particle(self, p):
3827  """get_is_simulation_particle(Simulator self, ParticleIndex p) -> bool"""
3828  return _IMP_atom.Simulator_get_is_simulation_particle(self, p)
3829 
3830 
3831  def do_simulate(self, time):
3832  """do_simulate(Simulator self, double time) -> double"""
3833  return _IMP_atom.Simulator_do_simulate(self, time)
3834 
3835 
3836  def do_simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3837  """
3838  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3839  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3840  do_simulate_wave(Simulator self, double time_in_fs) -> double
3841  """
3842  return _IMP_atom.Simulator_do_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3843 
3844 
3845  def __str__(self):
3846  """__str__(Simulator self) -> std::string"""
3847  return _IMP_atom.Simulator___str__(self)
3848 
3849 
3850  def __repr__(self):
3851  """__repr__(Simulator self) -> std::string"""
3852  return _IMP_atom.Simulator___repr__(self)
3853 
3854 
3855  @staticmethod
3856  def get_from(o):
3857  return _object_cast_to_Simulator(o)
3858 
3859 
3860  def get_type_name(self):
3861  return self.__class__.__name__
3862  def do_show(self, out):
3863  pass
3864  def get_version_info(self):
3865  if"IMP::atom" == "IMP":
3866  return VersionInfo(self.__module__,
3867  __import__(self.__module__).get_module_version())
3868  else:
3869  return IMP.VersionInfo(self.__module__,
3870  __import__(self.__module__).get_module_version())
3871  @staticmethod
3872  def get_from(o):
3873  return _object_cast_to_Simulator(o)
3874 
3875  __swig_destroy__ = _IMP_atom.delete_Simulator
3876  __del__ = lambda self: None
3877  def __disown__(self):
3878  self.this.disown()
3879  _IMP_atom.disown_Simulator(self)
3880  return weakref_proxy(self)
3881 
3882  def do_destroy(self):
3883  """do_destroy(Simulator self)"""
3884  return _IMP_atom.Simulator_do_destroy(self)
3885 
3886 
3887  def handle_set_has_required_score_states(self, arg0):
3888  """handle_set_has_required_score_states(Simulator self, bool arg0)"""
3889  return _IMP_atom.Simulator_handle_set_has_required_score_states(self, arg0)
3890 
3891 
3892  def do_get_inputs(self):
3893  """do_get_inputs(Simulator self) -> IMP::ModelObjectsTemp"""
3894  return _IMP_atom.Simulator_do_get_inputs(self)
3895 
3896 
3897  def do_get_outputs(self):
3898  """do_get_outputs(Simulator self) -> IMP::ModelObjectsTemp"""
3899  return _IMP_atom.Simulator_do_get_outputs(self)
3900 
3901 
3902  def do_get_interactions(self):
3903  """do_get_interactions(Simulator self) -> IMP::ModelObjectsTemps"""
3904  return _IMP_atom.Simulator_do_get_interactions(self)
3905 
3906 Simulator_swigregister = _IMP_atom.Simulator_swigregister
3907 Simulator_swigregister(Simulator)
3908 
3909 
3910 _IMP_atom.IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE_swigconstant(_IMP_atom)
3911 IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE = _IMP_atom.IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE
3912 class BrownianDynamics(Simulator):
3913  """Proxy of C++ IMP::atom::BrownianDynamics class"""
3914  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3915 
3916  def __init__(self, *args):
3917  """
3918  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0, unsigned int random_pool_size=10000) -> BrownianDynamics
3919  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamics
3920  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name) -> BrownianDynamics
3921  __init__(IMP::atom::BrownianDynamics self, Model m) -> BrownianDynamics
3922  """
3923  this = _IMP_atom.new_BrownianDynamics(*args)
3924  try:
3925  self.this.append(this)
3926  except:
3927  self.this = this
3928 
3929  def set_maximum_move(self, ms_in_A):
3930  """set_maximum_move(BrownianDynamics self, double ms_in_A)"""
3931  return _IMP_atom.BrownianDynamics_set_maximum_move(self, ms_in_A)
3932 
3933 
3934  def set_use_stochastic_runge_kutta(self, tf):
3935  """set_use_stochastic_runge_kutta(BrownianDynamics self, bool tf)"""
3936  return _IMP_atom.BrownianDynamics_set_use_stochastic_runge_kutta(self, tf)
3937 
3938 
3939  def get_version_info(self):
3940  """get_version_info(BrownianDynamics self) -> VersionInfo"""
3941  return _IMP_atom.BrownianDynamics_get_version_info(self)
3942 
3943 
3944  def __str__(self):
3945  """__str__(BrownianDynamics self) -> std::string"""
3946  return _IMP_atom.BrownianDynamics___str__(self)
3947 
3948 
3949  def __repr__(self):
3950  """__repr__(BrownianDynamics self) -> std::string"""
3951  return _IMP_atom.BrownianDynamics___repr__(self)
3952 
3953 
3954  @staticmethod
3955  def get_from(o):
3956  return _object_cast_to_BrownianDynamics(o)
3957 
3958 BrownianDynamics_swigregister = _IMP_atom.BrownianDynamics_swigregister
3959 BrownianDynamics_swigregister(BrownianDynamics)
3960 
3961 
3963  """get_maximum_time_step_estimate(BrownianDynamics bd) -> double"""
3964  return _IMP_atom.get_maximum_time_step_estimate(bd)
3965 
3966 def get_harmonic_sigma(D, f):
3967  """get_harmonic_sigma(double D, double f) -> double"""
3968  return _IMP_atom.get_harmonic_sigma(D, f)
3969 class BrownianDynamicsTAMD(BrownianDynamics):
3970  """Proxy of C++ IMP::atom::BrownianDynamicsTAMD class"""
3971  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3972 
3973  def __init__(self, *args):
3974  """
3975  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamicsTAMD
3976  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name) -> BrownianDynamicsTAMD
3977  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m) -> BrownianDynamicsTAMD
3978  """
3979  this = _IMP_atom.new_BrownianDynamicsTAMD(*args)
3980  try:
3981  self.this.append(this)
3982  except:
3983  self.this = this
3984 
3985  def __str__(self):
3986  """__str__(BrownianDynamicsTAMD self) -> std::string"""
3987  return _IMP_atom.BrownianDynamicsTAMD___str__(self)
3988 
3989 
3990  def __repr__(self):
3991  """__repr__(BrownianDynamicsTAMD self) -> std::string"""
3992  return _IMP_atom.BrownianDynamicsTAMD___repr__(self)
3993 
3994 
3995  @staticmethod
3996  def get_from(o):
3997  return _object_cast_to_BrownianDynamicsTAMD(o)
3998 
3999  __swig_destroy__ = _IMP_atom.delete_BrownianDynamicsTAMD
4000  __del__ = lambda self: None
4001 BrownianDynamicsTAMD_swigregister = _IMP_atom.BrownianDynamicsTAMD_swigregister
4002 BrownianDynamicsTAMD_swigregister(BrownianDynamicsTAMD)
4003 
4004 class Diffusion(IMP.core.XYZ):
4005  """Proxy of C++ IMP::atom::Diffusion class"""
4006  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4007 
4008  def __init__(self, *args):
4009  """
4010  __init__(IMP::atom::Diffusion self) -> Diffusion
4011  __init__(IMP::atom::Diffusion self, Model m, ParticleIndex id) -> Diffusion
4012  __init__(IMP::atom::Diffusion self, _ParticleAdaptor d) -> Diffusion
4013  """
4014  this = _IMP_atom.new_Diffusion(*args)
4015  try:
4016  self.this.append(this)
4017  except:
4018  self.this = this
4019 
4020  def show(self, *args):
4021  """
4022  show(Diffusion self, _ostream out)
4023  show(Diffusion self)
4024  """
4025  return _IMP_atom.Diffusion_show(self, *args)
4026 
4027 
4028  def setup_particle(*args):
4029  """
4030  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
4031  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
4032  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
4033  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
4034  setup_particle(Model m, ParticleIndex pi) -> Diffusion
4035  setup_particle(_ParticleAdaptor decorator) -> Diffusion
4036  """
4037  return _IMP_atom.Diffusion_setup_particle(*args)
4038 
4039  setup_particle = staticmethod(setup_particle)
4040 
4041  def get_is_setup(*args):
4042  """
4043  get_is_setup(_ParticleAdaptor p) -> bool
4044  get_is_setup(Model m, ParticleIndex p) -> bool
4045  """
4046  return _IMP_atom.Diffusion_get_is_setup(*args)
4047 
4048  get_is_setup = staticmethod(get_is_setup)
4049 
4050  def set_diffusion_coefficient(self, d):
4051  """set_diffusion_coefficient(Diffusion self, double d)"""
4052  return _IMP_atom.Diffusion_set_diffusion_coefficient(self, d)
4053 
4054 
4055  def get_diffusion_coefficient(self):
4056  """get_diffusion_coefficient(Diffusion self) -> double"""
4057  return _IMP_atom.Diffusion_get_diffusion_coefficient(self)
4058 
4059 
4060  def get_diffusion_coefficient_key():
4061  """get_diffusion_coefficient_key() -> FloatKey"""
4062  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
4063 
4064  get_diffusion_coefficient_key = staticmethod(get_diffusion_coefficient_key)
4065 
4066  def add_attribute(self, *args):
4067  """
4068  add_attribute(Diffusion self, FloatKey k, IMP::Float v, bool opt)
4069  add_attribute(Diffusion self, FloatKey a0, IMP::Float a1)
4070  add_attribute(Diffusion self, IntKey a0, IMP::Int a1)
4071  add_attribute(Diffusion self, FloatsKey a0, IMP::Floats a1)
4072  add_attribute(Diffusion self, IntsKey a0, IMP::Ints a1)
4073  add_attribute(Diffusion self, StringKey a0, IMP::String a1)
4074  add_attribute(Diffusion self, ParticleIndexKey a0, Particle a1)
4075  add_attribute(Diffusion self, ObjectKey a0, Object a1)
4076  """
4077  return _IMP_atom.Diffusion_add_attribute(self, *args)
4078 
4079 
4080  def get_value(self, *args):
4081  """
4082  get_value(Diffusion self, FloatKey a0) -> IMP::Float
4083  get_value(Diffusion self, IntKey a0) -> IMP::Int
4084  get_value(Diffusion self, FloatsKey a0) -> IMP::Floats
4085  get_value(Diffusion self, IntsKey a0) -> IMP::Ints
4086  get_value(Diffusion self, StringKey a0) -> IMP::String
4087  get_value(Diffusion self, ParticleIndexKey a0) -> Particle
4088  get_value(Diffusion self, ObjectKey a0) -> Object
4089  """
4090  return _IMP_atom.Diffusion_get_value(self, *args)
4091 
4092 
4093  def set_value(self, *args):
4094  """
4095  set_value(Diffusion self, FloatKey a0, IMP::Float a1)
4096  set_value(Diffusion self, IntKey a0, IMP::Int a1)
4097  set_value(Diffusion self, FloatsKey a0, IMP::Floats a1)
4098  set_value(Diffusion self, IntsKey a0, IMP::Ints a1)
4099  set_value(Diffusion self, StringKey a0, IMP::String a1)
4100  set_value(Diffusion self, ParticleIndexKey a0, Particle a1)
4101  set_value(Diffusion self, ObjectKey a0, Object a1)
4102  """
4103  return _IMP_atom.Diffusion_set_value(self, *args)
4104 
4105 
4106  def remove_attribute(self, *args):
4107  """
4108  remove_attribute(Diffusion self, FloatKey a0)
4109  remove_attribute(Diffusion self, IntKey a0)
4110  remove_attribute(Diffusion self, FloatsKey a0)
4111  remove_attribute(Diffusion self, IntsKey a0)
4112  remove_attribute(Diffusion self, StringKey a0)
4113  remove_attribute(Diffusion self, ParticleIndexKey a0)
4114  remove_attribute(Diffusion self, ObjectKey a0)
4115  """
4116  return _IMP_atom.Diffusion_remove_attribute(self, *args)
4117 
4118 
4119  def has_attribute(self, *args):
4120  """
4121  has_attribute(Diffusion self, FloatKey a0) -> bool
4122  has_attribute(Diffusion self, IntKey a0) -> bool
4123  has_attribute(Diffusion self, FloatsKey a0) -> bool
4124  has_attribute(Diffusion self, IntsKey a0) -> bool
4125  has_attribute(Diffusion self, StringKey a0) -> bool
4126  has_attribute(Diffusion self, ParticleIndexKey a0) -> bool
4127  has_attribute(Diffusion self, ObjectKey a0) -> bool
4128  """
4129  return _IMP_atom.Diffusion_has_attribute(self, *args)
4130 
4131 
4132  def get_derivative(self, a0):
4133  """get_derivative(Diffusion self, FloatKey a0) -> double"""
4134  return _IMP_atom.Diffusion_get_derivative(self, a0)
4135 
4136 
4137  def get_name(self):
4138  """get_name(Diffusion self) -> std::string"""
4139  return _IMP_atom.Diffusion_get_name(self)
4140 
4141 
4142  def clear_caches(self):
4143  """clear_caches(Diffusion self)"""
4144  return _IMP_atom.Diffusion_clear_caches(self)
4145 
4146 
4147  def set_name(self, a0):
4148  """set_name(Diffusion self, std::string a0)"""
4149  return _IMP_atom.Diffusion_set_name(self, a0)
4150 
4151 
4152  def set_check_level(self, a0):
4153  """set_check_level(Diffusion self, IMP::CheckLevel a0)"""
4154  return _IMP_atom.Diffusion_set_check_level(self, a0)
4155 
4156 
4157  def add_to_derivative(self, a0, a1, a2):
4158  """add_to_derivative(Diffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4159  return _IMP_atom.Diffusion_add_to_derivative(self, a0, a1, a2)
4160 
4161 
4162  def set_is_optimized(self, a0, a1):
4163  """set_is_optimized(Diffusion self, FloatKey a0, bool a1)"""
4164  return _IMP_atom.Diffusion_set_is_optimized(self, a0, a1)
4165 
4166 
4167  def get_is_optimized(self, a0):
4168  """get_is_optimized(Diffusion self, FloatKey a0) -> bool"""
4169  return _IMP_atom.Diffusion_get_is_optimized(self, a0)
4170 
4171 
4172  def get_check_level(self):
4173  """get_check_level(Diffusion self) -> IMP::CheckLevel"""
4174  return _IMP_atom.Diffusion_get_check_level(self)
4175 
4176 
4177  def __eq__(self, *args):
4178  """
4179  __eq__(Diffusion self, Diffusion o) -> bool
4180  __eq__(Diffusion self, Particle d) -> bool
4181  """
4182  return _IMP_atom.Diffusion___eq__(self, *args)
4183 
4184 
4185  def __ne__(self, *args):
4186  """
4187  __ne__(Diffusion self, Diffusion o) -> bool
4188  __ne__(Diffusion self, Particle d) -> bool
4189  """
4190  return _IMP_atom.Diffusion___ne__(self, *args)
4191 
4192 
4193  def __le__(self, *args):
4194  """
4195  __le__(Diffusion self, Diffusion o) -> bool
4196  __le__(Diffusion self, Particle d) -> bool
4197  """
4198  return _IMP_atom.Diffusion___le__(self, *args)
4199 
4200 
4201  def __lt__(self, *args):
4202  """
4203  __lt__(Diffusion self, Diffusion o) -> bool
4204  __lt__(Diffusion self, Particle d) -> bool
4205  """
4206  return _IMP_atom.Diffusion___lt__(self, *args)
4207 
4208 
4209  def __ge__(self, *args):
4210  """
4211  __ge__(Diffusion self, Diffusion o) -> bool
4212  __ge__(Diffusion self, Particle d) -> bool
4213  """
4214  return _IMP_atom.Diffusion___ge__(self, *args)
4215 
4216 
4217  def __gt__(self, *args):
4218  """
4219  __gt__(Diffusion self, Diffusion o) -> bool
4220  __gt__(Diffusion self, Particle d) -> bool
4221  """
4222  return _IMP_atom.Diffusion___gt__(self, *args)
4223 
4224 
4225  def __hash__(self):
4226  """__hash__(Diffusion self) -> std::size_t"""
4227  return _IMP_atom.Diffusion___hash__(self)
4228 
4229 
4230  def __str__(self):
4231  """__str__(Diffusion self) -> std::string"""
4232  return _IMP_atom.Diffusion___str__(self)
4233 
4234 
4235  def __repr__(self):
4236  """__repr__(Diffusion self) -> std::string"""
4237  return _IMP_atom.Diffusion___repr__(self)
4238 
4239  __swig_destroy__ = _IMP_atom.delete_Diffusion
4240  __del__ = lambda self: None
4241 Diffusion_swigregister = _IMP_atom.Diffusion_swigregister
4242 Diffusion_swigregister(Diffusion)
4243 
4244 def Diffusion_setup_particle(*args):
4245  """
4246  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
4247  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
4248  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
4249  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
4250  setup_particle(Model m, ParticleIndex pi) -> Diffusion
4251  Diffusion_setup_particle(_ParticleAdaptor decorator) -> Diffusion
4252  """
4253  return _IMP_atom.Diffusion_setup_particle(*args)
4254 
4255 def Diffusion_get_is_setup(*args):
4256  """
4257  get_is_setup(_ParticleAdaptor p) -> bool
4258  Diffusion_get_is_setup(Model m, ParticleIndex p) -> bool
4259  """
4260  return _IMP_atom.Diffusion_get_is_setup(*args)
4261 
4262 def Diffusion_get_diffusion_coefficient_key():
4263  """Diffusion_get_diffusion_coefficient_key() -> FloatKey"""
4264  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
4265 
4266 
4267 def get_diffusion_coefficient_from_cm2_per_second(din):
4268  """get_diffusion_coefficient_from_cm2_per_second(double din) -> double"""
4269  return _IMP_atom.get_diffusion_coefficient_from_cm2_per_second(din)
4270 class RigidBodyDiffusion(Diffusion):
4271  """Proxy of C++ IMP::atom::RigidBodyDiffusion class"""
4272  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4273 
4274  def __init__(self, *args):
4275  """
4276  __init__(IMP::atom::RigidBodyDiffusion self) -> RigidBodyDiffusion
4277  __init__(IMP::atom::RigidBodyDiffusion self, Model m, ParticleIndex id) -> RigidBodyDiffusion
4278  __init__(IMP::atom::RigidBodyDiffusion self, _ParticleAdaptor d) -> RigidBodyDiffusion
4279  """
4280  this = _IMP_atom.new_RigidBodyDiffusion(*args)
4281  try:
4282  self.this.append(this)
4283  except:
4284  self.this = this
4285 
4286  def show(self, *args):
4287  """
4288  show(RigidBodyDiffusion self, _ostream out)
4289  show(RigidBodyDiffusion self)
4290  """
4291  return _IMP_atom.RigidBodyDiffusion_show(self, *args)
4292 
4293 
4294  def setup_particle(*args):
4295  """
4296  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4297  setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4298  """
4299  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4300 
4301  setup_particle = staticmethod(setup_particle)
4302 
4304  """get_rotational_diffusion_coefficient(RigidBodyDiffusion self) -> double"""
4305  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient(self)
4306 
4307 
4308  def set_rotational_diffusion_coefficient(self, d):
4309  """set_rotational_diffusion_coefficient(RigidBodyDiffusion self, double d)"""
4310  return _IMP_atom.RigidBodyDiffusion_set_rotational_diffusion_coefficient(self, d)
4311 
4312 
4313  def get_is_setup(*args):
4314  """
4315  get_is_setup(_ParticleAdaptor p) -> bool
4316  get_is_setup(Model m, ParticleIndex p) -> bool
4317  """
4318  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4319 
4320  get_is_setup = staticmethod(get_is_setup)
4321 
4322  def get_rotational_diffusion_coefficient_key():
4323  """get_rotational_diffusion_coefficient_key() -> FloatKey"""
4324  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4325 
4326  get_rotational_diffusion_coefficient_key = staticmethod(get_rotational_diffusion_coefficient_key)
4327 
4328  def add_attribute(self, *args):
4329  """
4330  add_attribute(RigidBodyDiffusion self, FloatKey k, IMP::Float v, bool opt)
4331  add_attribute(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4332  add_attribute(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4333  add_attribute(RigidBodyDiffusion self, FloatsKey a0, IMP::Floats a1)
4334  add_attribute(RigidBodyDiffusion self, IntsKey a0, IMP::Ints a1)
4335  add_attribute(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4336  add_attribute(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4337  add_attribute(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4338  """
4339  return _IMP_atom.RigidBodyDiffusion_add_attribute(self, *args)
4340 
4341 
4342  def get_value(self, *args):
4343  """
4344  get_value(RigidBodyDiffusion self, FloatKey a0) -> IMP::Float
4345  get_value(RigidBodyDiffusion self, IntKey a0) -> IMP::Int
4346  get_value(RigidBodyDiffusion self, FloatsKey a0) -> IMP::Floats
4347  get_value(RigidBodyDiffusion self, IntsKey a0) -> IMP::Ints
4348  get_value(RigidBodyDiffusion self, StringKey a0) -> IMP::String
4349  get_value(RigidBodyDiffusion self, ParticleIndexKey a0) -> Particle
4350  get_value(RigidBodyDiffusion self, ObjectKey a0) -> Object
4351  """
4352  return _IMP_atom.RigidBodyDiffusion_get_value(self, *args)
4353 
4354 
4355  def set_value(self, *args):
4356  """
4357  set_value(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4358  set_value(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4359  set_value(RigidBodyDiffusion self, FloatsKey a0, IMP::Floats a1)
4360  set_value(RigidBodyDiffusion self, IntsKey a0, IMP::Ints a1)
4361  set_value(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4362  set_value(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4363  set_value(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4364  """
4365  return _IMP_atom.RigidBodyDiffusion_set_value(self, *args)
4366 
4367 
4368  def remove_attribute(self, *args):
4369  """
4370  remove_attribute(RigidBodyDiffusion self, FloatKey a0)
4371  remove_attribute(RigidBodyDiffusion self, IntKey a0)
4372  remove_attribute(RigidBodyDiffusion self, FloatsKey a0)
4373  remove_attribute(RigidBodyDiffusion self, IntsKey a0)
4374  remove_attribute(RigidBodyDiffusion self, StringKey a0)
4375  remove_attribute(RigidBodyDiffusion self, ParticleIndexKey a0)
4376  remove_attribute(RigidBodyDiffusion self, ObjectKey a0)
4377  """
4378  return _IMP_atom.RigidBodyDiffusion_remove_attribute(self, *args)
4379 
4380 
4381  def has_attribute(self, *args):
4382  """
4383  has_attribute(RigidBodyDiffusion self, FloatKey a0) -> bool
4384  has_attribute(RigidBodyDiffusion self, IntKey a0) -> bool
4385  has_attribute(RigidBodyDiffusion self, FloatsKey a0) -> bool
4386  has_attribute(RigidBodyDiffusion self, IntsKey a0) -> bool
4387  has_attribute(RigidBodyDiffusion self, StringKey a0) -> bool
4388  has_attribute(RigidBodyDiffusion self, ParticleIndexKey a0) -> bool
4389  has_attribute(RigidBodyDiffusion self, ObjectKey a0) -> bool
4390  """
4391  return _IMP_atom.RigidBodyDiffusion_has_attribute(self, *args)
4392 
4393 
4394  def get_derivative(self, a0):
4395  """get_derivative(RigidBodyDiffusion self, FloatKey a0) -> double"""
4396  return _IMP_atom.RigidBodyDiffusion_get_derivative(self, a0)
4397 
4398 
4399  def get_name(self):
4400  """get_name(RigidBodyDiffusion self) -> std::string"""
4401  return _IMP_atom.RigidBodyDiffusion_get_name(self)
4402 
4403 
4404  def clear_caches(self):
4405  """clear_caches(RigidBodyDiffusion self)"""
4406  return _IMP_atom.RigidBodyDiffusion_clear_caches(self)
4407 
4408 
4409  def set_name(self, a0):
4410  """set_name(RigidBodyDiffusion self, std::string a0)"""
4411  return _IMP_atom.RigidBodyDiffusion_set_name(self, a0)
4412 
4413 
4414  def set_check_level(self, a0):
4415  """set_check_level(RigidBodyDiffusion self, IMP::CheckLevel a0)"""
4416  return _IMP_atom.RigidBodyDiffusion_set_check_level(self, a0)
4417 
4418 
4419  def add_to_derivative(self, a0, a1, a2):
4420  """add_to_derivative(RigidBodyDiffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4421  return _IMP_atom.RigidBodyDiffusion_add_to_derivative(self, a0, a1, a2)
4422 
4423 
4424  def set_is_optimized(self, a0, a1):
4425  """set_is_optimized(RigidBodyDiffusion self, FloatKey a0, bool a1)"""
4426  return _IMP_atom.RigidBodyDiffusion_set_is_optimized(self, a0, a1)
4427 
4428 
4429  def get_is_optimized(self, a0):
4430  """get_is_optimized(RigidBodyDiffusion self, FloatKey a0) -> bool"""
4431  return _IMP_atom.RigidBodyDiffusion_get_is_optimized(self, a0)
4432 
4433 
4434  def get_check_level(self):
4435  """get_check_level(RigidBodyDiffusion self) -> IMP::CheckLevel"""
4436  return _IMP_atom.RigidBodyDiffusion_get_check_level(self)
4437 
4438 
4439  def __eq__(self, *args):
4440  """
4441  __eq__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4442  __eq__(RigidBodyDiffusion self, Particle d) -> bool
4443  """
4444  return _IMP_atom.RigidBodyDiffusion___eq__(self, *args)
4445 
4446 
4447  def __ne__(self, *args):
4448  """
4449  __ne__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4450  __ne__(RigidBodyDiffusion self, Particle d) -> bool
4451  """
4452  return _IMP_atom.RigidBodyDiffusion___ne__(self, *args)
4453 
4454 
4455  def __le__(self, *args):
4456  """
4457  __le__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4458  __le__(RigidBodyDiffusion self, Particle d) -> bool
4459  """
4460  return _IMP_atom.RigidBodyDiffusion___le__(self, *args)
4461 
4462 
4463  def __lt__(self, *args):
4464  """
4465  __lt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4466  __lt__(RigidBodyDiffusion self, Particle d) -> bool
4467  """
4468  return _IMP_atom.RigidBodyDiffusion___lt__(self, *args)
4469 
4470 
4471  def __ge__(self, *args):
4472  """
4473  __ge__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4474  __ge__(RigidBodyDiffusion self, Particle d) -> bool
4475  """
4476  return _IMP_atom.RigidBodyDiffusion___ge__(self, *args)
4477 
4478 
4479  def __gt__(self, *args):
4480  """
4481  __gt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4482  __gt__(RigidBodyDiffusion self, Particle d) -> bool
4483  """
4484  return _IMP_atom.RigidBodyDiffusion___gt__(self, *args)
4485 
4486 
4487  def __hash__(self):
4488  """__hash__(RigidBodyDiffusion self) -> std::size_t"""
4489  return _IMP_atom.RigidBodyDiffusion___hash__(self)
4490 
4491 
4492  def __str__(self):
4493  """__str__(RigidBodyDiffusion self) -> std::string"""
4494  return _IMP_atom.RigidBodyDiffusion___str__(self)
4495 
4496 
4497  def __repr__(self):
4498  """__repr__(RigidBodyDiffusion self) -> std::string"""
4499  return _IMP_atom.RigidBodyDiffusion___repr__(self)
4500 
4501  __swig_destroy__ = _IMP_atom.delete_RigidBodyDiffusion
4502  __del__ = lambda self: None
4503 RigidBodyDiffusion_swigregister = _IMP_atom.RigidBodyDiffusion_swigregister
4504 RigidBodyDiffusion_swigregister(RigidBodyDiffusion)
4505 
4506 def RigidBodyDiffusion_setup_particle(*args):
4507  """
4508  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4509  RigidBodyDiffusion_setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4510  """
4511  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4512 
4513 def RigidBodyDiffusion_get_is_setup(*args):
4514  """
4515  get_is_setup(_ParticleAdaptor p) -> bool
4516  RigidBodyDiffusion_get_is_setup(Model m, ParticleIndex p) -> bool
4517  """
4518  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4519 
4520 def RigidBodyDiffusion_get_rotational_diffusion_coefficient_key():
4521  """RigidBodyDiffusion_get_rotational_diffusion_coefficient_key() -> FloatKey"""
4522  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4523 
4524 class TAMDParticle(IMP.Decorator):
4525  """Proxy of C++ IMP::atom::TAMDParticle class"""
4526  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4527 
4528  def __init__(self, *args):
4529  """
4530  __init__(IMP::atom::TAMDParticle self) -> TAMDParticle
4531  __init__(IMP::atom::TAMDParticle self, Model m, ParticleIndex id) -> TAMDParticle
4532  __init__(IMP::atom::TAMDParticle self, _ParticleAdaptor d) -> TAMDParticle
4533  """
4534  this = _IMP_atom.new_TAMDParticle(*args)
4535  try:
4536  self.this.append(this)
4537  except:
4538  self.this = this
4539 
4540  def show(self, *args):
4541  """
4542  show(TAMDParticle self, _ostream out)
4543  show(TAMDParticle self)
4544  """
4545  return _IMP_atom.TAMDParticle_show(self, *args)
4546 
4547 
4548  def setup_particle(*args):
4549  """
4550  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4551  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4552  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4553  setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4554  """
4555  return _IMP_atom.TAMDParticle_setup_particle(*args)
4556 
4557  setup_particle = staticmethod(setup_particle)
4558 
4559  def get_is_setup(*args):
4560  """
4561  get_is_setup(_ParticleAdaptor p) -> bool
4562  get_is_setup(Model m, ParticleIndex p) -> bool
4563  """
4564  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4565 
4566  get_is_setup = staticmethod(get_is_setup)
4567 
4568  def get_reference_particle_index(self):
4569  """get_reference_particle_index(TAMDParticle self) -> ParticleIndex"""
4570  return _IMP_atom.TAMDParticle_get_reference_particle_index(self)
4571 
4572 
4573  def set_temperature_scale_factor(self, tsf):
4574  """set_temperature_scale_factor(TAMDParticle self, float tsf)"""
4575  return _IMP_atom.TAMDParticle_set_temperature_scale_factor(self, tsf)
4576 
4577 
4578  def get_temperature_scale_factor(self):
4579  """get_temperature_scale_factor(TAMDParticle self) -> double"""
4580  return _IMP_atom.TAMDParticle_get_temperature_scale_factor(self)
4581 
4582 
4583  def set_friction_scale_factor(self, tsf):
4584  """set_friction_scale_factor(TAMDParticle self, float tsf)"""
4585  return _IMP_atom.TAMDParticle_set_friction_scale_factor(self, tsf)
4586 
4587 
4588  def get_friction_scale_factor(self):
4589  """get_friction_scale_factor(TAMDParticle self) -> double"""
4590  return _IMP_atom.TAMDParticle_get_friction_scale_factor(self)
4591 
4592 
4593  def update_coordinates_from_ref(self):
4594  """update_coordinates_from_ref(TAMDParticle self)"""
4595  return _IMP_atom.TAMDParticle_update_coordinates_from_ref(self)
4596 
4597 
4598  def get_temperature_scale_factor_key():
4599  """get_temperature_scale_factor_key() -> FloatKey"""
4600  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4601 
4602  get_temperature_scale_factor_key = staticmethod(get_temperature_scale_factor_key)
4603 
4604  def get_friction_scale_factor_key():
4605  """get_friction_scale_factor_key() -> FloatKey"""
4606  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4607 
4608  get_friction_scale_factor_key = staticmethod(get_friction_scale_factor_key)
4609 
4610  def get_reference_particle_index_key():
4611  """get_reference_particle_index_key() -> ParticleIndexKey"""
4612  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4613 
4614  get_reference_particle_index_key = staticmethod(get_reference_particle_index_key)
4615 
4616  def add_attribute(self, *args):
4617  """
4618  add_attribute(TAMDParticle self, FloatKey k, IMP::Float v, bool opt)
4619  add_attribute(TAMDParticle self, FloatKey a0, IMP::Float a1)
4620  add_attribute(TAMDParticle self, IntKey a0, IMP::Int a1)
4621  add_attribute(TAMDParticle self, FloatsKey a0, IMP::Floats a1)
4622  add_attribute(TAMDParticle self, IntsKey a0, IMP::Ints a1)
4623  add_attribute(TAMDParticle self, StringKey a0, IMP::String a1)
4624  add_attribute(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4625  add_attribute(TAMDParticle self, ObjectKey a0, Object a1)
4626  """
4627  return _IMP_atom.TAMDParticle_add_attribute(self, *args)
4628 
4629 
4630  def get_value(self, *args):
4631  """
4632  get_value(TAMDParticle self, FloatKey a0) -> IMP::Float
4633  get_value(TAMDParticle self, IntKey a0) -> IMP::Int
4634  get_value(TAMDParticle self, FloatsKey a0) -> IMP::Floats
4635  get_value(TAMDParticle self, IntsKey a0) -> IMP::Ints
4636  get_value(TAMDParticle self, StringKey a0) -> IMP::String
4637  get_value(TAMDParticle self, ParticleIndexKey a0) -> Particle
4638  get_value(TAMDParticle self, ObjectKey a0) -> Object
4639  """
4640  return _IMP_atom.TAMDParticle_get_value(self, *args)
4641 
4642 
4643  def set_value(self, *args):
4644  """
4645  set_value(TAMDParticle self, FloatKey a0, IMP::Float a1)
4646  set_value(TAMDParticle self, IntKey a0, IMP::Int a1)
4647  set_value(TAMDParticle self, FloatsKey a0, IMP::Floats a1)
4648  set_value(TAMDParticle self, IntsKey a0, IMP::Ints a1)
4649  set_value(TAMDParticle self, StringKey a0, IMP::String a1)
4650  set_value(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4651  set_value(TAMDParticle self, ObjectKey a0, Object a1)
4652  """
4653  return _IMP_atom.TAMDParticle_set_value(self, *args)
4654 
4655 
4656  def remove_attribute(self, *args):
4657  """
4658  remove_attribute(TAMDParticle self, FloatKey a0)
4659  remove_attribute(TAMDParticle self, IntKey a0)
4660  remove_attribute(TAMDParticle self, FloatsKey a0)
4661  remove_attribute(TAMDParticle self, IntsKey a0)
4662  remove_attribute(TAMDParticle self, StringKey a0)
4663  remove_attribute(TAMDParticle self, ParticleIndexKey a0)
4664  remove_attribute(TAMDParticle self, ObjectKey a0)
4665  """
4666  return _IMP_atom.TAMDParticle_remove_attribute(self, *args)
4667 
4668 
4669  def has_attribute(self, *args):
4670  """
4671  has_attribute(TAMDParticle self, FloatKey a0) -> bool
4672  has_attribute(TAMDParticle self, IntKey a0) -> bool
4673  has_attribute(TAMDParticle self, FloatsKey a0) -> bool
4674  has_attribute(TAMDParticle self, IntsKey a0) -> bool
4675  has_attribute(TAMDParticle self, StringKey a0) -> bool
4676  has_attribute(TAMDParticle self, ParticleIndexKey a0) -> bool
4677  has_attribute(TAMDParticle self, ObjectKey a0) -> bool
4678  """
4679  return _IMP_atom.TAMDParticle_has_attribute(self, *args)
4680 
4681 
4682  def get_derivative(self, a0):
4683  """get_derivative(TAMDParticle self, FloatKey a0) -> double"""
4684  return _IMP_atom.TAMDParticle_get_derivative(self, a0)
4685 
4686 
4687  def get_name(self):
4688  """get_name(TAMDParticle self) -> std::string"""
4689  return _IMP_atom.TAMDParticle_get_name(self)
4690 
4691 
4692  def clear_caches(self):
4693  """clear_caches(TAMDParticle self)"""
4694  return _IMP_atom.TAMDParticle_clear_caches(self)
4695 
4696 
4697  def set_name(self, a0):
4698  """set_name(TAMDParticle self, std::string a0)"""
4699  return _IMP_atom.TAMDParticle_set_name(self, a0)
4700 
4701 
4702  def set_check_level(self, a0):
4703  """set_check_level(TAMDParticle self, IMP::CheckLevel a0)"""
4704  return _IMP_atom.TAMDParticle_set_check_level(self, a0)
4705 
4706 
4707  def add_to_derivative(self, a0, a1, a2):
4708  """add_to_derivative(TAMDParticle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4709  return _IMP_atom.TAMDParticle_add_to_derivative(self, a0, a1, a2)
4710 
4711 
4712  def set_is_optimized(self, a0, a1):
4713  """set_is_optimized(TAMDParticle self, FloatKey a0, bool a1)"""
4714  return _IMP_atom.TAMDParticle_set_is_optimized(self, a0, a1)
4715 
4716 
4717  def get_is_optimized(self, a0):
4718  """get_is_optimized(TAMDParticle self, FloatKey a0) -> bool"""
4719  return _IMP_atom.TAMDParticle_get_is_optimized(self, a0)
4720 
4721 
4722  def get_check_level(self):
4723  """get_check_level(TAMDParticle self) -> IMP::CheckLevel"""
4724  return _IMP_atom.TAMDParticle_get_check_level(self)
4725 
4726 
4727  def __eq__(self, *args):
4728  """
4729  __eq__(TAMDParticle self, TAMDParticle o) -> bool
4730  __eq__(TAMDParticle self, Particle d) -> bool
4731  """
4732  return _IMP_atom.TAMDParticle___eq__(self, *args)
4733 
4734 
4735  def __ne__(self, *args):
4736  """
4737  __ne__(TAMDParticle self, TAMDParticle o) -> bool
4738  __ne__(TAMDParticle self, Particle d) -> bool
4739  """
4740  return _IMP_atom.TAMDParticle___ne__(self, *args)
4741 
4742 
4743  def __le__(self, *args):
4744  """
4745  __le__(TAMDParticle self, TAMDParticle o) -> bool
4746  __le__(TAMDParticle self, Particle d) -> bool
4747  """
4748  return _IMP_atom.TAMDParticle___le__(self, *args)
4749 
4750 
4751  def __lt__(self, *args):
4752  """
4753  __lt__(TAMDParticle self, TAMDParticle o) -> bool
4754  __lt__(TAMDParticle self, Particle d) -> bool
4755  """
4756  return _IMP_atom.TAMDParticle___lt__(self, *args)
4757 
4758 
4759  def __ge__(self, *args):
4760  """
4761  __ge__(TAMDParticle self, TAMDParticle o) -> bool
4762  __ge__(TAMDParticle self, Particle d) -> bool
4763  """
4764  return _IMP_atom.TAMDParticle___ge__(self, *args)
4765 
4766 
4767  def __gt__(self, *args):
4768  """
4769  __gt__(TAMDParticle self, TAMDParticle o) -> bool
4770  __gt__(TAMDParticle self, Particle d) -> bool
4771  """
4772  return _IMP_atom.TAMDParticle___gt__(self, *args)
4773 
4774 
4775  def __hash__(self):
4776  """__hash__(TAMDParticle self) -> std::size_t"""
4777  return _IMP_atom.TAMDParticle___hash__(self)
4778 
4779 
4780  def __str__(self):
4781  """__str__(TAMDParticle self) -> std::string"""
4782  return _IMP_atom.TAMDParticle___str__(self)
4783 
4784 
4785  def __repr__(self):
4786  """__repr__(TAMDParticle self) -> std::string"""
4787  return _IMP_atom.TAMDParticle___repr__(self)
4788 
4789  __swig_destroy__ = _IMP_atom.delete_TAMDParticle
4790  __del__ = lambda self: None
4791 TAMDParticle_swigregister = _IMP_atom.TAMDParticle_swigregister
4792 TAMDParticle_swigregister(TAMDParticle)
4793 
4794 def TAMDParticle_setup_particle(*args):
4795  """
4796  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4797  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4798  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4799  TAMDParticle_setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4800  """
4801  return _IMP_atom.TAMDParticle_setup_particle(*args)
4802 
4803 def TAMDParticle_get_is_setup(*args):
4804  """
4805  get_is_setup(_ParticleAdaptor p) -> bool
4806  TAMDParticle_get_is_setup(Model m, ParticleIndex p) -> bool
4807  """
4808  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4809 
4810 def TAMDParticle_get_temperature_scale_factor_key():
4811  """TAMDParticle_get_temperature_scale_factor_key() -> FloatKey"""
4812  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4813 
4814 def TAMDParticle_get_friction_scale_factor_key():
4815  """TAMDParticle_get_friction_scale_factor_key() -> FloatKey"""
4816  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4817 
4818 def TAMDParticle_get_reference_particle_index_key():
4819  """TAMDParticle_get_reference_particle_index_key() -> ParticleIndexKey"""
4820  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4821 
4822 class Chain(Hierarchy):
4823  """Proxy of C++ IMP::atom::Chain class"""
4824  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4825 
4826  def __init__(self, *args):
4827  """
4828  __init__(IMP::atom::Chain self) -> Chain
4829  __init__(IMP::atom::Chain self, Model m, ParticleIndex id) -> Chain
4830  __init__(IMP::atom::Chain self, _ParticleAdaptor d) -> Chain
4831  """
4832  this = _IMP_atom.new_Chain(*args)
4833  try:
4834  self.this.append(this)
4835  except:
4836  self.this = this
4837 
4838  def show(self, *args):
4839  """
4840  show(Chain self, _ostream out)
4841  show(Chain self)
4842  """
4843  return _IMP_atom.Chain_show(self, *args)
4844 
4845 
4846  def setup_particle(*args):
4847  """
4848  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
4849  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
4850  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
4851  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
4852  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
4853  setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
4854  """
4855  return _IMP_atom.Chain_setup_particle(*args)
4856 
4857  setup_particle = staticmethod(setup_particle)
4858 
4859  def get_is_setup(*args):
4860  """
4861  get_is_setup(_ParticleAdaptor p) -> bool
4862  get_is_setup(Model m, ParticleIndex pi) -> bool
4863  """
4864  return _IMP_atom.Chain_get_is_setup(*args)
4865 
4866  get_is_setup = staticmethod(get_is_setup)
4867 
4868  def get_id(self):
4869  """get_id(Chain self) -> std::string"""
4870  return _IMP_atom.Chain_get_id(self)
4871 
4872 
4873  def set_id(self, c):
4874  """set_id(Chain self, std::string c)"""
4875  return _IMP_atom.Chain_set_id(self, c)
4876 
4877 
4878  def get_sequence(self):
4879  """get_sequence(Chain self) -> std::string"""
4880  return _IMP_atom.Chain_get_sequence(self)
4881 
4882 
4883  def set_sequence(self, sequence):
4884  """set_sequence(Chain self, std::string sequence)"""
4885  return _IMP_atom.Chain_set_sequence(self, sequence)
4886 
4887 
4888  def get_chain_type(self):
4889  """get_chain_type(Chain self) -> ChainType"""
4890  return _IMP_atom.Chain_get_chain_type(self)
4891 
4892 
4893  def set_chain_type(self, t):
4894  """set_chain_type(Chain self, ChainType t)"""
4895  return _IMP_atom.Chain_set_chain_type(self, t)
4896 
4897 
4898  def get_id_key():
4899  """get_id_key() -> StringKey"""
4900  return _IMP_atom.Chain_get_id_key()
4901 
4902  get_id_key = staticmethod(get_id_key)
4903 
4904  def get_sequence_key():
4905  """get_sequence_key() -> StringKey"""
4906  return _IMP_atom.Chain_get_sequence_key()
4907 
4908  get_sequence_key = staticmethod(get_sequence_key)
4909 
4910  def get_chain_type_key():
4911  """get_chain_type_key() -> IntKey"""
4912  return _IMP_atom.Chain_get_chain_type_key()
4913 
4914  get_chain_type_key = staticmethod(get_chain_type_key)
4915 
4916  def add_attribute(self, *args):
4917  """
4918  add_attribute(Chain self, FloatKey k, IMP::Float v, bool opt)
4919  add_attribute(Chain self, FloatKey a0, IMP::Float a1)
4920  add_attribute(Chain self, IntKey a0, IMP::Int a1)
4921  add_attribute(Chain self, FloatsKey a0, IMP::Floats a1)
4922  add_attribute(Chain self, IntsKey a0, IMP::Ints a1)
4923  add_attribute(Chain self, StringKey a0, IMP::String a1)
4924  add_attribute(Chain self, ParticleIndexKey a0, Particle a1)
4925  add_attribute(Chain self, ObjectKey a0, Object a1)
4926  """
4927  return _IMP_atom.Chain_add_attribute(self, *args)
4928 
4929 
4930  def get_value(self, *args):
4931  """
4932  get_value(Chain self, FloatKey a0) -> IMP::Float
4933  get_value(Chain self, IntKey a0) -> IMP::Int
4934  get_value(Chain self, FloatsKey a0) -> IMP::Floats
4935  get_value(Chain self, IntsKey a0) -> IMP::Ints
4936  get_value(Chain self, StringKey a0) -> IMP::String
4937  get_value(Chain self, ParticleIndexKey a0) -> Particle
4938  get_value(Chain self, ObjectKey a0) -> Object
4939  """
4940  return _IMP_atom.Chain_get_value(self, *args)
4941 
4942 
4943  def set_value(self, *args):
4944  """
4945  set_value(Chain self, FloatKey a0, IMP::Float a1)
4946  set_value(Chain self, IntKey a0, IMP::Int a1)
4947  set_value(Chain self, FloatsKey a0, IMP::Floats a1)
4948  set_value(Chain self, IntsKey a0, IMP::Ints a1)
4949  set_value(Chain self, StringKey a0, IMP::String a1)
4950  set_value(Chain self, ParticleIndexKey a0, Particle a1)
4951  set_value(Chain self, ObjectKey a0, Object a1)
4952  """
4953  return _IMP_atom.Chain_set_value(self, *args)
4954 
4955 
4956  def remove_attribute(self, *args):
4957  """
4958  remove_attribute(Chain self, FloatKey a0)
4959  remove_attribute(Chain self, IntKey a0)
4960  remove_attribute(Chain self, FloatsKey a0)
4961  remove_attribute(Chain self, IntsKey a0)
4962  remove_attribute(Chain self, StringKey a0)
4963  remove_attribute(Chain self, ParticleIndexKey a0)
4964  remove_attribute(Chain self, ObjectKey a0)
4965  """
4966  return _IMP_atom.Chain_remove_attribute(self, *args)
4967 
4968 
4969  def has_attribute(self, *args):
4970  """
4971  has_attribute(Chain self, FloatKey a0) -> bool
4972  has_attribute(Chain self, IntKey a0) -> bool
4973  has_attribute(Chain self, FloatsKey a0) -> bool
4974  has_attribute(Chain self, IntsKey a0) -> bool
4975  has_attribute(Chain self, StringKey a0) -> bool
4976  has_attribute(Chain self, ParticleIndexKey a0) -> bool
4977  has_attribute(Chain self, ObjectKey a0) -> bool
4978  """
4979  return _IMP_atom.Chain_has_attribute(self, *args)
4980 
4981 
4982  def get_derivative(self, a0):
4983  """get_derivative(Chain self, FloatKey a0) -> double"""
4984  return _IMP_atom.Chain_get_derivative(self, a0)
4985 
4986 
4987  def get_name(self):
4988  """get_name(Chain self) -> std::string"""
4989  return _IMP_atom.Chain_get_name(self)
4990 
4991 
4992  def clear_caches(self):
4993  """clear_caches(Chain self)"""
4994  return _IMP_atom.Chain_clear_caches(self)
4995 
4996 
4997  def set_name(self, a0):
4998  """set_name(Chain self, std::string a0)"""
4999  return _IMP_atom.Chain_set_name(self, a0)
5000 
5001 
5002  def set_check_level(self, a0):
5003  """set_check_level(Chain self, IMP::CheckLevel a0)"""
5004  return _IMP_atom.Chain_set_check_level(self, a0)
5005 
5006 
5007  def add_to_derivative(self, a0, a1, a2):
5008  """add_to_derivative(Chain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5009  return _IMP_atom.Chain_add_to_derivative(self, a0, a1, a2)
5010 
5011 
5012  def set_is_optimized(self, a0, a1):
5013  """set_is_optimized(Chain self, FloatKey a0, bool a1)"""
5014  return _IMP_atom.Chain_set_is_optimized(self, a0, a1)
5015 
5016 
5017  def get_is_optimized(self, a0):
5018  """get_is_optimized(Chain self, FloatKey a0) -> bool"""
5019  return _IMP_atom.Chain_get_is_optimized(self, a0)
5020 
5021 
5022  def get_check_level(self):
5023  """get_check_level(Chain self) -> IMP::CheckLevel"""
5024  return _IMP_atom.Chain_get_check_level(self)
5025 
5026 
5027  def __eq__(self, *args):
5028  """
5029  __eq__(Chain self, Chain o) -> bool
5030  __eq__(Chain self, Particle d) -> bool
5031  """
5032  return _IMP_atom.Chain___eq__(self, *args)
5033 
5034 
5035  def __ne__(self, *args):
5036  """
5037  __ne__(Chain self, Chain o) -> bool
5038  __ne__(Chain self, Particle d) -> bool
5039  """
5040  return _IMP_atom.Chain___ne__(self, *args)
5041 
5042 
5043  def __le__(self, *args):
5044  """
5045  __le__(Chain self, Chain o) -> bool
5046  __le__(Chain self, Particle d) -> bool
5047  """
5048  return _IMP_atom.Chain___le__(self, *args)
5049 
5050 
5051  def __lt__(self, *args):
5052  """
5053  __lt__(Chain self, Chain o) -> bool
5054  __lt__(Chain self, Particle d) -> bool
5055  """
5056  return _IMP_atom.Chain___lt__(self, *args)
5057 
5058 
5059  def __ge__(self, *args):
5060  """
5061  __ge__(Chain self, Chain o) -> bool
5062  __ge__(Chain self, Particle d) -> bool
5063  """
5064  return _IMP_atom.Chain___ge__(self, *args)
5065 
5066 
5067  def __gt__(self, *args):
5068  """
5069  __gt__(Chain self, Chain o) -> bool
5070  __gt__(Chain self, Particle d) -> bool
5071  """
5072  return _IMP_atom.Chain___gt__(self, *args)
5073 
5074 
5075  def __hash__(self):
5076  """__hash__(Chain self) -> std::size_t"""
5077  return _IMP_atom.Chain___hash__(self)
5078 
5079 
5080  def __str__(self):
5081  """__str__(Chain self) -> std::string"""
5082  return _IMP_atom.Chain___str__(self)
5083 
5084 
5085  def __repr__(self):
5086  """__repr__(Chain self) -> std::string"""
5087  return _IMP_atom.Chain___repr__(self)
5088 
5089  __swig_destroy__ = _IMP_atom.delete_Chain
5090  __del__ = lambda self: None
5091 Chain_swigregister = _IMP_atom.Chain_swigregister
5092 Chain_swigregister(Chain)
5093 cvar = _IMP_atom.cvar
5094 UnknownChainType = cvar.UnknownChainType
5095 DPolypeptide = cvar.DPolypeptide
5096 LPolypeptide = cvar.LPolypeptide
5097 Polydeoxyribonucleotide = cvar.Polydeoxyribonucleotide
5098 Polyribonucleotide = cvar.Polyribonucleotide
5099 DPolysaccharide = cvar.DPolysaccharide
5100 LPolysaccharide = cvar.LPolysaccharide
5101 Protein = cvar.Protein
5102 DNA = cvar.DNA
5103 RNA = cvar.RNA
5104 
5105 def Chain_setup_particle(*args):
5106  """
5107  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
5108  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
5109  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
5110  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
5111  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
5112  Chain_setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
5113  """
5114  return _IMP_atom.Chain_setup_particle(*args)
5115 
5116 def Chain_get_is_setup(*args):
5117  """
5118  get_is_setup(_ParticleAdaptor p) -> bool
5119  Chain_get_is_setup(Model m, ParticleIndex pi) -> bool
5120  """
5121  return _IMP_atom.Chain_get_is_setup(*args)
5122 
5123 def Chain_get_id_key():
5124  """Chain_get_id_key() -> StringKey"""
5125  return _IMP_atom.Chain_get_id_key()
5126 
5127 def Chain_get_sequence_key():
5128  """Chain_get_sequence_key() -> StringKey"""
5129  return _IMP_atom.Chain_get_sequence_key()
5130 
5131 def Chain_get_chain_type_key():
5132  """Chain_get_chain_type_key() -> IntKey"""
5133  return _IMP_atom.Chain_get_chain_type_key()
5134 
5135 
5136 def get_chain(h):
5137  """get_chain(Hierarchy h) -> Chain"""
5138  return _IMP_atom.get_chain(h)
5139 
5140 def get_chain_id(h):
5141  """get_chain_id(Hierarchy h) -> std::string"""
5142  return _IMP_atom.get_chain_id(h)
5143 class Charged(IMP.core.XYZ):
5144  """Proxy of C++ IMP::atom::Charged class"""
5145  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5146 
5147  def __init__(self, *args):
5148  """
5149  __init__(IMP::atom::Charged self) -> Charged
5150  __init__(IMP::atom::Charged self, Model m, ParticleIndex id) -> Charged
5151  __init__(IMP::atom::Charged self, _ParticleAdaptor d) -> Charged
5152  """
5153  this = _IMP_atom.new_Charged(*args)
5154  try:
5155  self.this.append(this)
5156  except:
5157  self.this = this
5158 
5159  def show(self, *args):
5160  """
5161  show(Charged self, _ostream out)
5162  show(Charged self)
5163  """
5164  return _IMP_atom.Charged_show(self, *args)
5165 
5166 
5167  def setup_particle(*args):
5168  """
5169  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
5170  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
5171  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
5172  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
5173  """
5174  return _IMP_atom.Charged_setup_particle(*args)
5175 
5176  setup_particle = staticmethod(setup_particle)
5177 
5178  def get_charge(self):
5179  """get_charge(Charged self) -> IMP::Float"""
5180  return _IMP_atom.Charged_get_charge(self)
5181 
5182 
5183  def set_charge(self, t):
5184  """set_charge(Charged self, IMP::Float t)"""
5185  return _IMP_atom.Charged_set_charge(self, t)
5186 
5187 
5188  def get_is_setup(*args):
5189  """
5190  get_is_setup(_ParticleAdaptor p) -> bool
5191  get_is_setup(Model m, ParticleIndex pi) -> bool
5192  """
5193  return _IMP_atom.Charged_get_is_setup(*args)
5194 
5195  get_is_setup = staticmethod(get_is_setup)
5196 
5197  def get_charge_key():
5198  """get_charge_key() -> FloatKey"""
5199  return _IMP_atom.Charged_get_charge_key()
5200 
5201  get_charge_key = staticmethod(get_charge_key)
5202 
5203  def add_attribute(self, *args):
5204  """
5205  add_attribute(Charged self, FloatKey k, IMP::Float v, bool opt)
5206  add_attribute(Charged self, FloatKey a0, IMP::Float a1)
5207  add_attribute(Charged self, IntKey a0, IMP::Int a1)
5208  add_attribute(Charged self, FloatsKey a0, IMP::Floats a1)
5209  add_attribute(Charged self, IntsKey a0, IMP::Ints a1)
5210  add_attribute(Charged self, StringKey a0, IMP::String a1)
5211  add_attribute(Charged self, ParticleIndexKey a0, Particle a1)
5212  add_attribute(Charged self, ObjectKey a0, Object a1)
5213  """
5214  return _IMP_atom.Charged_add_attribute(self, *args)
5215 
5216 
5217  def get_value(self, *args):
5218  """
5219  get_value(Charged self, FloatKey a0) -> IMP::Float
5220  get_value(Charged self, IntKey a0) -> IMP::Int
5221  get_value(Charged self, FloatsKey a0) -> IMP::Floats
5222  get_value(Charged self, IntsKey a0) -> IMP::Ints
5223  get_value(Charged self, StringKey a0) -> IMP::String
5224  get_value(Charged self, ParticleIndexKey a0) -> Particle
5225  get_value(Charged self, ObjectKey a0) -> Object
5226  """
5227  return _IMP_atom.Charged_get_value(self, *args)
5228 
5229 
5230  def set_value(self, *args):
5231  """
5232  set_value(Charged self, FloatKey a0, IMP::Float a1)
5233  set_value(Charged self, IntKey a0, IMP::Int a1)
5234  set_value(Charged self, FloatsKey a0, IMP::Floats a1)
5235  set_value(Charged self, IntsKey a0, IMP::Ints a1)
5236  set_value(Charged self, StringKey a0, IMP::String a1)
5237  set_value(Charged self, ParticleIndexKey a0, Particle a1)
5238  set_value(Charged self, ObjectKey a0, Object a1)
5239  """
5240  return _IMP_atom.Charged_set_value(self, *args)
5241 
5242 
5243  def remove_attribute(self, *args):
5244  """
5245  remove_attribute(Charged self, FloatKey a0)
5246  remove_attribute(Charged self, IntKey a0)
5247  remove_attribute(Charged self, FloatsKey a0)
5248  remove_attribute(Charged self, IntsKey a0)
5249  remove_attribute(Charged self, StringKey a0)
5250  remove_attribute(Charged self, ParticleIndexKey a0)
5251  remove_attribute(Charged self, ObjectKey a0)
5252  """
5253  return _IMP_atom.Charged_remove_attribute(self, *args)
5254 
5255 
5256  def has_attribute(self, *args):
5257  """
5258  has_attribute(Charged self, FloatKey a0) -> bool
5259  has_attribute(Charged self, IntKey a0) -> bool
5260  has_attribute(Charged self, FloatsKey a0) -> bool
5261  has_attribute(Charged self, IntsKey a0) -> bool
5262  has_attribute(Charged self, StringKey a0) -> bool
5263  has_attribute(Charged self, ParticleIndexKey a0) -> bool
5264  has_attribute(Charged self, ObjectKey a0) -> bool
5265  """
5266  return _IMP_atom.Charged_has_attribute(self, *args)
5267 
5268 
5269  def get_derivative(self, a0):
5270  """get_derivative(Charged self, FloatKey a0) -> double"""
5271  return _IMP_atom.Charged_get_derivative(self, a0)
5272 
5273 
5274  def get_name(self):
5275  """get_name(Charged self) -> std::string"""
5276  return _IMP_atom.Charged_get_name(self)
5277 
5278 
5279  def clear_caches(self):
5280  """clear_caches(Charged self)"""
5281  return _IMP_atom.Charged_clear_caches(self)
5282 
5283 
5284  def set_name(self, a0):
5285  """set_name(Charged self, std::string a0)"""
5286  return _IMP_atom.Charged_set_name(self, a0)
5287 
5288 
5289  def set_check_level(self, a0):
5290  """set_check_level(Charged self, IMP::CheckLevel a0)"""
5291  return _IMP_atom.Charged_set_check_level(self, a0)
5292 
5293 
5294  def add_to_derivative(self, a0, a1, a2):
5295  """add_to_derivative(Charged self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5296  return _IMP_atom.Charged_add_to_derivative(self, a0, a1, a2)
5297 
5298 
5299  def set_is_optimized(self, a0, a1):
5300  """set_is_optimized(Charged self, FloatKey a0, bool a1)"""
5301  return _IMP_atom.Charged_set_is_optimized(self, a0, a1)
5302 
5303 
5304  def get_is_optimized(self, a0):
5305  """get_is_optimized(Charged self, FloatKey a0) -> bool"""
5306  return _IMP_atom.Charged_get_is_optimized(self, a0)
5307 
5308 
5309  def get_check_level(self):
5310  """get_check_level(Charged self) -> IMP::CheckLevel"""
5311  return _IMP_atom.Charged_get_check_level(self)
5312 
5313 
5314  def __eq__(self, *args):
5315  """
5316  __eq__(Charged self, Charged o) -> bool
5317  __eq__(Charged self, Particle d) -> bool
5318  """
5319  return _IMP_atom.Charged___eq__(self, *args)
5320 
5321 
5322  def __ne__(self, *args):
5323  """
5324  __ne__(Charged self, Charged o) -> bool
5325  __ne__(Charged self, Particle d) -> bool
5326  """
5327  return _IMP_atom.Charged___ne__(self, *args)
5328 
5329 
5330  def __le__(self, *args):
5331  """
5332  __le__(Charged self, Charged o) -> bool
5333  __le__(Charged self, Particle d) -> bool
5334  """
5335  return _IMP_atom.Charged___le__(self, *args)
5336 
5337 
5338  def __lt__(self, *args):
5339  """
5340  __lt__(Charged self, Charged o) -> bool
5341  __lt__(Charged self, Particle d) -> bool
5342  """
5343  return _IMP_atom.Charged___lt__(self, *args)
5344 
5345 
5346  def __ge__(self, *args):
5347  """
5348  __ge__(Charged self, Charged o) -> bool
5349  __ge__(Charged self, Particle d) -> bool
5350  """
5351  return _IMP_atom.Charged___ge__(self, *args)
5352 
5353 
5354  def __gt__(self, *args):
5355  """
5356  __gt__(Charged self, Charged o) -> bool
5357  __gt__(Charged self, Particle d) -> bool
5358  """
5359  return _IMP_atom.Charged___gt__(self, *args)
5360 
5361 
5362  def __hash__(self):
5363  """__hash__(Charged self) -> std::size_t"""
5364  return _IMP_atom.Charged___hash__(self)
5365 
5366 
5367  def __str__(self):
5368  """__str__(Charged self) -> std::string"""
5369  return _IMP_atom.Charged___str__(self)
5370 
5371 
5372  def __repr__(self):
5373  """__repr__(Charged self) -> std::string"""
5374  return _IMP_atom.Charged___repr__(self)
5375 
5376  __swig_destroy__ = _IMP_atom.delete_Charged
5377  __del__ = lambda self: None
5378 Charged_swigregister = _IMP_atom.Charged_swigregister
5379 Charged_swigregister(Charged)
5380 
5381 def Charged_setup_particle(*args):
5382  """
5383  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
5384  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
5385  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
5386  Charged_setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
5387  """
5388  return _IMP_atom.Charged_setup_particle(*args)
5389 
5390 def Charged_get_is_setup(*args):
5391  """
5392  get_is_setup(_ParticleAdaptor p) -> bool
5393  Charged_get_is_setup(Model m, ParticleIndex pi) -> bool
5394  """
5395  return _IMP_atom.Charged_get_is_setup(*args)
5396 
5397 def Charged_get_charge_key():
5398  """Charged_get_charge_key() -> FloatKey"""
5399  return _IMP_atom.Charged_get_charge_key()
5400 
5401 class CoulombPairScore(IMP.PairScore):
5402  """Proxy of C++ IMP::atom::CoulombPairScore class"""
5403  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5404 
5405  def __init__(self, f):
5406  """__init__(IMP::atom::CoulombPairScore self, SmoothingFunction f) -> CoulombPairScore"""
5407  this = _IMP_atom.new_CoulombPairScore(f)
5408  try:
5409  self.this.append(this)
5410  except:
5411  self.this = this
5412 
5413  def set_relative_dielectric(self, relative_dielectric):
5414  """set_relative_dielectric(CoulombPairScore self, double relative_dielectric)"""
5415  return _IMP_atom.CoulombPairScore_set_relative_dielectric(self, relative_dielectric)
5416 
5417 
5418  def get_relative_dielectric(self):
5419  """get_relative_dielectric(CoulombPairScore self) -> double"""
5420  return _IMP_atom.CoulombPairScore_get_relative_dielectric(self)
5421 
5422 
5423  def do_get_inputs(self, m, pis):
5424  """do_get_inputs(CoulombPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5425  return _IMP_atom.CoulombPairScore_do_get_inputs(self, m, pis)
5426 
5427 
5428  def get_version_info(self):
5429  """get_version_info(CoulombPairScore self) -> VersionInfo"""
5430  return _IMP_atom.CoulombPairScore_get_version_info(self)
5431 
5432 
5433  def __str__(self):
5434  """__str__(CoulombPairScore self) -> std::string"""
5435  return _IMP_atom.CoulombPairScore___str__(self)
5436 
5437 
5438  def __repr__(self):
5439  """__repr__(CoulombPairScore self) -> std::string"""
5440  return _IMP_atom.CoulombPairScore___repr__(self)
5441 
5442 
5443  @staticmethod
5444  def get_from(o):
5445  return _object_cast_to_CoulombPairScore(o)
5446 
5447 CoulombPairScore_swigregister = _IMP_atom.CoulombPairScore_swigregister
5448 CoulombPairScore_swigregister(CoulombPairScore)
5449 
5450 class Domain(Hierarchy):
5451  """Proxy of C++ IMP::atom::Domain class"""
5452  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5453 
5454  def set_index_range(self, ir):
5455  """set_index_range(Domain self, IMP::IntRange ir)"""
5456  return _IMP_atom.Domain_set_index_range(self, ir)
5457 
5458 
5459  def get_index_range(self):
5460  """get_index_range(Domain self) -> IMP::IntRange"""
5461  return _IMP_atom.Domain_get_index_range(self)
5462 
5463 
5464  def __init__(self, *args):
5465  """
5466  __init__(IMP::atom::Domain self) -> Domain
5467  __init__(IMP::atom::Domain self, Model m, ParticleIndex id) -> Domain
5468  __init__(IMP::atom::Domain self, _ParticleAdaptor d) -> Domain
5469  """
5470  this = _IMP_atom.new_Domain(*args)
5471  try:
5472  self.this.append(this)
5473  except:
5474  self.this = this
5475 
5476  def get_is_setup(*args):
5477  """
5478  get_is_setup(Model m, ParticleIndex pi) -> bool
5479  get_is_setup(_ParticleAdaptor p) -> bool
5480  """
5481  return _IMP_atom.Domain_get_is_setup(*args)
5482 
5483  get_is_setup = staticmethod(get_is_setup)
5484 
5485  def show(self, *args):
5486  """
5487  show(Domain self, _ostream out)
5488  show(Domain self)
5489  """
5490  return _IMP_atom.Domain_show(self, *args)
5491 
5492 
5493  def setup_particle(*args):
5494  """
5495  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5496  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5497  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5498  setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5499  """
5500  return _IMP_atom.Domain_setup_particle(*args)
5501 
5502  setup_particle = staticmethod(setup_particle)
5503 
5504  def add_attribute(self, *args):
5505  """
5506  add_attribute(Domain self, FloatKey k, IMP::Float v, bool opt)
5507  add_attribute(Domain self, FloatKey a0, IMP::Float a1)
5508  add_attribute(Domain self, IntKey a0, IMP::Int a1)
5509  add_attribute(Domain self, FloatsKey a0, IMP::Floats a1)
5510  add_attribute(Domain self, IntsKey a0, IMP::Ints a1)
5511  add_attribute(Domain self, StringKey a0, IMP::String a1)
5512  add_attribute(Domain self, ParticleIndexKey a0, Particle a1)
5513  add_attribute(Domain self, ObjectKey a0, Object a1)
5514  """
5515  return _IMP_atom.Domain_add_attribute(self, *args)
5516 
5517 
5518  def get_value(self, *args):
5519  """
5520  get_value(Domain self, FloatKey a0) -> IMP::Float
5521  get_value(Domain self, IntKey a0) -> IMP::Int
5522  get_value(Domain self, FloatsKey a0) -> IMP::Floats
5523  get_value(Domain self, IntsKey a0) -> IMP::Ints
5524  get_value(Domain self, StringKey a0) -> IMP::String
5525  get_value(Domain self, ParticleIndexKey a0) -> Particle
5526  get_value(Domain self, ObjectKey a0) -> Object
5527  """
5528  return _IMP_atom.Domain_get_value(self, *args)
5529 
5530 
5531  def set_value(self, *args):
5532  """
5533  set_value(Domain self, FloatKey a0, IMP::Float a1)
5534  set_value(Domain self, IntKey a0, IMP::Int a1)
5535  set_value(Domain self, FloatsKey a0, IMP::Floats a1)
5536  set_value(Domain self, IntsKey a0, IMP::Ints a1)
5537  set_value(Domain self, StringKey a0, IMP::String a1)
5538  set_value(Domain self, ParticleIndexKey a0, Particle a1)
5539  set_value(Domain self, ObjectKey a0, Object a1)
5540  """
5541  return _IMP_atom.Domain_set_value(self, *args)
5542 
5543 
5544  def remove_attribute(self, *args):
5545  """
5546  remove_attribute(Domain self, FloatKey a0)
5547  remove_attribute(Domain self, IntKey a0)
5548  remove_attribute(Domain self, FloatsKey a0)
5549  remove_attribute(Domain self, IntsKey a0)
5550  remove_attribute(Domain self, StringKey a0)
5551  remove_attribute(Domain self, ParticleIndexKey a0)
5552  remove_attribute(Domain self, ObjectKey a0)
5553  """
5554  return _IMP_atom.Domain_remove_attribute(self, *args)
5555 
5556 
5557  def has_attribute(self, *args):
5558  """
5559  has_attribute(Domain self, FloatKey a0) -> bool
5560  has_attribute(Domain self, IntKey a0) -> bool
5561  has_attribute(Domain self, FloatsKey a0) -> bool
5562  has_attribute(Domain self, IntsKey a0) -> bool
5563  has_attribute(Domain self, StringKey a0) -> bool
5564  has_attribute(Domain self, ParticleIndexKey a0) -> bool
5565  has_attribute(Domain self, ObjectKey a0) -> bool
5566  """
5567  return _IMP_atom.Domain_has_attribute(self, *args)
5568 
5569 
5570  def get_derivative(self, a0):
5571  """get_derivative(Domain self, FloatKey a0) -> double"""
5572  return _IMP_atom.Domain_get_derivative(self, a0)
5573 
5574 
5575  def get_name(self):
5576  """get_name(Domain self) -> std::string"""
5577  return _IMP_atom.Domain_get_name(self)
5578 
5579 
5580  def clear_caches(self):
5581  """clear_caches(Domain self)"""
5582  return _IMP_atom.Domain_clear_caches(self)
5583 
5584 
5585  def set_name(self, a0):
5586  """set_name(Domain self, std::string a0)"""
5587  return _IMP_atom.Domain_set_name(self, a0)
5588 
5589 
5590  def set_check_level(self, a0):
5591  """set_check_level(Domain self, IMP::CheckLevel a0)"""
5592  return _IMP_atom.Domain_set_check_level(self, a0)
5593 
5594 
5595  def add_to_derivative(self, a0, a1, a2):
5596  """add_to_derivative(Domain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5597  return _IMP_atom.Domain_add_to_derivative(self, a0, a1, a2)
5598 
5599 
5600  def set_is_optimized(self, a0, a1):
5601  """set_is_optimized(Domain self, FloatKey a0, bool a1)"""
5602  return _IMP_atom.Domain_set_is_optimized(self, a0, a1)
5603 
5604 
5605  def get_is_optimized(self, a0):
5606  """get_is_optimized(Domain self, FloatKey a0) -> bool"""
5607  return _IMP_atom.Domain_get_is_optimized(self, a0)
5608 
5609 
5610  def get_check_level(self):
5611  """get_check_level(Domain self) -> IMP::CheckLevel"""
5612  return _IMP_atom.Domain_get_check_level(self)
5613 
5614 
5615  def __eq__(self, *args):
5616  """
5617  __eq__(Domain self, Domain o) -> bool
5618  __eq__(Domain self, Particle d) -> bool
5619  """
5620  return _IMP_atom.Domain___eq__(self, *args)
5621 
5622 
5623  def __ne__(self, *args):
5624  """
5625  __ne__(Domain self, Domain o) -> bool
5626  __ne__(Domain self, Particle d) -> bool
5627  """
5628  return _IMP_atom.Domain___ne__(self, *args)
5629 
5630 
5631  def __le__(self, *args):
5632  """
5633  __le__(Domain self, Domain o) -> bool
5634  __le__(Domain self, Particle d) -> bool
5635  """
5636  return _IMP_atom.Domain___le__(self, *args)
5637 
5638 
5639  def __lt__(self, *args):
5640  """
5641  __lt__(Domain self, Domain o) -> bool
5642  __lt__(Domain self, Particle d) -> bool
5643  """
5644  return _IMP_atom.Domain___lt__(self, *args)
5645 
5646 
5647  def __ge__(self, *args):
5648  """
5649  __ge__(Domain self, Domain o) -> bool
5650  __ge__(Domain self, Particle d) -> bool
5651  """
5652  return _IMP_atom.Domain___ge__(self, *args)
5653 
5654 
5655  def __gt__(self, *args):
5656  """
5657  __gt__(Domain self, Domain o) -> bool
5658  __gt__(Domain self, Particle d) -> bool
5659  """
5660  return _IMP_atom.Domain___gt__(self, *args)
5661 
5662 
5663  def __hash__(self):
5664  """__hash__(Domain self) -> std::size_t"""
5665  return _IMP_atom.Domain___hash__(self)
5666 
5667 
5668  def __str__(self):
5669  """__str__(Domain self) -> std::string"""
5670  return _IMP_atom.Domain___str__(self)
5671 
5672 
5673  def __repr__(self):
5674  """__repr__(Domain self) -> std::string"""
5675  return _IMP_atom.Domain___repr__(self)
5676 
5677  __swig_destroy__ = _IMP_atom.delete_Domain
5678  __del__ = lambda self: None
5679 Domain_swigregister = _IMP_atom.Domain_swigregister
5680 Domain_swigregister(Domain)
5681 
5682 def Domain_get_is_setup(*args):
5683  """
5684  get_is_setup(Model m, ParticleIndex pi) -> bool
5685  Domain_get_is_setup(_ParticleAdaptor p) -> bool
5686  """
5687  return _IMP_atom.Domain_get_is_setup(*args)
5688 
5689 def Domain_setup_particle(*args):
5690  """
5691  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5692  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5693  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5694  Domain_setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5695  """
5696  return _IMP_atom.Domain_setup_particle(*args)
5697 
5698 class LennardJones(IMP.core.XYZR):
5699  """Proxy of C++ IMP::atom::LennardJones class"""
5700  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5701 
5702  def __init__(self, *args):
5703  """
5704  __init__(IMP::atom::LennardJones self) -> LennardJones
5705  __init__(IMP::atom::LennardJones self, Model m, ParticleIndex id) -> LennardJones
5706  __init__(IMP::atom::LennardJones self, _ParticleAdaptor d) -> LennardJones
5707  """
5708  this = _IMP_atom.new_LennardJones(*args)
5709  try:
5710  self.this.append(this)
5711  except:
5712  self.this = this
5713 
5714  def show(self, *args):
5715  """
5716  show(LennardJones self, _ostream out)
5717  show(LennardJones self)
5718  """
5719  return _IMP_atom.LennardJones_show(self, *args)
5720 
5721 
5722  def setup_particle(*args):
5723  """
5724  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5725  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5726  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5727  setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5728  """
5729  return _IMP_atom.LennardJones_setup_particle(*args)
5730 
5731  setup_particle = staticmethod(setup_particle)
5732 
5733  def get_well_depth(self):
5734  """get_well_depth(LennardJones self) -> IMP::Float"""
5735  return _IMP_atom.LennardJones_get_well_depth(self)
5736 
5737 
5738  def set_well_depth(self, well_depth):
5739  """set_well_depth(LennardJones self, IMP::Float well_depth)"""
5740  return _IMP_atom.LennardJones_set_well_depth(self, well_depth)
5741 
5742 
5743  def get_is_setup(*args):
5744  """
5745  get_is_setup(_ParticleAdaptor p) -> bool
5746  get_is_setup(Model m, ParticleIndex pi) -> bool
5747  """
5748  return _IMP_atom.LennardJones_get_is_setup(*args)
5749 
5750  get_is_setup = staticmethod(get_is_setup)
5751 
5752  def get_well_depth_key():
5753  """get_well_depth_key() -> FloatKey"""
5754  return _IMP_atom.LennardJones_get_well_depth_key()
5755 
5756  get_well_depth_key = staticmethod(get_well_depth_key)
5757 
5758  def add_attribute(self, *args):
5759  """
5760  add_attribute(LennardJones self, FloatKey k, IMP::Float v, bool opt)
5761  add_attribute(LennardJones self, FloatKey a0, IMP::Float a1)
5762  add_attribute(LennardJones self, IntKey a0, IMP::Int a1)
5763  add_attribute(LennardJones self, FloatsKey a0, IMP::Floats a1)
5764  add_attribute(LennardJones self, IntsKey a0, IMP::Ints a1)
5765  add_attribute(LennardJones self, StringKey a0, IMP::String a1)
5766  add_attribute(LennardJones self, ParticleIndexKey a0, Particle a1)
5767  add_attribute(LennardJones self, ObjectKey a0, Object a1)
5768  """
5769  return _IMP_atom.LennardJones_add_attribute(self, *args)
5770 
5771 
5772  def get_value(self, *args):
5773  """
5774  get_value(LennardJones self, FloatKey a0) -> IMP::Float
5775  get_value(LennardJones self, IntKey a0) -> IMP::Int
5776  get_value(LennardJones self, FloatsKey a0) -> IMP::Floats
5777  get_value(LennardJones self, IntsKey a0) -> IMP::Ints
5778  get_value(LennardJones self, StringKey a0) -> IMP::String
5779  get_value(LennardJones self, ParticleIndexKey a0) -> Particle
5780  get_value(LennardJones self, ObjectKey a0) -> Object
5781  """
5782  return _IMP_atom.LennardJones_get_value(self, *args)
5783 
5784 
5785  def set_value(self, *args):
5786  """
5787  set_value(LennardJones self, FloatKey a0, IMP::Float a1)
5788  set_value(LennardJones self, IntKey a0, IMP::Int a1)
5789  set_value(LennardJones self, FloatsKey a0, IMP::Floats a1)
5790  set_value(LennardJones self, IntsKey a0, IMP::Ints a1)
5791  set_value(LennardJones self, StringKey a0, IMP::String a1)
5792  set_value(LennardJones self, ParticleIndexKey a0, Particle a1)
5793  set_value(LennardJones self, ObjectKey a0, Object a1)
5794  """
5795  return _IMP_atom.LennardJones_set_value(self, *args)
5796 
5797 
5798  def remove_attribute(self, *args):
5799  """
5800  remove_attribute(LennardJones self, FloatKey a0)
5801  remove_attribute(LennardJones self, IntKey a0)
5802  remove_attribute(LennardJones self, FloatsKey a0)
5803  remove_attribute(LennardJones self, IntsKey a0)
5804  remove_attribute(LennardJones self, StringKey a0)
5805  remove_attribute(LennardJones self, ParticleIndexKey a0)
5806  remove_attribute(LennardJones self, ObjectKey a0)
5807  """
5808  return _IMP_atom.LennardJones_remove_attribute(self, *args)
5809 
5810 
5811  def has_attribute(self, *args):
5812  """
5813  has_attribute(LennardJones self, FloatKey a0) -> bool
5814  has_attribute(LennardJones self, IntKey a0) -> bool
5815  has_attribute(LennardJones self, FloatsKey a0) -> bool
5816  has_attribute(LennardJones self, IntsKey a0) -> bool
5817  has_attribute(LennardJones self, StringKey a0) -> bool
5818  has_attribute(LennardJones self, ParticleIndexKey a0) -> bool
5819  has_attribute(LennardJones self, ObjectKey a0) -> bool
5820  """
5821  return _IMP_atom.LennardJones_has_attribute(self, *args)
5822 
5823 
5824  def get_derivative(self, a0):
5825  """get_derivative(LennardJones self, FloatKey a0) -> double"""
5826  return _IMP_atom.LennardJones_get_derivative(self, a0)
5827 
5828 
5829  def get_name(self):
5830  """get_name(LennardJones self) -> std::string"""
5831  return _IMP_atom.LennardJones_get_name(self)
5832 
5833 
5834  def clear_caches(self):
5835  """clear_caches(LennardJones self)"""
5836  return _IMP_atom.LennardJones_clear_caches(self)
5837 
5838 
5839  def set_name(self, a0):
5840  """set_name(LennardJones self, std::string a0)"""
5841  return _IMP_atom.LennardJones_set_name(self, a0)
5842 
5843 
5844  def set_check_level(self, a0):
5845  """set_check_level(LennardJones self, IMP::CheckLevel a0)"""
5846  return _IMP_atom.LennardJones_set_check_level(self, a0)
5847 
5848 
5849  def add_to_derivative(self, a0, a1, a2):
5850  """add_to_derivative(LennardJones self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5851  return _IMP_atom.LennardJones_add_to_derivative(self, a0, a1, a2)
5852 
5853 
5854  def set_is_optimized(self, a0, a1):
5855  """set_is_optimized(LennardJones self, FloatKey a0, bool a1)"""
5856  return _IMP_atom.LennardJones_set_is_optimized(self, a0, a1)
5857 
5858 
5859  def get_is_optimized(self, a0):
5860  """get_is_optimized(LennardJones self, FloatKey a0) -> bool"""
5861  return _IMP_atom.LennardJones_get_is_optimized(self, a0)
5862 
5863 
5864  def get_check_level(self):
5865  """get_check_level(LennardJones self) -> IMP::CheckLevel"""
5866  return _IMP_atom.LennardJones_get_check_level(self)
5867 
5868 
5869  def __eq__(self, *args):
5870  """
5871  __eq__(LennardJones self, LennardJones o) -> bool
5872  __eq__(LennardJones self, Particle d) -> bool
5873  """
5874  return _IMP_atom.LennardJones___eq__(self, *args)
5875 
5876 
5877  def __ne__(self, *args):
5878  """
5879  __ne__(LennardJones self, LennardJones o) -> bool
5880  __ne__(LennardJones self, Particle d) -> bool
5881  """
5882  return _IMP_atom.LennardJones___ne__(self, *args)
5883 
5884 
5885  def __le__(self, *args):
5886  """
5887  __le__(LennardJones self, LennardJones o) -> bool
5888  __le__(LennardJones self, Particle d) -> bool
5889  """
5890  return _IMP_atom.LennardJones___le__(self, *args)
5891 
5892 
5893  def __lt__(self, *args):
5894  """
5895  __lt__(LennardJones self, LennardJones o) -> bool
5896  __lt__(LennardJones self, Particle d) -> bool
5897  """
5898  return _IMP_atom.LennardJones___lt__(self, *args)
5899 
5900 
5901  def __ge__(self, *args):
5902  """
5903  __ge__(LennardJones self, LennardJones o) -> bool
5904  __ge__(LennardJones self, Particle d) -> bool
5905  """
5906  return _IMP_atom.LennardJones___ge__(self, *args)
5907 
5908 
5909  def __gt__(self, *args):
5910  """
5911  __gt__(LennardJones self, LennardJones o) -> bool
5912  __gt__(LennardJones self, Particle d) -> bool
5913  """
5914  return _IMP_atom.LennardJones___gt__(self, *args)
5915 
5916 
5917  def __hash__(self):
5918  """__hash__(LennardJones self) -> std::size_t"""
5919  return _IMP_atom.LennardJones___hash__(self)
5920 
5921 
5922  def __str__(self):
5923  """__str__(LennardJones self) -> std::string"""
5924  return _IMP_atom.LennardJones___str__(self)
5925 
5926 
5927  def __repr__(self):
5928  """__repr__(LennardJones self) -> std::string"""
5929  return _IMP_atom.LennardJones___repr__(self)
5930 
5931  __swig_destroy__ = _IMP_atom.delete_LennardJones
5932  __del__ = lambda self: None
5933 LennardJones_swigregister = _IMP_atom.LennardJones_swigregister
5934 LennardJones_swigregister(LennardJones)
5935 
5936 def LennardJones_setup_particle(*args):
5937  """
5938  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5939  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5940  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5941  LennardJones_setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5942  """
5943  return _IMP_atom.LennardJones_setup_particle(*args)
5944 
5945 def LennardJones_get_is_setup(*args):
5946  """
5947  get_is_setup(_ParticleAdaptor p) -> bool
5948  LennardJones_get_is_setup(Model m, ParticleIndex pi) -> bool
5949  """
5950  return _IMP_atom.LennardJones_get_is_setup(*args)
5951 
5952 def LennardJones_get_well_depth_key():
5953  """LennardJones_get_well_depth_key() -> FloatKey"""
5954  return _IMP_atom.LennardJones_get_well_depth_key()
5955 
5956 class LennardJonesPairScore(IMP.PairScore):
5957  """Proxy of C++ IMP::atom::LennardJonesPairScore class"""
5958  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5959 
5960  def __init__(self, f):
5961  """__init__(IMP::atom::LennardJonesPairScore self, SmoothingFunction f) -> LennardJonesPairScore"""
5962  this = _IMP_atom.new_LennardJonesPairScore(f)
5963  try:
5964  self.this.append(this)
5965  except:
5966  self.this = this
5967 
5968  def set_repulsive_weight(self, repulsive_weight):
5969  """set_repulsive_weight(LennardJonesPairScore self, double repulsive_weight)"""
5970  return _IMP_atom.LennardJonesPairScore_set_repulsive_weight(self, repulsive_weight)
5971 
5972 
5973  def get_repulsive_weight(self):
5974  """get_repulsive_weight(LennardJonesPairScore self) -> double"""
5975  return _IMP_atom.LennardJonesPairScore_get_repulsive_weight(self)
5976 
5977 
5978  def set_attractive_weight(self, attractive_weight):
5979  """set_attractive_weight(LennardJonesPairScore self, double attractive_weight)"""
5980  return _IMP_atom.LennardJonesPairScore_set_attractive_weight(self, attractive_weight)
5981 
5982 
5983  def get_attractive_weight(self):
5984  """get_attractive_weight(LennardJonesPairScore self) -> double"""
5985  return _IMP_atom.LennardJonesPairScore_get_attractive_weight(self)
5986 
5987 
5988  def do_get_inputs(self, m, pis):
5989  """do_get_inputs(LennardJonesPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5990  return _IMP_atom.LennardJonesPairScore_do_get_inputs(self, m, pis)
5991 
5992 
5993  def get_version_info(self):
5994  """get_version_info(LennardJonesPairScore self) -> VersionInfo"""
5995  return _IMP_atom.LennardJonesPairScore_get_version_info(self)
5996 
5997 
5998  def __str__(self):
5999  """__str__(LennardJonesPairScore self) -> std::string"""
6000  return _IMP_atom.LennardJonesPairScore___str__(self)
6001 
6002 
6003  def __repr__(self):
6004  """__repr__(LennardJonesPairScore self) -> std::string"""
6005  return _IMP_atom.LennardJonesPairScore___repr__(self)
6006 
6007 
6008  @staticmethod
6009  def get_from(o):
6010  return _object_cast_to_LennardJonesPairScore(o)
6011 
6012 LennardJonesPairScore_swigregister = _IMP_atom.LennardJonesPairScore_swigregister
6013 LennardJonesPairScore_swigregister(LennardJonesPairScore)
6014 
6015 class LinearVelocity(IMP.Decorator):
6016  """Proxy of C++ IMP::atom::LinearVelocity class"""
6017  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6018 
6019  def __init__(self, *args):
6020  """
6021  __init__(IMP::atom::LinearVelocity self) -> LinearVelocity
6022  __init__(IMP::atom::LinearVelocity self, Model m, ParticleIndex id) -> LinearVelocity
6023  __init__(IMP::atom::LinearVelocity self, _ParticleAdaptor d) -> LinearVelocity
6024  """
6025  this = _IMP_atom.new_LinearVelocity(*args)
6026  try:
6027  self.this.append(this)
6028  except:
6029  self.this = this
6030 
6031  def get_is_setup(*args):
6032  """
6033  get_is_setup(Model m, ParticleIndex pi) -> bool
6034  get_is_setup(_ParticleAdaptor p) -> bool
6035  """
6036  return _IMP_atom.LinearVelocity_get_is_setup(*args)
6037 
6038  get_is_setup = staticmethod(get_is_setup)
6039 
6040  def show(self, *args):
6041  """
6042  show(LinearVelocity self, _ostream out)
6043  show(LinearVelocity self)
6044  """
6045  return _IMP_atom.LinearVelocity_show(self, *args)
6046 
6047 
6048  def setup_particle(*args):
6049  """
6050  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
6051  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
6052  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
6053  setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
6054  """
6055  return _IMP_atom.LinearVelocity_setup_particle(*args)
6056 
6057  setup_particle = staticmethod(setup_particle)
6058 
6059  def set_velocity(self, v):
6060  """set_velocity(LinearVelocity self, Vector3D v)"""
6061  return _IMP_atom.LinearVelocity_set_velocity(self, v)
6062 
6063 
6064  def get_velocity(self):
6065  """get_velocity(LinearVelocity self) -> Vector3D"""
6066  return _IMP_atom.LinearVelocity_get_velocity(self)
6067 
6068 
6069  def add_attribute(self, *args):
6070  """
6071  add_attribute(LinearVelocity self, FloatKey k, IMP::Float v, bool opt)
6072  add_attribute(LinearVelocity self, FloatKey a0, IMP::Float a1)
6073  add_attribute(LinearVelocity self, IntKey a0, IMP::Int a1)
6074  add_attribute(LinearVelocity self, FloatsKey a0, IMP::Floats a1)
6075  add_attribute(LinearVelocity self, IntsKey a0, IMP::Ints a1)
6076  add_attribute(LinearVelocity self, StringKey a0, IMP::String a1)
6077  add_attribute(LinearVelocity self, ParticleIndexKey a0, Particle a1)
6078  add_attribute(LinearVelocity self, ObjectKey a0, Object a1)
6079  """
6080  return _IMP_atom.LinearVelocity_add_attribute(self, *args)
6081 
6082 
6083  def get_value(self, *args):
6084  """
6085  get_value(LinearVelocity self, FloatKey a0) -> IMP::Float
6086  get_value(LinearVelocity self, IntKey a0) -> IMP::Int
6087  get_value(LinearVelocity self, FloatsKey a0) -> IMP::Floats
6088  get_value(LinearVelocity self, IntsKey a0) -> IMP::Ints
6089  get_value(LinearVelocity self, StringKey a0) -> IMP::String
6090  get_value(LinearVelocity self, ParticleIndexKey a0) -> Particle
6091  get_value(LinearVelocity self, ObjectKey a0) -> Object
6092  """
6093  return _IMP_atom.LinearVelocity_get_value(self, *args)
6094 
6095 
6096  def set_value(self, *args):
6097  """
6098  set_value(LinearVelocity self, FloatKey a0, IMP::Float a1)
6099  set_value(LinearVelocity self, IntKey a0, IMP::Int a1)
6100  set_value(LinearVelocity self, FloatsKey a0, IMP::Floats a1)
6101  set_value(LinearVelocity self, IntsKey a0, IMP::Ints a1)
6102  set_value(LinearVelocity self, StringKey a0, IMP::String a1)
6103  set_value(LinearVelocity self, ParticleIndexKey a0, Particle a1)
6104  set_value(LinearVelocity self, ObjectKey a0, Object a1)
6105  """
6106  return _IMP_atom.LinearVelocity_set_value(self, *args)
6107 
6108 
6109  def remove_attribute(self, *args):
6110  """
6111  remove_attribute(LinearVelocity self, FloatKey a0)
6112  remove_attribute(LinearVelocity self, IntKey a0)
6113  remove_attribute(LinearVelocity self, FloatsKey a0)
6114  remove_attribute(LinearVelocity self, IntsKey a0)
6115  remove_attribute(LinearVelocity self, StringKey a0)
6116  remove_attribute(LinearVelocity self, ParticleIndexKey a0)
6117  remove_attribute(LinearVelocity self, ObjectKey a0)
6118  """
6119  return _IMP_atom.LinearVelocity_remove_attribute(self, *args)
6120 
6121 
6122  def has_attribute(self, *args):
6123  """
6124  has_attribute(LinearVelocity self, FloatKey a0) -> bool
6125  has_attribute(LinearVelocity self, IntKey a0) -> bool
6126  has_attribute(LinearVelocity self, FloatsKey a0) -> bool
6127  has_attribute(LinearVelocity self, IntsKey a0) -> bool
6128  has_attribute(LinearVelocity self, StringKey a0) -> bool
6129  has_attribute(LinearVelocity self, ParticleIndexKey a0) -> bool
6130  has_attribute(LinearVelocity self, ObjectKey a0) -> bool
6131  """
6132  return _IMP_atom.LinearVelocity_has_attribute(self, *args)
6133 
6134 
6135  def get_derivative(self, a0):
6136  """get_derivative(LinearVelocity self, FloatKey a0) -> double"""
6137  return _IMP_atom.LinearVelocity_get_derivative(self, a0)
6138 
6139 
6140  def get_name(self):
6141  """get_name(LinearVelocity self) -> std::string"""
6142  return _IMP_atom.LinearVelocity_get_name(self)
6143 
6144 
6145  def clear_caches(self):
6146  """clear_caches(LinearVelocity self)"""
6147  return _IMP_atom.LinearVelocity_clear_caches(self)
6148 
6149 
6150  def set_name(self, a0):
6151  """set_name(LinearVelocity self, std::string a0)"""
6152  return _IMP_atom.LinearVelocity_set_name(self, a0)
6153 
6154 
6155  def set_check_level(self, a0):
6156  """set_check_level(LinearVelocity self, IMP::CheckLevel a0)"""
6157  return _IMP_atom.LinearVelocity_set_check_level(self, a0)
6158 
6159 
6160  def add_to_derivative(self, a0, a1, a2):
6161  """add_to_derivative(LinearVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6162  return _IMP_atom.LinearVelocity_add_to_derivative(self, a0, a1, a2)
6163 
6164 
6165  def set_is_optimized(self, a0, a1):
6166  """set_is_optimized(LinearVelocity self, FloatKey a0, bool a1)"""
6167  return _IMP_atom.LinearVelocity_set_is_optimized(self, a0, a1)
6168 
6169 
6170  def get_is_optimized(self, a0):
6171  """get_is_optimized(LinearVelocity self, FloatKey a0) -> bool"""
6172  return _IMP_atom.LinearVelocity_get_is_optimized(self, a0)
6173 
6174 
6175  def get_check_level(self):
6176  """get_check_level(LinearVelocity self) -> IMP::CheckLevel"""
6177  return _IMP_atom.LinearVelocity_get_check_level(self)
6178 
6179 
6180  def __eq__(self, *args):
6181  """
6182  __eq__(LinearVelocity self, LinearVelocity o) -> bool
6183  __eq__(LinearVelocity self, Particle d) -> bool
6184  """
6185  return _IMP_atom.LinearVelocity___eq__(self, *args)
6186 
6187 
6188  def __ne__(self, *args):
6189  """
6190  __ne__(LinearVelocity self, LinearVelocity o) -> bool
6191  __ne__(LinearVelocity self, Particle d) -> bool
6192  """
6193  return _IMP_atom.LinearVelocity___ne__(self, *args)
6194 
6195 
6196  def __le__(self, *args):
6197  """
6198  __le__(LinearVelocity self, LinearVelocity o) -> bool
6199  __le__(LinearVelocity self, Particle d) -> bool
6200  """
6201  return _IMP_atom.LinearVelocity___le__(self, *args)
6202 
6203 
6204  def __lt__(self, *args):
6205  """
6206  __lt__(LinearVelocity self, LinearVelocity o) -> bool
6207  __lt__(LinearVelocity self, Particle d) -> bool
6208  """
6209  return _IMP_atom.LinearVelocity___lt__(self, *args)
6210 
6211 
6212  def __ge__(self, *args):
6213  """
6214  __ge__(LinearVelocity self, LinearVelocity o) -> bool
6215  __ge__(LinearVelocity self, Particle d) -> bool
6216  """
6217  return _IMP_atom.LinearVelocity___ge__(self, *args)
6218 
6219 
6220  def __gt__(self, *args):
6221  """
6222  __gt__(LinearVelocity self, LinearVelocity o) -> bool
6223  __gt__(LinearVelocity self, Particle d) -> bool
6224  """
6225  return _IMP_atom.LinearVelocity___gt__(self, *args)
6226 
6227 
6228  def __hash__(self):
6229  """__hash__(LinearVelocity self) -> std::size_t"""
6230  return _IMP_atom.LinearVelocity___hash__(self)
6231 
6232 
6233  def __str__(self):
6234  """__str__(LinearVelocity self) -> std::string"""
6235  return _IMP_atom.LinearVelocity___str__(self)
6236 
6237 
6238  def __repr__(self):
6239  """__repr__(LinearVelocity self) -> std::string"""
6240  return _IMP_atom.LinearVelocity___repr__(self)
6241 
6242  __swig_destroy__ = _IMP_atom.delete_LinearVelocity
6243  __del__ = lambda self: None
6244 LinearVelocity_swigregister = _IMP_atom.LinearVelocity_swigregister
6245 LinearVelocity_swigregister(LinearVelocity)
6246 
6247 def LinearVelocity_get_is_setup(*args):
6248  """
6249  get_is_setup(Model m, ParticleIndex pi) -> bool
6250  LinearVelocity_get_is_setup(_ParticleAdaptor p) -> bool
6251  """
6252  return _IMP_atom.LinearVelocity_get_is_setup(*args)
6253 
6254 def LinearVelocity_setup_particle(*args):
6255  """
6256  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
6257  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
6258  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
6259  LinearVelocity_setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
6260  """
6261  return _IMP_atom.LinearVelocity_setup_particle(*args)
6262 
6263 class AngularVelocity(IMP.Decorator):
6264  """Proxy of C++ IMP::atom::AngularVelocity class"""
6265  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6266 
6267  def __init__(self, *args):
6268  """
6269  __init__(IMP::atom::AngularVelocity self) -> AngularVelocity
6270  __init__(IMP::atom::AngularVelocity self, Model m, ParticleIndex id) -> AngularVelocity
6271  __init__(IMP::atom::AngularVelocity self, _ParticleAdaptor d) -> AngularVelocity
6272  """
6273  this = _IMP_atom.new_AngularVelocity(*args)
6274  try:
6275  self.this.append(this)
6276  except:
6277  self.this = this
6278 
6279  def get_is_setup(*args):
6280  """
6281  get_is_setup(Model m, ParticleIndex pi) -> bool
6282  get_is_setup(_ParticleAdaptor p) -> bool
6283  """
6284  return _IMP_atom.AngularVelocity_get_is_setup(*args)
6285 
6286  get_is_setup = staticmethod(get_is_setup)
6287 
6288  def show(self, *args):
6289  """
6290  show(AngularVelocity self, _ostream out)
6291  show(AngularVelocity self)
6292  """
6293  return _IMP_atom.AngularVelocity_show(self, *args)
6294 
6295 
6296  def setup_particle(*args):
6297  """
6298  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
6299  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
6300  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
6301  setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
6302  """
6303  return _IMP_atom.AngularVelocity_setup_particle(*args)
6304 
6305  setup_particle = staticmethod(setup_particle)
6306 
6307  def set_velocity(self, v):
6308  """set_velocity(AngularVelocity self, Vector4D v)"""
6309  return _IMP_atom.AngularVelocity_set_velocity(self, v)
6310 
6311 
6312  def get_velocity(self):
6313  """get_velocity(AngularVelocity self) -> Vector4D"""
6314  return _IMP_atom.AngularVelocity_get_velocity(self)
6315 
6316 
6317  def add_attribute(self, *args):
6318  """
6319  add_attribute(AngularVelocity self, FloatKey k, IMP::Float v, bool opt)
6320  add_attribute(AngularVelocity self, FloatKey a0, IMP::Float a1)
6321  add_attribute(AngularVelocity self, IntKey a0, IMP::Int a1)
6322  add_attribute(AngularVelocity self, FloatsKey a0, IMP::Floats a1)
6323  add_attribute(AngularVelocity self, IntsKey a0, IMP::Ints a1)
6324  add_attribute(AngularVelocity self, StringKey a0, IMP::String a1)
6325  add_attribute(AngularVelocity self, ParticleIndexKey a0, Particle a1)
6326  add_attribute(AngularVelocity self, ObjectKey a0, Object a1)
6327  """
6328  return _IMP_atom.AngularVelocity_add_attribute(self, *args)
6329 
6330 
6331  def get_value(self, *args):
6332  """
6333  get_value(AngularVelocity self, FloatKey a0) -> IMP::Float
6334  get_value(AngularVelocity self, IntKey a0) -> IMP::Int
6335  get_value(AngularVelocity self, FloatsKey a0) -> IMP::Floats
6336  get_value(AngularVelocity self, IntsKey a0) -> IMP::Ints
6337  get_value(AngularVelocity self, StringKey a0) -> IMP::String
6338  get_value(AngularVelocity self, ParticleIndexKey a0) -> Particle
6339  get_value(AngularVelocity self, ObjectKey a0) -> Object
6340  """
6341  return _IMP_atom.AngularVelocity_get_value(self, *args)
6342 
6343 
6344  def set_value(self, *args):
6345  """
6346  set_value(AngularVelocity self, FloatKey a0, IMP::Float a1)
6347  set_value(AngularVelocity self, IntKey a0, IMP::Int a1)
6348  set_value(AngularVelocity self, FloatsKey a0, IMP::Floats a1)
6349  set_value(AngularVelocity self, IntsKey a0, IMP::Ints a1)
6350  set_value(AngularVelocity self, StringKey a0, IMP::String a1)
6351  set_value(AngularVelocity self, ParticleIndexKey a0, Particle a1)
6352  set_value(AngularVelocity self, ObjectKey a0, Object a1)
6353  """
6354  return _IMP_atom.AngularVelocity_set_value(self, *args)
6355 
6356 
6357  def remove_attribute(self, *args):
6358  """
6359  remove_attribute(AngularVelocity self, FloatKey a0)
6360  remove_attribute(AngularVelocity self, IntKey a0)
6361  remove_attribute(AngularVelocity self, FloatsKey a0)
6362  remove_attribute(AngularVelocity self, IntsKey a0)
6363  remove_attribute(AngularVelocity self, StringKey a0)
6364  remove_attribute(AngularVelocity self, ParticleIndexKey a0)
6365  remove_attribute(AngularVelocity self, ObjectKey a0)
6366  """
6367  return _IMP_atom.AngularVelocity_remove_attribute(self, *args)
6368 
6369 
6370  def has_attribute(self, *args):
6371  """
6372  has_attribute(AngularVelocity self, FloatKey a0) -> bool
6373  has_attribute(AngularVelocity self, IntKey a0) -> bool
6374  has_attribute(AngularVelocity self, FloatsKey a0) -> bool
6375  has_attribute(AngularVelocity self, IntsKey a0) -> bool
6376  has_attribute(AngularVelocity self, StringKey a0) -> bool
6377  has_attribute(AngularVelocity self, ParticleIndexKey a0) -> bool
6378  has_attribute(AngularVelocity self, ObjectKey a0) -> bool
6379  """
6380  return _IMP_atom.AngularVelocity_has_attribute(self, *args)
6381 
6382 
6383  def get_derivative(self, a0):
6384  """get_derivative(AngularVelocity self, FloatKey a0) -> double"""
6385  return _IMP_atom.AngularVelocity_get_derivative(self, a0)
6386 
6387 
6388  def get_name(self):
6389  """get_name(AngularVelocity self) -> std::string"""
6390  return _IMP_atom.AngularVelocity_get_name(self)
6391 
6392 
6393  def clear_caches(self):
6394  """clear_caches(AngularVelocity self)"""
6395  return _IMP_atom.AngularVelocity_clear_caches(self)
6396 
6397 
6398  def set_name(self, a0):
6399  """set_name(AngularVelocity self, std::string a0)"""
6400  return _IMP_atom.AngularVelocity_set_name(self, a0)
6401 
6402 
6403  def set_check_level(self, a0):
6404  """set_check_level(AngularVelocity self, IMP::CheckLevel a0)"""
6405  return _IMP_atom.AngularVelocity_set_check_level(self, a0)
6406 
6407 
6408  def add_to_derivative(self, a0, a1, a2):
6409  """add_to_derivative(AngularVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6410  return _IMP_atom.AngularVelocity_add_to_derivative(self, a0, a1, a2)
6411 
6412 
6413  def set_is_optimized(self, a0, a1):
6414  """set_is_optimized(AngularVelocity self, FloatKey a0, bool a1)"""
6415  return _IMP_atom.AngularVelocity_set_is_optimized(self, a0, a1)
6416 
6417 
6418  def get_is_optimized(self, a0):
6419  """get_is_optimized(AngularVelocity self, FloatKey a0) -> bool"""
6420  return _IMP_atom.AngularVelocity_get_is_optimized(self, a0)
6421 
6422 
6423  def get_check_level(self):
6424  """get_check_level(AngularVelocity self) -> IMP::CheckLevel"""
6425  return _IMP_atom.AngularVelocity_get_check_level(self)
6426 
6427 
6428  def __eq__(self, *args):
6429  """
6430  __eq__(AngularVelocity self, AngularVelocity o) -> bool
6431  __eq__(AngularVelocity self, Particle d) -> bool
6432  """
6433  return _IMP_atom.AngularVelocity___eq__(self, *args)
6434 
6435 
6436  def __ne__(self, *args):
6437  """
6438  __ne__(AngularVelocity self, AngularVelocity o) -> bool
6439  __ne__(AngularVelocity self, Particle d) -> bool
6440  """
6441  return _IMP_atom.AngularVelocity___ne__(self, *args)
6442 
6443 
6444  def __le__(self, *args):
6445  """
6446  __le__(AngularVelocity self, AngularVelocity o) -> bool
6447  __le__(AngularVelocity self, Particle d) -> bool
6448  """
6449  return _IMP_atom.AngularVelocity___le__(self, *args)
6450 
6451 
6452  def __lt__(self, *args):
6453  """
6454  __lt__(AngularVelocity self, AngularVelocity o) -> bool
6455  __lt__(AngularVelocity self, Particle d) -> bool
6456  """
6457  return _IMP_atom.AngularVelocity___lt__(self, *args)
6458 
6459 
6460  def __ge__(self, *args):
6461  """
6462  __ge__(AngularVelocity self, AngularVelocity o) -> bool
6463  __ge__(AngularVelocity self, Particle d) -> bool
6464  """
6465  return _IMP_atom.AngularVelocity___ge__(self, *args)
6466 
6467 
6468  def __gt__(self, *args):
6469  """
6470  __gt__(AngularVelocity self, AngularVelocity o) -> bool
6471  __gt__(AngularVelocity self, Particle d) -> bool
6472  """
6473  return _IMP_atom.AngularVelocity___gt__(self, *args)
6474 
6475 
6476  def __hash__(self):
6477  """__hash__(AngularVelocity self) -> std::size_t"""
6478  return _IMP_atom.AngularVelocity___hash__(self)
6479 
6480 
6481  def __str__(self):
6482  """__str__(AngularVelocity self) -> std::string"""
6483  return _IMP_atom.AngularVelocity___str__(self)
6484 
6485 
6486  def __repr__(self):
6487  """__repr__(AngularVelocity self) -> std::string"""
6488  return _IMP_atom.AngularVelocity___repr__(self)
6489 
6490  __swig_destroy__ = _IMP_atom.delete_AngularVelocity
6491  __del__ = lambda self: None
6492 AngularVelocity_swigregister = _IMP_atom.AngularVelocity_swigregister
6493 AngularVelocity_swigregister(AngularVelocity)
6494 
6495 def AngularVelocity_get_is_setup(*args):
6496  """
6497  get_is_setup(Model m, ParticleIndex pi) -> bool
6498  AngularVelocity_get_is_setup(_ParticleAdaptor p) -> bool
6499  """
6500  return _IMP_atom.AngularVelocity_get_is_setup(*args)
6501 
6502 def AngularVelocity_setup_particle(*args):
6503  """
6504  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
6505  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
6506  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
6507  AngularVelocity_setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
6508  """
6509  return _IMP_atom.AngularVelocity_setup_particle(*args)
6510 
6511 class MolecularDynamics(Simulator):
6512  """Proxy of C++ IMP::atom::MolecularDynamics class"""
6513  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6514 
6515  def __init__(self, m):
6516  """__init__(IMP::atom::MolecularDynamics self, Model m) -> MolecularDynamics"""
6517  this = _IMP_atom.new_MolecularDynamics(m)
6518  try:
6519  self.this.append(this)
6520  except:
6521  self.this = this
6522 
6523  def get_kinetic_energy(self):
6524  """get_kinetic_energy(MolecularDynamics self) -> IMP::Float"""
6525  return _IMP_atom.MolecularDynamics_get_kinetic_energy(self)
6526 
6527 
6528  def get_kinetic_temperature(self, ekinetic):
6529  """get_kinetic_temperature(MolecularDynamics self, IMP::Float ekinetic) -> IMP::Float"""
6530  return _IMP_atom.MolecularDynamics_get_kinetic_temperature(self, ekinetic)
6531 
6532 
6533  def set_velocity_cap(self, velocity_cap):
6534  """set_velocity_cap(MolecularDynamics self, IMP::Float velocity_cap)"""
6535  return _IMP_atom.MolecularDynamics_set_velocity_cap(self, velocity_cap)
6536 
6537 
6538  def assign_velocities(self, temperature):
6539  """assign_velocities(MolecularDynamics self, IMP::Float temperature)"""
6540  return _IMP_atom.MolecularDynamics_assign_velocities(self, temperature)
6541 
6542 
6543  def setup(self, ps):
6544  """setup(MolecularDynamics self, IMP::ParticleIndexes const & ps)"""
6545  return _IMP_atom.MolecularDynamics_setup(self, ps)
6546 
6547 
6548  def do_step(self, sc, dt):
6549  """do_step(MolecularDynamics self, IMP::ParticleIndexes const & sc, double dt) -> double"""
6550  return _IMP_atom.MolecularDynamics_do_step(self, sc, dt)
6551 
6552 
6553  def get_is_simulation_particle(self, p):
6554  """get_is_simulation_particle(MolecularDynamics self, ParticleIndex p) -> bool"""
6555  return _IMP_atom.MolecularDynamics_get_is_simulation_particle(self, p)
6556 
6557 
6558  def get_version_info(self):
6559  """get_version_info(MolecularDynamics self) -> VersionInfo"""
6560  return _IMP_atom.MolecularDynamics_get_version_info(self)
6561 
6562 
6563  def __str__(self):
6564  """__str__(MolecularDynamics self) -> std::string"""
6565  return _IMP_atom.MolecularDynamics___str__(self)
6566 
6567 
6568  def __repr__(self):
6569  """__repr__(MolecularDynamics self) -> std::string"""
6570  return _IMP_atom.MolecularDynamics___repr__(self)
6571 
6572 
6573  @staticmethod
6574  def get_from(o):
6575  return _object_cast_to_MolecularDynamics(o)
6576 
6577 MolecularDynamics_swigregister = _IMP_atom.MolecularDynamics_swigregister
6578 MolecularDynamics_swigregister(MolecularDynamics)
6579 
6580 class VelocityScalingOptimizerState(IMP.OptimizerState):
6581  """Proxy of C++ IMP::atom::VelocityScalingOptimizerState class"""
6582  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6583 
6584  def __init__(self, m, pis, temperature):
6585  """__init__(IMP::atom::VelocityScalingOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature) -> VelocityScalingOptimizerState"""
6586  this = _IMP_atom.new_VelocityScalingOptimizerState(m, pis, temperature)
6587  try:
6588  self.this.append(this)
6589  except:
6590  self.this = this
6591 
6592  def set_particles(self, pis):
6593  """set_particles(VelocityScalingOptimizerState self, IMP::Particles const & pis)"""
6594  return _IMP_atom.VelocityScalingOptimizerState_set_particles(self, pis)
6595 
6596 
6597  def set_temperature(self, temperature):
6598  """set_temperature(VelocityScalingOptimizerState self, IMP::Float temperature)"""
6599  return _IMP_atom.VelocityScalingOptimizerState_set_temperature(self, temperature)
6600 
6601 
6602  def rescale_velocities(self):
6603  """rescale_velocities(VelocityScalingOptimizerState self)"""
6604  return _IMP_atom.VelocityScalingOptimizerState_rescale_velocities(self)
6605 
6606 
6607  def get_version_info(self):
6608  """get_version_info(VelocityScalingOptimizerState self) -> VersionInfo"""
6609  return _IMP_atom.VelocityScalingOptimizerState_get_version_info(self)
6610 
6611 
6612  def __str__(self):
6613  """__str__(VelocityScalingOptimizerState self) -> std::string"""
6614  return _IMP_atom.VelocityScalingOptimizerState___str__(self)
6615 
6616 
6617  def __repr__(self):
6618  """__repr__(VelocityScalingOptimizerState self) -> std::string"""
6619  return _IMP_atom.VelocityScalingOptimizerState___repr__(self)
6620 
6621 
6622  @staticmethod
6623  def get_from(o):
6624  return _object_cast_to_VelocityScalingOptimizerState(o)
6625 
6626 VelocityScalingOptimizerState_swigregister = _IMP_atom.VelocityScalingOptimizerState_swigregister
6627 VelocityScalingOptimizerState_swigregister(VelocityScalingOptimizerState)
6628 
6629 class Fragment(Hierarchy):
6630  """Proxy of C++ IMP::atom::Fragment class"""
6631  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6632 
6633  def set_residue_indexes(self, o):
6634  """set_residue_indexes(Fragment self, IMP::Ints o)"""
6635  return _IMP_atom.Fragment_set_residue_indexes(self, o)
6636 
6637 
6638  def get_residue_indexes(self):
6639  """get_residue_indexes(Fragment self) -> IMP::Ints"""
6640  return _IMP_atom.Fragment_get_residue_indexes(self)
6641 
6642 
6643  def get_contains_residue(self, rindex):
6644  """get_contains_residue(Fragment self, int rindex) -> bool"""
6645  return _IMP_atom.Fragment_get_contains_residue(self, rindex)
6646 
6647 
6648  def __init__(self, *args):
6649  """
6650  __init__(IMP::atom::Fragment self) -> Fragment
6651  __init__(IMP::atom::Fragment self, Model m, ParticleIndex id) -> Fragment
6652  __init__(IMP::atom::Fragment self, _ParticleAdaptor d) -> Fragment
6653  """
6654  this = _IMP_atom.new_Fragment(*args)
6655  try:
6656  self.this.append(this)
6657  except:
6658  self.this = this
6659 
6660  def get_is_setup(*args):
6661  """
6662  get_is_setup(Model m, ParticleIndex pi) -> bool
6663  get_is_setup(_ParticleAdaptor p) -> bool
6664  """
6665  return _IMP_atom.Fragment_get_is_setup(*args)
6666 
6667  get_is_setup = staticmethod(get_is_setup)
6668 
6669  def show(self, *args):
6670  """
6671  show(Fragment self, _ostream out)
6672  show(Fragment self)
6673  """
6674  return _IMP_atom.Fragment_show(self, *args)
6675 
6676 
6677  def setup_particle(*args):
6678  """
6679  setup_particle(Model m, ParticleIndex pi) -> Fragment
6680  setup_particle(_ParticleAdaptor decorator) -> Fragment
6681  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6682  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6683  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6684  setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6685  """
6686  return _IMP_atom.Fragment_setup_particle(*args)
6687 
6688  setup_particle = staticmethod(setup_particle)
6689 
6690  def add_attribute(self, *args):
6691  """
6692  add_attribute(Fragment self, FloatKey k, IMP::Float v, bool opt)
6693  add_attribute(Fragment self, FloatKey a0, IMP::Float a1)
6694  add_attribute(Fragment self, IntKey a0, IMP::Int a1)
6695  add_attribute(Fragment self, FloatsKey a0, IMP::Floats a1)
6696  add_attribute(Fragment self, IntsKey a0, IMP::Ints a1)
6697  add_attribute(Fragment self, StringKey a0, IMP::String a1)
6698  add_attribute(Fragment self, ParticleIndexKey a0, Particle a1)
6699  add_attribute(Fragment self, ObjectKey a0, Object a1)
6700  """
6701  return _IMP_atom.Fragment_add_attribute(self, *args)
6702 
6703 
6704  def get_value(self, *args):
6705  """
6706  get_value(Fragment self, FloatKey a0) -> IMP::Float
6707  get_value(Fragment self, IntKey a0) -> IMP::Int
6708  get_value(Fragment self, FloatsKey a0) -> IMP::Floats
6709  get_value(Fragment self, IntsKey a0) -> IMP::Ints
6710  get_value(Fragment self, StringKey a0) -> IMP::String
6711  get_value(Fragment self, ParticleIndexKey a0) -> Particle
6712  get_value(Fragment self, ObjectKey a0) -> Object
6713  """
6714  return _IMP_atom.Fragment_get_value(self, *args)
6715 
6716 
6717  def set_value(self, *args):
6718  """
6719  set_value(Fragment self, FloatKey a0, IMP::Float a1)
6720  set_value(Fragment self, IntKey a0, IMP::Int a1)
6721  set_value(Fragment self, FloatsKey a0, IMP::Floats a1)
6722  set_value(Fragment self, IntsKey a0, IMP::Ints a1)
6723  set_value(Fragment self, StringKey a0, IMP::String a1)
6724  set_value(Fragment self, ParticleIndexKey a0, Particle a1)
6725  set_value(Fragment self, ObjectKey a0, Object a1)
6726  """
6727  return _IMP_atom.Fragment_set_value(self, *args)
6728 
6729 
6730  def remove_attribute(self, *args):
6731  """
6732  remove_attribute(Fragment self, FloatKey a0)
6733  remove_attribute(Fragment self, IntKey a0)
6734  remove_attribute(Fragment self, FloatsKey a0)
6735  remove_attribute(Fragment self, IntsKey a0)
6736  remove_attribute(Fragment self, StringKey a0)
6737  remove_attribute(Fragment self, ParticleIndexKey a0)
6738  remove_attribute(Fragment self, ObjectKey a0)
6739  """
6740  return _IMP_atom.Fragment_remove_attribute(self, *args)
6741 
6742 
6743  def has_attribute(self, *args):
6744  """
6745  has_attribute(Fragment self, FloatKey a0) -> bool
6746  has_attribute(Fragment self, IntKey a0) -> bool
6747  has_attribute(Fragment self, FloatsKey a0) -> bool
6748  has_attribute(Fragment self, IntsKey a0) -> bool
6749  has_attribute(Fragment self, StringKey a0) -> bool
6750  has_attribute(Fragment self, ParticleIndexKey a0) -> bool
6751  has_attribute(Fragment self, ObjectKey a0) -> bool
6752  """
6753  return _IMP_atom.Fragment_has_attribute(self, *args)
6754 
6755 
6756  def get_derivative(self, a0):
6757  """get_derivative(Fragment self, FloatKey a0) -> double"""
6758  return _IMP_atom.Fragment_get_derivative(self, a0)
6759 
6760 
6761  def get_name(self):
6762  """get_name(Fragment self) -> std::string"""
6763  return _IMP_atom.Fragment_get_name(self)
6764 
6765 
6766  def clear_caches(self):
6767  """clear_caches(Fragment self)"""
6768  return _IMP_atom.Fragment_clear_caches(self)
6769 
6770 
6771  def set_name(self, a0):
6772  """set_name(Fragment self, std::string a0)"""
6773  return _IMP_atom.Fragment_set_name(self, a0)
6774 
6775 
6776  def set_check_level(self, a0):
6777  """set_check_level(Fragment self, IMP::CheckLevel a0)"""
6778  return _IMP_atom.Fragment_set_check_level(self, a0)
6779 
6780 
6781  def add_to_derivative(self, a0, a1, a2):
6782  """add_to_derivative(Fragment self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6783  return _IMP_atom.Fragment_add_to_derivative(self, a0, a1, a2)
6784 
6785 
6786  def set_is_optimized(self, a0, a1):
6787  """set_is_optimized(Fragment self, FloatKey a0, bool a1)"""
6788  return _IMP_atom.Fragment_set_is_optimized(self, a0, a1)
6789 
6790 
6791  def get_is_optimized(self, a0):
6792  """get_is_optimized(Fragment self, FloatKey a0) -> bool"""
6793  return _IMP_atom.Fragment_get_is_optimized(self, a0)
6794 
6795 
6796  def get_check_level(self):
6797  """get_check_level(Fragment self) -> IMP::CheckLevel"""
6798  return _IMP_atom.Fragment_get_check_level(self)
6799 
6800 
6801  def __eq__(self, *args):
6802  """
6803  __eq__(Fragment self, Fragment o) -> bool
6804  __eq__(Fragment self, Particle d) -> bool
6805  """
6806  return _IMP_atom.Fragment___eq__(self, *args)
6807 
6808 
6809  def __ne__(self, *args):
6810  """
6811  __ne__(Fragment self, Fragment o) -> bool
6812  __ne__(Fragment self, Particle d) -> bool
6813  """
6814  return _IMP_atom.Fragment___ne__(self, *args)
6815 
6816 
6817  def __le__(self, *args):
6818  """
6819  __le__(Fragment self, Fragment o) -> bool
6820  __le__(Fragment self, Particle d) -> bool
6821  """
6822  return _IMP_atom.Fragment___le__(self, *args)
6823 
6824 
6825  def __lt__(self, *args):
6826  """
6827  __lt__(Fragment self, Fragment o) -> bool
6828  __lt__(Fragment self, Particle d) -> bool
6829  """
6830  return _IMP_atom.Fragment___lt__(self, *args)
6831 
6832 
6833  def __ge__(self, *args):
6834  """
6835  __ge__(Fragment self, Fragment o) -> bool
6836  __ge__(Fragment self, Particle d) -> bool
6837  """
6838  return _IMP_atom.Fragment___ge__(self, *args)
6839 
6840 
6841  def __gt__(self, *args):
6842  """
6843  __gt__(Fragment self, Fragment o) -> bool
6844  __gt__(Fragment self, Particle d) -> bool
6845  """
6846  return _IMP_atom.Fragment___gt__(self, *args)
6847 
6848 
6849  def __hash__(self):
6850  """__hash__(Fragment self) -> std::size_t"""
6851  return _IMP_atom.Fragment___hash__(self)
6852 
6853 
6854  def __str__(self):
6855  """__str__(Fragment self) -> std::string"""
6856  return _IMP_atom.Fragment___str__(self)
6857 
6858 
6859  def __repr__(self):
6860  """__repr__(Fragment self) -> std::string"""
6861  return _IMP_atom.Fragment___repr__(self)
6862 
6863  __swig_destroy__ = _IMP_atom.delete_Fragment
6864  __del__ = lambda self: None
6865 Fragment_swigregister = _IMP_atom.Fragment_swigregister
6866 Fragment_swigregister(Fragment)
6867 
6868 def Fragment_get_is_setup(*args):
6869  """
6870  get_is_setup(Model m, ParticleIndex pi) -> bool
6871  Fragment_get_is_setup(_ParticleAdaptor p) -> bool
6872  """
6873  return _IMP_atom.Fragment_get_is_setup(*args)
6874 
6875 def Fragment_setup_particle(*args):
6876  """
6877  setup_particle(Model m, ParticleIndex pi) -> Fragment
6878  setup_particle(_ParticleAdaptor decorator) -> Fragment
6879  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6880  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6881  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6882  Fragment_setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6883  """
6884  return _IMP_atom.Fragment_setup_particle(*args)
6885 
6886 class StereochemistryPairFilter(IMP.PairPredicate):
6887  """Proxy of C++ IMP::atom::StereochemistryPairFilter class"""
6888  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6889 
6890  def __init__(self):
6891  """__init__(IMP::atom::StereochemistryPairFilter self) -> StereochemistryPairFilter"""
6892  this = _IMP_atom.new_StereochemistryPairFilter()
6893  try:
6894  self.this.append(this)
6895  except:
6896  self.this = this
6897 
6898  def set_bonds(self, bonds):
6899  """set_bonds(StereochemistryPairFilter self, IMP::Particles const & bonds)"""
6900  return _IMP_atom.StereochemistryPairFilter_set_bonds(self, bonds)
6901 
6902 
6903  def set_angles(self, angles):
6904  """set_angles(StereochemistryPairFilter self, IMP::Particles const & angles)"""
6905  return _IMP_atom.StereochemistryPairFilter_set_angles(self, angles)
6906 
6907 
6908  def set_dihedrals(self, dihedrals):
6909  """set_dihedrals(StereochemistryPairFilter self, IMP::Particles const & dihedrals)"""
6910  return _IMP_atom.StereochemistryPairFilter_set_dihedrals(self, dihedrals)
6911 
6912 
6913  def do_get_inputs(self, m, pis):
6914  """do_get_inputs(StereochemistryPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6915  return _IMP_atom.StereochemistryPairFilter_do_get_inputs(self, m, pis)
6916 
6917 
6918  def get_value(self, *args):
6919  """
6920  get_value(StereochemistryPairFilter self, IMP::ParticlePair const & a) -> int
6921  get_value(StereochemistryPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6922  """
6923  return _IMP_atom.StereochemistryPairFilter_get_value(self, *args)
6924 
6925 
6926  def get_value_index(self, *args):
6927  """
6928  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6929  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6930  """
6931  return _IMP_atom.StereochemistryPairFilter_get_value_index(self, *args)
6932 
6933 
6934  def get_version_info(self):
6935  """get_version_info(StereochemistryPairFilter self) -> VersionInfo"""
6936  return _IMP_atom.StereochemistryPairFilter_get_version_info(self)
6937 
6938 
6939  def __str__(self):
6940  """__str__(StereochemistryPairFilter self) -> std::string"""
6941  return _IMP_atom.StereochemistryPairFilter___str__(self)
6942 
6943 
6944  def __repr__(self):
6945  """__repr__(StereochemistryPairFilter self) -> std::string"""
6946  return _IMP_atom.StereochemistryPairFilter___repr__(self)
6947 
6948 
6949  @staticmethod
6950  def get_from(o):
6951  return _object_cast_to_StereochemistryPairFilter(o)
6952 
6953 StereochemistryPairFilter_swigregister = _IMP_atom.StereochemistryPairFilter_swigregister
6954 StereochemistryPairFilter_swigregister(StereochemistryPairFilter)
6955 
6956 class SoapPairFilter(IMP.PairPredicate):
6957  """Proxy of C++ IMP::atom::SoapPairFilter class"""
6958  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6959 
6960  def __init__(self, library):
6961  """__init__(IMP::atom::SoapPairFilter self, std::string library) -> SoapPairFilter"""
6962  this = _IMP_atom.new_SoapPairFilter(library)
6963  try:
6964  self.this.append(this)
6965  except:
6966  self.this = this
6967 
6968  def do_get_inputs(self, m, pis):
6969  """do_get_inputs(SoapPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6970  return _IMP_atom.SoapPairFilter_do_get_inputs(self, m, pis)
6971 
6972 
6973  def get_value(self, *args):
6974  """
6975  get_value(SoapPairFilter self, IMP::ParticlePair const & a) -> int
6976  get_value(SoapPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6977  """
6978  return _IMP_atom.SoapPairFilter_get_value(self, *args)
6979 
6980 
6981  def get_value_index(self, *args):
6982  """
6983  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6984  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6985  """
6986  return _IMP_atom.SoapPairFilter_get_value_index(self, *args)
6987 
6988 
6989  def get_version_info(self):
6990  """get_version_info(SoapPairFilter self) -> VersionInfo"""
6991  return _IMP_atom.SoapPairFilter_get_version_info(self)
6992 
6993 
6994  def __str__(self):
6995  """__str__(SoapPairFilter self) -> std::string"""
6996  return _IMP_atom.SoapPairFilter___str__(self)
6997 
6998 
6999  def __repr__(self):
7000  """__repr__(SoapPairFilter self) -> std::string"""
7001  return _IMP_atom.SoapPairFilter___repr__(self)
7002 
7003 
7004  @staticmethod
7005  def get_from(o):
7006  return _object_cast_to_SoapPairFilter(o)
7007 
7008 SoapPairFilter_swigregister = _IMP_atom.SoapPairFilter_swigregister
7009 SoapPairFilter_swigregister(SoapPairFilter)
7010 
7011 class Mass(IMP.Decorator):
7012  """Proxy of C++ IMP::atom::Mass class"""
7013  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7014 
7015  def get_mass(self):
7016  """get_mass(Mass self) -> IMP::Float"""
7017  return _IMP_atom.Mass_get_mass(self)
7018 
7019 
7020  def set_mass(self, d):
7021  """set_mass(Mass self, IMP::Float d)"""
7022  return _IMP_atom.Mass_set_mass(self, d)
7023 
7024 
7025  def __init__(self, *args):
7026  """
7027  __init__(IMP::atom::Mass self) -> Mass
7028  __init__(IMP::atom::Mass self, Model m, ParticleIndex id) -> Mass
7029  __init__(IMP::atom::Mass self, _ParticleAdaptor d) -> Mass
7030  """
7031  this = _IMP_atom.new_Mass(*args)
7032  try:
7033  self.this.append(this)
7034  except:
7035  self.this = this
7036 
7037  def get_is_setup(*args):
7038  """
7039  get_is_setup(Model m, ParticleIndex pi) -> bool
7040  get_is_setup(_ParticleAdaptor p) -> bool
7041  """
7042  return _IMP_atom.Mass_get_is_setup(*args)
7043 
7044  get_is_setup = staticmethod(get_is_setup)
7045 
7046  def show(self, *args):
7047  """
7048  show(Mass self, _ostream out)
7049  show(Mass self)
7050  """
7051  return _IMP_atom.Mass_show(self, *args)
7052 
7053 
7054  def setup_particle(*args):
7055  """
7056  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
7057  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
7058  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
7059  setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
7060  """
7061  return _IMP_atom.Mass_setup_particle(*args)
7062 
7063  setup_particle = staticmethod(setup_particle)
7064 
7065  def get_mass_key():
7066  """get_mass_key() -> FloatKey"""
7067  return _IMP_atom.Mass_get_mass_key()
7068 
7069  get_mass_key = staticmethod(get_mass_key)
7070 
7071  def add_attribute(self, *args):
7072  """
7073  add_attribute(Mass self, FloatKey k, IMP::Float v, bool opt)
7074  add_attribute(Mass self, FloatKey a0, IMP::Float a1)
7075  add_attribute(Mass self, IntKey a0, IMP::Int a1)
7076  add_attribute(Mass self, FloatsKey a0, IMP::Floats a1)
7077  add_attribute(Mass self, IntsKey a0, IMP::Ints a1)
7078  add_attribute(Mass self, StringKey a0, IMP::String a1)
7079  add_attribute(Mass self, ParticleIndexKey a0, Particle a1)
7080  add_attribute(Mass self, ObjectKey a0, Object a1)
7081  """
7082  return _IMP_atom.Mass_add_attribute(self, *args)
7083 
7084 
7085  def get_value(self, *args):
7086  """
7087  get_value(Mass self, FloatKey a0) -> IMP::Float
7088  get_value(Mass self, IntKey a0) -> IMP::Int
7089  get_value(Mass self, FloatsKey a0) -> IMP::Floats
7090  get_value(Mass self, IntsKey a0) -> IMP::Ints
7091  get_value(Mass self, StringKey a0) -> IMP::String
7092  get_value(Mass self, ParticleIndexKey a0) -> Particle
7093  get_value(Mass self, ObjectKey a0) -> Object
7094  """
7095  return _IMP_atom.Mass_get_value(self, *args)
7096 
7097 
7098  def set_value(self, *args):
7099  """
7100  set_value(Mass self, FloatKey a0, IMP::Float a1)
7101  set_value(Mass self, IntKey a0, IMP::Int a1)
7102  set_value(Mass self, FloatsKey a0, IMP::Floats a1)
7103  set_value(Mass self, IntsKey a0, IMP::Ints a1)
7104  set_value(Mass self, StringKey a0, IMP::String a1)
7105  set_value(Mass self, ParticleIndexKey a0, Particle a1)
7106  set_value(Mass self, ObjectKey a0, Object a1)
7107  """
7108  return _IMP_atom.Mass_set_value(self, *args)
7109 
7110 
7111  def remove_attribute(self, *args):
7112  """
7113  remove_attribute(Mass self, FloatKey a0)
7114  remove_attribute(Mass self, IntKey a0)
7115  remove_attribute(Mass self, FloatsKey a0)
7116  remove_attribute(Mass self, IntsKey a0)
7117  remove_attribute(Mass self, StringKey a0)
7118  remove_attribute(Mass self, ParticleIndexKey a0)
7119  remove_attribute(Mass self, ObjectKey a0)
7120  """
7121  return _IMP_atom.Mass_remove_attribute(self, *args)
7122 
7123 
7124  def has_attribute(self, *args):
7125  """
7126  has_attribute(Mass self, FloatKey a0) -> bool
7127  has_attribute(Mass self, IntKey a0) -> bool
7128  has_attribute(Mass self, FloatsKey a0) -> bool
7129  has_attribute(Mass self, IntsKey a0) -> bool
7130  has_attribute(Mass self, StringKey a0) -> bool
7131  has_attribute(Mass self, ParticleIndexKey a0) -> bool
7132  has_attribute(Mass self, ObjectKey a0) -> bool
7133  """
7134  return _IMP_atom.Mass_has_attribute(self, *args)
7135 
7136 
7137  def get_derivative(self, a0):
7138  """get_derivative(Mass self, FloatKey a0) -> double"""
7139  return _IMP_atom.Mass_get_derivative(self, a0)
7140 
7141 
7142  def get_name(self):
7143  """get_name(Mass self) -> std::string"""
7144  return _IMP_atom.Mass_get_name(self)
7145 
7146 
7147  def clear_caches(self):
7148  """clear_caches(Mass self)"""
7149  return _IMP_atom.Mass_clear_caches(self)
7150 
7151 
7152  def set_name(self, a0):
7153  """set_name(Mass self, std::string a0)"""
7154  return _IMP_atom.Mass_set_name(self, a0)
7155 
7156 
7157  def set_check_level(self, a0):
7158  """set_check_level(Mass self, IMP::CheckLevel a0)"""
7159  return _IMP_atom.Mass_set_check_level(self, a0)
7160 
7161 
7162  def add_to_derivative(self, a0, a1, a2):
7163  """add_to_derivative(Mass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7164  return _IMP_atom.Mass_add_to_derivative(self, a0, a1, a2)
7165 
7166 
7167  def set_is_optimized(self, a0, a1):
7168  """set_is_optimized(Mass self, FloatKey a0, bool a1)"""
7169  return _IMP_atom.Mass_set_is_optimized(self, a0, a1)
7170 
7171 
7172  def get_is_optimized(self, a0):
7173  """get_is_optimized(Mass self, FloatKey a0) -> bool"""
7174  return _IMP_atom.Mass_get_is_optimized(self, a0)
7175 
7176 
7177  def get_check_level(self):
7178  """get_check_level(Mass self) -> IMP::CheckLevel"""
7179  return _IMP_atom.Mass_get_check_level(self)
7180 
7181 
7182  def __eq__(self, *args):
7183  """
7184  __eq__(Mass self, Mass o) -> bool
7185  __eq__(Mass self, Particle d) -> bool
7186  """
7187  return _IMP_atom.Mass___eq__(self, *args)
7188 
7189 
7190  def __ne__(self, *args):
7191  """
7192  __ne__(Mass self, Mass o) -> bool
7193  __ne__(Mass self, Particle d) -> bool
7194  """
7195  return _IMP_atom.Mass___ne__(self, *args)
7196 
7197 
7198  def __le__(self, *args):
7199  """
7200  __le__(Mass self, Mass o) -> bool
7201  __le__(Mass self, Particle d) -> bool
7202  """
7203  return _IMP_atom.Mass___le__(self, *args)
7204 
7205 
7206  def __lt__(self, *args):
7207  """
7208  __lt__(Mass self, Mass o) -> bool
7209  __lt__(Mass self, Particle d) -> bool
7210  """
7211  return _IMP_atom.Mass___lt__(self, *args)
7212 
7213 
7214  def __ge__(self, *args):
7215  """
7216  __ge__(Mass self, Mass o) -> bool
7217  __ge__(Mass self, Particle d) -> bool
7218  """
7219  return _IMP_atom.Mass___ge__(self, *args)
7220 
7221 
7222  def __gt__(self, *args):
7223  """
7224  __gt__(Mass self, Mass o) -> bool
7225  __gt__(Mass self, Particle d) -> bool
7226  """
7227  return _IMP_atom.Mass___gt__(self, *args)
7228 
7229 
7230  def __hash__(self):
7231  """__hash__(Mass self) -> std::size_t"""
7232  return _IMP_atom.Mass___hash__(self)
7233 
7234 
7235  def __str__(self):
7236  """__str__(Mass self) -> std::string"""
7237  return _IMP_atom.Mass___str__(self)
7238 
7239 
7240  def __repr__(self):
7241  """__repr__(Mass self) -> std::string"""
7242  return _IMP_atom.Mass___repr__(self)
7243 
7244  __swig_destroy__ = _IMP_atom.delete_Mass
7245  __del__ = lambda self: None
7246 Mass_swigregister = _IMP_atom.Mass_swigregister
7247 Mass_swigregister(Mass)
7248 
7249 def Mass_get_is_setup(*args):
7250  """
7251  get_is_setup(Model m, ParticleIndex pi) -> bool
7252  Mass_get_is_setup(_ParticleAdaptor p) -> bool
7253  """
7254  return _IMP_atom.Mass_get_is_setup(*args)
7255 
7256 def Mass_setup_particle(*args):
7257  """
7258  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
7259  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
7260  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
7261  Mass_setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
7262  """
7263  return _IMP_atom.Mass_setup_particle(*args)
7264 
7265 def Mass_get_mass_key():
7266  """Mass_get_mass_key() -> FloatKey"""
7267  return _IMP_atom.Mass_get_mass_key()
7268 
7269 class BondedPairFilter(IMP.PairPredicate):
7270  """Proxy of C++ IMP::atom::BondedPairFilter class"""
7271  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7272 
7273  def __init__(self):
7274  """__init__(IMP::atom::BondedPairFilter self) -> BondedPairFilter"""
7275  this = _IMP_atom.new_BondedPairFilter()
7276  try:
7277  self.this.append(this)
7278  except:
7279  self.this = this
7280 
7281  def do_get_inputs(self, m, pis):
7282  """do_get_inputs(BondedPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7283  return _IMP_atom.BondedPairFilter_do_get_inputs(self, m, pis)
7284 
7285 
7286  def get_value(self, *args):
7287  """
7288  get_value(BondedPairFilter self, IMP::ParticlePair const & a) -> int
7289  get_value(BondedPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
7290  """
7291  return _IMP_atom.BondedPairFilter_get_value(self, *args)
7292 
7293 
7294  def get_value_index(self, *args):
7295  """
7296  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
7297  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7298  """
7299  return _IMP_atom.BondedPairFilter_get_value_index(self, *args)
7300 
7301 
7302  def get_version_info(self):
7303  """get_version_info(BondedPairFilter self) -> VersionInfo"""
7304  return _IMP_atom.BondedPairFilter_get_version_info(self)
7305 
7306 
7307  def __str__(self):
7308  """__str__(BondedPairFilter self) -> std::string"""
7309  return _IMP_atom.BondedPairFilter___str__(self)
7310 
7311 
7312  def __repr__(self):
7313  """__repr__(BondedPairFilter self) -> std::string"""
7314  return _IMP_atom.BondedPairFilter___repr__(self)
7315 
7316 
7317  @staticmethod
7318  def get_from(o):
7319  return _object_cast_to_BondedPairFilter(o)
7320 
7321 BondedPairFilter_swigregister = _IMP_atom.BondedPairFilter_swigregister
7322 BondedPairFilter_swigregister(BondedPairFilter)
7323 
7324 class Mol2Selector(IMP.Object):
7325  """Proxy of C++ IMP::atom::Mol2Selector class"""
7326  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7327 
7328  def __init__(self, *args, **kwargs):
7329  raise AttributeError("No constructor defined - class is abstract")
7330 
7331  def get_is_selected(self, atom_line):
7332  """get_is_selected(Mol2Selector self, std::string const & atom_line) -> bool"""
7333  return _IMP_atom.Mol2Selector_get_is_selected(self, atom_line)
7334 
7335  __swig_destroy__ = _IMP_atom.delete_Mol2Selector
7336  __del__ = lambda self: None
7337 
7338  def __str__(self):
7339  """__str__(Mol2Selector self) -> std::string"""
7340  return _IMP_atom.Mol2Selector___str__(self)
7341 
7342 
7343  def __repr__(self):
7344  """__repr__(Mol2Selector self) -> std::string"""
7345  return _IMP_atom.Mol2Selector___repr__(self)
7346 
7347 
7348  @staticmethod
7349  def get_from(o):
7350  return _object_cast_to_Mol2Selector(o)
7351 
7352 Mol2Selector_swigregister = _IMP_atom.Mol2Selector_swigregister
7353 Mol2Selector_swigregister(Mol2Selector)
7354 
7355 class AllMol2Selector(Mol2Selector):
7356  """Proxy of C++ IMP::atom::AllMol2Selector class"""
7357  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7358 
7359  def __str__(self):
7360  """__str__(AllMol2Selector self) -> std::string"""
7361  return _IMP_atom.AllMol2Selector___str__(self)
7362 
7363 
7364  def __repr__(self):
7365  """__repr__(AllMol2Selector self) -> std::string"""
7366  return _IMP_atom.AllMol2Selector___repr__(self)
7367 
7368 
7369  @staticmethod
7370  def get_from(o):
7371  return _object_cast_to_AllMol2Selector(o)
7372 
7373 
7374  def __init__(self):
7375  """__init__(IMP::atom::AllMol2Selector self) -> AllMol2Selector"""
7376  this = _IMP_atom.new_AllMol2Selector()
7377  try:
7378  self.this.append(this)
7379  except:
7380  self.this = this
7381  __swig_destroy__ = _IMP_atom.delete_AllMol2Selector
7382  __del__ = lambda self: None
7383 AllMol2Selector_swigregister = _IMP_atom.AllMol2Selector_swigregister
7384 AllMol2Selector_swigregister(AllMol2Selector)
7385 
7386 class NonHydrogenMol2Selector(Mol2Selector):
7387  """Proxy of C++ IMP::atom::NonHydrogenMol2Selector class"""
7388  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7389 
7390  def __str__(self):
7391  """__str__(NonHydrogenMol2Selector self) -> std::string"""
7392  return _IMP_atom.NonHydrogenMol2Selector___str__(self)
7393 
7394 
7395  def __repr__(self):
7396  """__repr__(NonHydrogenMol2Selector self) -> std::string"""
7397  return _IMP_atom.NonHydrogenMol2Selector___repr__(self)
7398 
7399 
7400  @staticmethod
7401  def get_from(o):
7402  return _object_cast_to_NonHydrogenMol2Selector(o)
7403 
7404 
7405  def __init__(self):
7406  """__init__(IMP::atom::NonHydrogenMol2Selector self) -> NonHydrogenMol2Selector"""
7407  this = _IMP_atom.new_NonHydrogenMol2Selector()
7408  try:
7409  self.this.append(this)
7410  except:
7411  self.this = this
7412  __swig_destroy__ = _IMP_atom.delete_NonHydrogenMol2Selector
7413  __del__ = lambda self: None
7414 NonHydrogenMol2Selector_swigregister = _IMP_atom.NonHydrogenMol2Selector_swigregister
7415 NonHydrogenMol2Selector_swigregister(NonHydrogenMol2Selector)
7416 
7417 
7418 def read_mol2(mol2_file, model, mol2sel=None):
7419  """
7420  read_mol2(TextInput mol2_file, Model model, Mol2Selector mol2sel=None) -> Hierarchy
7421  read_mol2(TextInput mol2_file, Model model) -> Hierarchy
7422  """
7423  return _IMP_atom.read_mol2(mol2_file, model, mol2sel)
7424 
7425 def write_mol2(rhd, file_name):
7426  """write_mol2(Hierarchy rhd, TextOutput file_name)"""
7427  return _IMP_atom.write_mol2(rhd, file_name)
7428 class SecondaryStructureResidue(IMP.Decorator):
7429  """Proxy of C++ IMP::atom::SecondaryStructureResidue class"""
7430  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7431 
7432  def __init__(self, *args):
7433  """
7434  __init__(IMP::atom::SecondaryStructureResidue self) -> SecondaryStructureResidue
7435  __init__(IMP::atom::SecondaryStructureResidue self, Model m, ParticleIndex id) -> SecondaryStructureResidue
7436  __init__(IMP::atom::SecondaryStructureResidue self, _ParticleAdaptor d) -> SecondaryStructureResidue
7437  """
7438  this = _IMP_atom.new_SecondaryStructureResidue(*args)
7439  try:
7440  self.this.append(this)
7441  except:
7442  self.this = this
7443 
7444  def show(self, *args):
7445  """
7446  show(SecondaryStructureResidue self, _ostream out)
7447  show(SecondaryStructureResidue self)
7448  """
7449  return _IMP_atom.SecondaryStructureResidue_show(self, *args)
7450 
7451 
7452  def setup_particle(*args):
7453  """
7454  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7455  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7456  setup_particle(Particle res_p) -> SecondaryStructureResidue
7457  """
7458  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7459 
7460  setup_particle = staticmethod(setup_particle)
7461 
7462  def get_is_setup(*args):
7463  """
7464  get_is_setup(_ParticleAdaptor p) -> bool
7465  get_is_setup(Model m, ParticleIndex pi) -> bool
7466  """
7467  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7468 
7469  get_is_setup = staticmethod(get_is_setup)
7470 
7471  def get_particle(self):
7472  """get_particle(SecondaryStructureResidue self) -> Particle"""
7473  return _IMP_atom.SecondaryStructureResidue_get_particle(self)
7474 
7475 
7476  def get_all_probabilities(self):
7477  """get_all_probabilities(SecondaryStructureResidue self) -> IMP::Floats"""
7478  return _IMP_atom.SecondaryStructureResidue_get_all_probabilities(self)
7479 
7480 
7481  def get_prob_helix(self):
7482  """get_prob_helix(SecondaryStructureResidue self) -> IMP::Float"""
7483  return _IMP_atom.SecondaryStructureResidue_get_prob_helix(self)
7484 
7485 
7486  def set_prob_helix(self, t):
7487  """set_prob_helix(SecondaryStructureResidue self, IMP::Float t)"""
7488  return _IMP_atom.SecondaryStructureResidue_set_prob_helix(self, t)
7489 
7490 
7491  def get_prob_strand(self):
7492  """get_prob_strand(SecondaryStructureResidue self) -> IMP::Float"""
7493  return _IMP_atom.SecondaryStructureResidue_get_prob_strand(self)
7494 
7495 
7496  def set_prob_strand(self, t):
7497  """set_prob_strand(SecondaryStructureResidue self, IMP::Float t)"""
7498  return _IMP_atom.SecondaryStructureResidue_set_prob_strand(self, t)
7499 
7500 
7501  def get_prob_coil(self):
7502  """get_prob_coil(SecondaryStructureResidue self) -> IMP::Float"""
7503  return _IMP_atom.SecondaryStructureResidue_get_prob_coil(self)
7504 
7505 
7506  def set_prob_coil(self, t):
7507  """set_prob_coil(SecondaryStructureResidue self, IMP::Float t)"""
7508  return _IMP_atom.SecondaryStructureResidue_set_prob_coil(self, t)
7509 
7510 
7511  def get_prob_helix_key():
7512  """get_prob_helix_key() -> FloatKey"""
7513  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7514 
7515  get_prob_helix_key = staticmethod(get_prob_helix_key)
7516 
7517  def get_prob_strand_key():
7518  """get_prob_strand_key() -> FloatKey"""
7519  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7520 
7521  get_prob_strand_key = staticmethod(get_prob_strand_key)
7522 
7523  def get_prob_coil_key():
7524  """get_prob_coil_key() -> FloatKey"""
7525  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7526 
7527  get_prob_coil_key = staticmethod(get_prob_coil_key)
7528 
7529  def add_attribute(self, *args):
7530  """
7531  add_attribute(SecondaryStructureResidue self, FloatKey k, IMP::Float v, bool opt)
7532  add_attribute(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7533  add_attribute(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7534  add_attribute(SecondaryStructureResidue self, FloatsKey a0, IMP::Floats a1)
7535  add_attribute(SecondaryStructureResidue self, IntsKey a0, IMP::Ints a1)
7536  add_attribute(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7537  add_attribute(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7538  add_attribute(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7539  """
7540  return _IMP_atom.SecondaryStructureResidue_add_attribute(self, *args)
7541 
7542 
7543  def get_value(self, *args):
7544  """
7545  get_value(SecondaryStructureResidue self, FloatKey a0) -> IMP::Float
7546  get_value(SecondaryStructureResidue self, IntKey a0) -> IMP::Int
7547  get_value(SecondaryStructureResidue self, FloatsKey a0) -> IMP::Floats
7548  get_value(SecondaryStructureResidue self, IntsKey a0) -> IMP::Ints
7549  get_value(SecondaryStructureResidue self, StringKey a0) -> IMP::String
7550  get_value(SecondaryStructureResidue self, ParticleIndexKey a0) -> Particle
7551  get_value(SecondaryStructureResidue self, ObjectKey a0) -> Object
7552  """
7553  return _IMP_atom.SecondaryStructureResidue_get_value(self, *args)
7554 
7555 
7556  def set_value(self, *args):
7557  """
7558  set_value(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7559  set_value(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7560  set_value(SecondaryStructureResidue self, FloatsKey a0, IMP::Floats a1)
7561  set_value(SecondaryStructureResidue self, IntsKey a0, IMP::Ints a1)
7562  set_value(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7563  set_value(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7564  set_value(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7565  """
7566  return _IMP_atom.SecondaryStructureResidue_set_value(self, *args)
7567 
7568 
7569  def remove_attribute(self, *args):
7570  """
7571  remove_attribute(SecondaryStructureResidue self, FloatKey a0)
7572  remove_attribute(SecondaryStructureResidue self, IntKey a0)
7573  remove_attribute(SecondaryStructureResidue self, FloatsKey a0)
7574  remove_attribute(SecondaryStructureResidue self, IntsKey a0)
7575  remove_attribute(SecondaryStructureResidue self, StringKey a0)
7576  remove_attribute(SecondaryStructureResidue self, ParticleIndexKey a0)
7577  remove_attribute(SecondaryStructureResidue self, ObjectKey a0)
7578  """
7579  return _IMP_atom.SecondaryStructureResidue_remove_attribute(self, *args)
7580 
7581 
7582  def has_attribute(self, *args):
7583  """
7584  has_attribute(SecondaryStructureResidue self, FloatKey a0) -> bool
7585  has_attribute(SecondaryStructureResidue self, IntKey a0) -> bool
7586  has_attribute(SecondaryStructureResidue self, FloatsKey a0) -> bool
7587  has_attribute(SecondaryStructureResidue self, IntsKey a0) -> bool
7588  has_attribute(SecondaryStructureResidue self, StringKey a0) -> bool
7589  has_attribute(SecondaryStructureResidue self, ParticleIndexKey a0) -> bool
7590  has_attribute(SecondaryStructureResidue self, ObjectKey a0) -> bool
7591  """
7592  return _IMP_atom.SecondaryStructureResidue_has_attribute(self, *args)
7593 
7594 
7595  def get_derivative(self, a0):
7596  """get_derivative(SecondaryStructureResidue self, FloatKey a0) -> double"""
7597  return _IMP_atom.SecondaryStructureResidue_get_derivative(self, a0)
7598 
7599 
7600  def get_name(self):
7601  """get_name(SecondaryStructureResidue self) -> std::string"""
7602  return _IMP_atom.SecondaryStructureResidue_get_name(self)
7603 
7604 
7605  def clear_caches(self):
7606  """clear_caches(SecondaryStructureResidue self)"""
7607  return _IMP_atom.SecondaryStructureResidue_clear_caches(self)
7608 
7609 
7610  def set_name(self, a0):
7611  """set_name(SecondaryStructureResidue self, std::string a0)"""
7612  return _IMP_atom.SecondaryStructureResidue_set_name(self, a0)
7613 
7614 
7615  def set_check_level(self, a0):
7616  """set_check_level(SecondaryStructureResidue self, IMP::CheckLevel a0)"""
7617  return _IMP_atom.SecondaryStructureResidue_set_check_level(self, a0)
7618 
7619 
7620  def add_to_derivative(self, a0, a1, a2):
7621  """add_to_derivative(SecondaryStructureResidue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7622  return _IMP_atom.SecondaryStructureResidue_add_to_derivative(self, a0, a1, a2)
7623 
7624 
7625  def set_is_optimized(self, a0, a1):
7626  """set_is_optimized(SecondaryStructureResidue self, FloatKey a0, bool a1)"""
7627  return _IMP_atom.SecondaryStructureResidue_set_is_optimized(self, a0, a1)
7628 
7629 
7630  def get_is_optimized(self, a0):
7631  """get_is_optimized(SecondaryStructureResidue self, FloatKey a0) -> bool"""
7632  return _IMP_atom.SecondaryStructureResidue_get_is_optimized(self, a0)
7633 
7634 
7635  def get_check_level(self):
7636  """get_check_level(SecondaryStructureResidue self) -> IMP::CheckLevel"""
7637  return _IMP_atom.SecondaryStructureResidue_get_check_level(self)
7638 
7639 
7640  def __eq__(self, *args):
7641  """
7642  __eq__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7643  __eq__(SecondaryStructureResidue self, Particle d) -> bool
7644  """
7645  return _IMP_atom.SecondaryStructureResidue___eq__(self, *args)
7646 
7647 
7648  def __ne__(self, *args):
7649  """
7650  __ne__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7651  __ne__(SecondaryStructureResidue self, Particle d) -> bool
7652  """
7653  return _IMP_atom.SecondaryStructureResidue___ne__(self, *args)
7654 
7655 
7656  def __le__(self, *args):
7657  """
7658  __le__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7659  __le__(SecondaryStructureResidue self, Particle d) -> bool
7660  """
7661  return _IMP_atom.SecondaryStructureResidue___le__(self, *args)
7662 
7663 
7664  def __lt__(self, *args):
7665  """
7666  __lt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7667  __lt__(SecondaryStructureResidue self, Particle d) -> bool
7668  """
7669  return _IMP_atom.SecondaryStructureResidue___lt__(self, *args)
7670 
7671 
7672  def __ge__(self, *args):
7673  """
7674  __ge__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7675  __ge__(SecondaryStructureResidue self, Particle d) -> bool
7676  """
7677  return _IMP_atom.SecondaryStructureResidue___ge__(self, *args)
7678 
7679 
7680  def __gt__(self, *args):
7681  """
7682  __gt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7683  __gt__(SecondaryStructureResidue self, Particle d) -> bool
7684  """
7685  return _IMP_atom.SecondaryStructureResidue___gt__(self, *args)
7686 
7687 
7688  def __hash__(self):
7689  """__hash__(SecondaryStructureResidue self) -> std::size_t"""
7690  return _IMP_atom.SecondaryStructureResidue___hash__(self)
7691 
7692 
7693  def __str__(self):
7694  """__str__(SecondaryStructureResidue self) -> std::string"""
7695  return _IMP_atom.SecondaryStructureResidue___str__(self)
7696 
7697 
7698  def __repr__(self):
7699  """__repr__(SecondaryStructureResidue self) -> std::string"""
7700  return _IMP_atom.SecondaryStructureResidue___repr__(self)
7701 
7702  __swig_destroy__ = _IMP_atom.delete_SecondaryStructureResidue
7703  __del__ = lambda self: None
7704 SecondaryStructureResidue_swigregister = _IMP_atom.SecondaryStructureResidue_swigregister
7705 SecondaryStructureResidue_swigregister(SecondaryStructureResidue)
7706 
7707 def SecondaryStructureResidue_setup_particle(*args):
7708  """
7709  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7710  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7711  SecondaryStructureResidue_setup_particle(Particle res_p) -> SecondaryStructureResidue
7712  """
7713  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7714 
7715 def SecondaryStructureResidue_get_is_setup(*args):
7716  """
7717  get_is_setup(_ParticleAdaptor p) -> bool
7718  SecondaryStructureResidue_get_is_setup(Model m, ParticleIndex pi) -> bool
7719  """
7720  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7721 
7722 def SecondaryStructureResidue_get_prob_helix_key():
7723  """SecondaryStructureResidue_get_prob_helix_key() -> FloatKey"""
7724  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7725 
7726 def SecondaryStructureResidue_get_prob_strand_key():
7727  """SecondaryStructureResidue_get_prob_strand_key() -> FloatKey"""
7728  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7729 
7730 def SecondaryStructureResidue_get_prob_coil_key():
7731  """SecondaryStructureResidue_get_prob_coil_key() -> FloatKey"""
7732  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7733 
7734 
7735 def setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res=False):
7736  """
7737  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl, bool winner_takes_all_per_res=False) -> SecondaryStructureResidue
7738  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl) -> SecondaryStructureResidue
7739  """
7740  return _IMP_atom.setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res)
7741 
7742 def setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res=False):
7743  """
7744  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
7745  setup_coarse_secondary_structure_residues(IMP::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num) -> IMP::atom::SecondaryStructureResidues
7746  """
7747  return _IMP_atom.setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res)
7748 
7749 def get_secondary_structure_match_score(ssr1, ssr2):
7750  """get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2) -> IMP::Float"""
7751  return _IMP_atom.get_secondary_structure_match_score(ssr1, ssr2)
7752 
7753 def read_psipred(*args):
7754  """
7755  read_psipred(TextInput inf, Model mdl) -> IMP::atom::SecondaryStructureResidues
7756  read_psipred(TextInput inf, IMP::Particles ps) -> IMP::atom::SecondaryStructureResidues
7757  """
7758  return _IMP_atom.read_psipred(*args)
7759 class _ADopeBase(IMP.PairScore):
7760  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> class"""
7761  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7762  __repr__ = _swig_repr
7763 
7764  def __init__(self, *args):
7765  """
7766  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0, std::string name) -> _ADopeBase
7767  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0) -> _ADopeBase
7768  """
7769  this = _IMP_atom.new__ADopeBase(*args)
7770  try:
7771  self.this.append(this)
7772  except:
7773  self.this = this
7774 
7775  def do_get_inputs(self, m, pis):
7776  """do_get_inputs(_ADopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7777  return _IMP_atom._ADopeBase_do_get_inputs(self, m, pis)
7778 
7779 
7780  def get_score_functor(self):
7781  """get_score_functor(_ADopeBase self) -> Dope"""
7782  return _IMP_atom._ADopeBase_get_score_functor(self)
7783 
7784 
7785  def get_version_info(self):
7786  """get_version_info(_ADopeBase self) -> VersionInfo"""
7787  return _IMP_atom._ADopeBase_get_version_info(self)
7788 
7789 _ADopeBase_swigregister = _IMP_atom._ADopeBase_swigregister
7790 _ADopeBase_swigregister(_ADopeBase)
7791 
7792 class _BDopeBase(IMP.PairScore):
7793  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> class"""
7794  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7795  __repr__ = _swig_repr
7796 
7797  def __init__(self, *args):
7798  """
7799  __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
7800  __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
7801  """
7802  this = _IMP_atom.new__BDopeBase(*args)
7803  try:
7804  self.this.append(this)
7805  except:
7806  self.this = this
7807 
7808  def do_get_inputs(self, m, pis):
7809  """do_get_inputs(_BDopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7810  return _IMP_atom._BDopeBase_do_get_inputs(self, m, pis)
7811 
7812 
7813  def get_score_functor(self):
7814  """get_score_functor(_BDopeBase self) -> _DopeBase"""
7815  return _IMP_atom._BDopeBase_get_score_functor(self)
7816 
7817 
7818  def get_version_info(self):
7819  """get_version_info(_BDopeBase self) -> VersionInfo"""
7820  return _IMP_atom._BDopeBase_get_version_info(self)
7821 
7822 _BDopeBase_swigregister = _IMP_atom._BDopeBase_swigregister
7823 _BDopeBase_swigregister(_BDopeBase)
7824 
7825 class _ALoopStatisticalBase(IMP.PairScore):
7826  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> class"""
7827  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7828  __repr__ = _swig_repr
7829 
7830  def __init__(self, *args):
7831  """
7832  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> self, LoopStatistical t0, std::string name) -> _ALoopStatisticalBase
7833  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> self, LoopStatistical t0) -> _ALoopStatisticalBase
7834  """
7835  this = _IMP_atom.new__ALoopStatisticalBase(*args)
7836  try:
7837  self.this.append(this)
7838  except:
7839  self.this = this
7840 
7841  def do_get_inputs(self, m, pis):
7842  """do_get_inputs(_ALoopStatisticalBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7843  return _IMP_atom._ALoopStatisticalBase_do_get_inputs(self, m, pis)
7844 
7845 
7846  def get_score_functor(self):
7847  """get_score_functor(_ALoopStatisticalBase self) -> LoopStatistical"""
7848  return _IMP_atom._ALoopStatisticalBase_get_score_functor(self)
7849 
7850 
7851  def get_version_info(self):
7852  """get_version_info(_ALoopStatisticalBase self) -> VersionInfo"""
7853  return _IMP_atom._ALoopStatisticalBase_get_version_info(self)
7854 
7855 _ALoopStatisticalBase_swigregister = _IMP_atom._ALoopStatisticalBase_swigregister
7856 _ALoopStatisticalBase_swigregister(_ALoopStatisticalBase)
7857 
7858 class _BLoopStatisticalBase(IMP.PairScore):
7859  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::LoopStatisticalType,false,true,false)>)> class"""
7860  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7861  __repr__ = _swig_repr
7862 
7863  def __init__(self, *args):
7864  """
7865  __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
7866  __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
7867  """
7868  this = _IMP_atom.new__BLoopStatisticalBase(*args)
7869  try:
7870  self.this.append(this)
7871  except:
7872  self.this = this
7873 
7874  def do_get_inputs(self, m, pis):
7875  """do_get_inputs(_BLoopStatisticalBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7876  return _IMP_atom._BLoopStatisticalBase_do_get_inputs(self, m, pis)
7877 
7878 
7879  def get_score_functor(self):
7880  """get_score_functor(_BLoopStatisticalBase self) -> _LoopStatisticalBase"""
7881  return _IMP_atom._BLoopStatisticalBase_get_score_functor(self)
7882 
7883 
7884  def get_version_info(self):
7885  """get_version_info(_BLoopStatisticalBase self) -> VersionInfo"""
7886  return _IMP_atom._BLoopStatisticalBase_get_version_info(self)
7887 
7888 _BLoopStatisticalBase_swigregister = _IMP_atom._BLoopStatisticalBase_swigregister
7889 _BLoopStatisticalBase_swigregister(_BLoopStatisticalBase)
7890 
7891 class _OrientedSoapBase(IMP.PairScore):
7892  """Proxy of C++ IMP::score_functor::DistancePairScoreWithCache<(IMP::score_functor::OrientedSoap)> class"""
7893  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7894  __repr__ = _swig_repr
7895 
7896  def __init__(self, *args):
7897  """
7898  __init__(IMP::score_functor::DistancePairScoreWithCache<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScoreWithCache< IMP::score_functor::OrientedSoap >::DistanceScore const & t0, std::string name) -> _OrientedSoapBase
7899  __init__(IMP::score_functor::DistancePairScoreWithCache<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScoreWithCache< IMP::score_functor::OrientedSoap >::DistanceScore const & t0) -> _OrientedSoapBase
7900  """
7901  this = _IMP_atom.new__OrientedSoapBase(*args)
7902  try:
7903  self.this.append(this)
7904  except:
7905  self.this = this
7906 
7907  def do_get_inputs(self, m, pis):
7908  """do_get_inputs(_OrientedSoapBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7909  return _IMP_atom._OrientedSoapBase_do_get_inputs(self, m, pis)
7910 
7911 
7912  def get_score_functor(self):
7913  """get_score_functor(_OrientedSoapBase self) -> IMP::score_functor::OrientedSoap &"""
7914  return _IMP_atom._OrientedSoapBase_get_score_functor(self)
7915 
7916 
7917  def get_version_info(self):
7918  """get_version_info(_OrientedSoapBase self) -> VersionInfo"""
7919  return _IMP_atom._OrientedSoapBase_get_version_info(self)
7920 
7921 _OrientedSoapBase_swigregister = _IMP_atom._OrientedSoapBase_swigregister
7922 _OrientedSoapBase_swigregister(_OrientedSoapBase)
7923 
7924 class _SPSFTB(IMP.PairScore):
7925  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> class"""
7926  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7927  __repr__ = _swig_repr
7928 
7929  def __init__(self, *args):
7930  """
7931  __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
7932  __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
7933  """
7934  this = _IMP_atom.new__SPSFTB(*args)
7935  try:
7936  self.this.append(this)
7937  except:
7938  self.this = this
7939 
7940  def do_get_inputs(self, m, pis):
7941  """do_get_inputs(_SPSFTB self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7942  return _IMP_atom._SPSFTB_do_get_inputs(self, m, pis)
7943 
7944 
7945  def get_score_functor(self):
7946  """get_score_functor(_SPSFTB self) -> IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false,false > &"""
7947  return _IMP_atom._SPSFTB_get_score_functor(self)
7948 
7949 
7950  def get_version_info(self):
7951  """get_version_info(_SPSFTB self) -> VersionInfo"""
7952  return _IMP_atom._SPSFTB_get_version_info(self)
7953 
7954 _SPSFTB_swigregister = _IMP_atom._SPSFTB_swigregister
7955 _SPSFTB_swigregister(_SPSFTB)
7956 
7957 class _SPSTF(_SPSFTB):
7958  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> class"""
7959  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7960  __repr__ = _swig_repr
7961 
7962  def __init__(self, *args):
7963  """
7964  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file) -> _SPSTF
7965  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSTF
7966  """
7967  this = _IMP_atom.new__SPSTF(*args)
7968  try:
7969  self.this.append(this)
7970  except:
7971  self.this = this
7972  __swig_destroy__ = _IMP_atom.delete__SPSTF
7973  __del__ = lambda self: None
7974 _SPSTF_swigregister = _IMP_atom._SPSTF_swigregister
7975 _SPSTF_swigregister(_SPSTF)
7976 
7977 class _SPSFT(_BDopeBase):
7978  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> class"""
7979  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7980  __repr__ = _swig_repr
7981 
7982  def __init__(self, *args):
7983  """
7984  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFT
7985  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFT
7986  """
7987  this = _IMP_atom.new__SPSFT(*args)
7988  try:
7989  self.this.append(this)
7990  except:
7991  self.this = this
7992  __swig_destroy__ = _IMP_atom.delete__SPSFT
7993  __del__ = lambda self: None
7994 _SPSFT_swigregister = _IMP_atom._SPSFT_swigregister
7995 _SPSFT_swigregister(_SPSFT)
7996 
7997 class _SPSFTL(_BLoopStatisticalBase):
7998  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> class"""
7999  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8000  __repr__ = _swig_repr
8001 
8002  def __init__(self, *args):
8003  """
8004  __init__(IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFTL
8005  __init__(IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFTL
8006  """
8007  this = _IMP_atom.new__SPSFTL(*args)
8008  try:
8009  self.this.append(this)
8010  except:
8011  self.this = this
8012  __swig_destroy__ = _IMP_atom.delete__SPSFTL
8013  __del__ = lambda self: None
8014 _SPSFTL_swigregister = _IMP_atom._SPSFTL_swigregister
8015 _SPSFTL_swigregister(_SPSFTL)
8016 
8017 class ProteinLigandAtomPairScore(_SPSTF):
8018  """Proxy of C++ IMP::atom::ProteinLigandAtomPairScore class"""
8019  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8020 
8021  def __init__(self, *args):
8022  """
8023  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold) -> ProteinLigandAtomPairScore
8024  __init__(IMP::atom::ProteinLigandAtomPairScore self) -> ProteinLigandAtomPairScore
8025  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold, TextInput data_file) -> ProteinLigandAtomPairScore
8026  """
8027  this = _IMP_atom.new_ProteinLigandAtomPairScore(*args)
8028  try:
8029  self.this.append(this)
8030  except:
8031  self.this = this
8032 
8033  def get_maximum_distance(self):
8034  """get_maximum_distance(ProteinLigandAtomPairScore self) -> double"""
8035  return _IMP_atom.ProteinLigandAtomPairScore_get_maximum_distance(self)
8036 
8037 
8038  def __str__(self):
8039  """__str__(ProteinLigandAtomPairScore self) -> std::string"""
8040  return _IMP_atom.ProteinLigandAtomPairScore___str__(self)
8041 
8042 
8043  def __repr__(self):
8044  """__repr__(ProteinLigandAtomPairScore self) -> std::string"""
8045  return _IMP_atom.ProteinLigandAtomPairScore___repr__(self)
8046 
8047 
8048  @staticmethod
8049  def get_from(o):
8050  return _object_cast_to_ProteinLigandAtomPairScore(o)
8051 
8052  __swig_destroy__ = _IMP_atom.delete_ProteinLigandAtomPairScore
8053  __del__ = lambda self: None
8054 ProteinLigandAtomPairScore_swigregister = _IMP_atom.ProteinLigandAtomPairScore_swigregister
8055 ProteinLigandAtomPairScore_swigregister(ProteinLigandAtomPairScore)
8056 
8057 class ProteinLigandRestraint(IMP.container.PairsRestraint):
8058  """Proxy of C++ IMP::atom::ProteinLigandRestraint class"""
8059  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8060 
8061  def __init__(self, *args):
8062  """
8063  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold) -> ProteinLigandRestraint
8064  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand) -> ProteinLigandRestraint
8065  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold, TextInput data_file) -> ProteinLigandRestraint
8066  """
8067  this = _IMP_atom.new_ProteinLigandRestraint(*args)
8068  try:
8069  self.this.append(this)
8070  except:
8071  self.this = this
8072 
8073  def __str__(self):
8074  """__str__(ProteinLigandRestraint self) -> std::string"""
8075  return _IMP_atom.ProteinLigandRestraint___str__(self)
8076 
8077 
8078  def __repr__(self):
8079  """__repr__(ProteinLigandRestraint self) -> std::string"""
8080  return _IMP_atom.ProteinLigandRestraint___repr__(self)
8081 
8082 
8083  @staticmethod
8084  def get_from(o):
8085  return _object_cast_to_ProteinLigandRestraint(o)
8086 
8087  __swig_destroy__ = _IMP_atom.delete_ProteinLigandRestraint
8088  __del__ = lambda self: None
8089 ProteinLigandRestraint_swigregister = _IMP_atom.ProteinLigandRestraint_swigregister
8090 ProteinLigandRestraint_swigregister(ProteinLigandRestraint)
8091 
8092 
8094  """add_protein_ligand_score_data(Hierarchy h)"""
8095  return _IMP_atom.add_protein_ligand_score_data(h)
8096 class AtomType(IMP._Value):
8097  """Proxy of C++ IMP::Key<(8974343)> class"""
8098  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8099 
8100  def __init__(self, *args):
8101  """
8102  __init__(IMP::Key<(8974343)> self) -> AtomType
8103  __init__(IMP::Key<(8974343)> self, std::string const & c, bool is_implicit_add_permitted=True) -> AtomType
8104  __init__(IMP::Key<(8974343)> self, std::string const & c) -> AtomType
8105  __init__(IMP::Key<(8974343)> self, unsigned int i) -> AtomType
8106  """
8107  this = _IMP_atom.new_AtomType(*args)
8108  try:
8109  self.this.append(this)
8110  except:
8111  self.this = this
8112 
8113  def add_key(sc):
8114  """add_key(std::string sc) -> unsigned int"""
8115  return _IMP_atom.AtomType_add_key(sc)
8116 
8117  add_key = staticmethod(add_key)
8118 
8119  def get_key_exists(sc):
8120  """get_key_exists(std::string sc) -> bool"""
8121  return _IMP_atom.AtomType_get_key_exists(sc)
8122 
8123  get_key_exists = staticmethod(get_key_exists)
8124 
8125  def get_string(self):
8126  """get_string(AtomType self) -> std::string const"""
8127  return _IMP_atom.AtomType_get_string(self)
8128 
8129 
8130  def __cmp__(self, o):
8131  """__cmp__(AtomType self, AtomType o) -> int"""
8132  return _IMP_atom.AtomType___cmp__(self, o)
8133 
8134 
8135  def __eq__(self, o):
8136  """__eq__(AtomType self, AtomType o) -> bool"""
8137  return _IMP_atom.AtomType___eq__(self, o)
8138 
8139 
8140  def __ne__(self, o):
8141  """__ne__(AtomType self, AtomType o) -> bool"""
8142  return _IMP_atom.AtomType___ne__(self, o)
8143 
8144 
8145  def __lt__(self, o):
8146  """__lt__(AtomType self, AtomType o) -> bool"""
8147  return _IMP_atom.AtomType___lt__(self, o)
8148 
8149 
8150  def __gt__(self, o):
8151  """__gt__(AtomType self, AtomType o) -> bool"""
8152  return _IMP_atom.AtomType___gt__(self, o)
8153 
8154 
8155  def __ge__(self, o):
8156  """__ge__(AtomType self, AtomType o) -> bool"""
8157  return _IMP_atom.AtomType___ge__(self, o)
8158 
8159 
8160  def __le__(self, o):
8161  """__le__(AtomType self, AtomType o) -> bool"""
8162  return _IMP_atom.AtomType___le__(self, o)
8163 
8164 
8165  def __hash__(self):
8166  """__hash__(AtomType self) -> std::size_t"""
8167  return _IMP_atom.AtomType___hash__(self)
8168 
8169 
8170  def show(self, *args):
8171  """
8172  show(AtomType self, _ostream out)
8173  show(AtomType self)
8174  """
8175  return _IMP_atom.AtomType_show(self, *args)
8176 
8177 
8178  def add_alias(old_key, new_name):
8179  """add_alias(AtomType old_key, std::string new_name) -> AtomType"""
8180  return _IMP_atom.AtomType_add_alias(old_key, new_name)
8181 
8182  add_alias = staticmethod(add_alias)
8183 
8184  def get_number_of_keys():
8185  """get_number_of_keys() -> unsigned int"""
8186  return _IMP_atom.AtomType_get_number_of_keys()
8187 
8188  get_number_of_keys = staticmethod(get_number_of_keys)
8189 
8190  def get_index(self):
8191  """get_index(AtomType self) -> unsigned int"""
8192  return _IMP_atom.AtomType_get_index(self)
8193 
8194 
8195  def show_all(out):
8196  """show_all(_ostream out)"""
8197  return _IMP_atom.AtomType_show_all(out)
8198 
8199  show_all = staticmethod(show_all)
8200 
8201  def get_all_strings():
8202  """get_all_strings() -> IMP::Vector< std::string >"""
8203  return _IMP_atom.AtomType_get_all_strings()
8204 
8205  get_all_strings = staticmethod(get_all_strings)
8206 
8207  def get_number_unique():
8208  """get_number_unique() -> unsigned int"""
8209  return _IMP_atom.AtomType_get_number_unique()
8210 
8211  get_number_unique = staticmethod(get_number_unique)
8212 
8213  def __str__(self):
8214  """__str__(AtomType self) -> std::string"""
8215  return _IMP_atom.AtomType___str__(self)
8216 
8217 
8218  def __repr__(self):
8219  """__repr__(AtomType self) -> std::string"""
8220  return _IMP_atom.AtomType___repr__(self)
8221 
8222  __swig_destroy__ = _IMP_atom.delete_AtomType
8223  __del__ = lambda self: None
8224 AtomType_swigregister = _IMP_atom.AtomType_swigregister
8225 AtomType_swigregister(AtomType)
8226 
8227 def AtomType_add_key(sc):
8228  """AtomType_add_key(std::string sc) -> unsigned int"""
8229  return _IMP_atom.AtomType_add_key(sc)
8230 
8231 def AtomType_get_key_exists(sc):
8232  """AtomType_get_key_exists(std::string sc) -> bool"""
8233  return _IMP_atom.AtomType_get_key_exists(sc)
8234 
8235 def AtomType_add_alias(old_key, new_name):
8236  """AtomType_add_alias(AtomType old_key, std::string new_name) -> AtomType"""
8237  return _IMP_atom.AtomType_add_alias(old_key, new_name)
8238 
8239 def AtomType_get_number_of_keys():
8240  """AtomType_get_number_of_keys() -> unsigned int"""
8241  return _IMP_atom.AtomType_get_number_of_keys()
8242 
8243 def AtomType_show_all(out):
8244  """AtomType_show_all(_ostream out)"""
8245  return _IMP_atom.AtomType_show_all(out)
8246 
8247 def AtomType_get_all_strings():
8248  """AtomType_get_all_strings() -> IMP::Vector< std::string >"""
8249  return _IMP_atom.AtomType_get_all_strings()
8250 
8251 def AtomType_get_number_unique():
8252  """AtomType_get_number_unique() -> unsigned int"""
8253  return _IMP_atom.AtomType_get_number_unique()
8254 
8255 class ResidueType(IMP._Value):
8256  """Proxy of C++ IMP::Key<(90784334)> class"""
8257  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8258 
8259  def __init__(self, *args):
8260  """
8261  __init__(IMP::Key<(90784334)> self) -> ResidueType
8262  __init__(IMP::Key<(90784334)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ResidueType
8263  __init__(IMP::Key<(90784334)> self, std::string const & c) -> ResidueType
8264  __init__(IMP::Key<(90784334)> self, unsigned int i) -> ResidueType
8265  """
8266  this = _IMP_atom.new_ResidueType(*args)
8267  try:
8268  self.this.append(this)
8269  except:
8270  self.this = this
8271 
8272  def add_key(sc):
8273  """add_key(std::string sc) -> unsigned int"""
8274  return _IMP_atom.ResidueType_add_key(sc)
8275 
8276  add_key = staticmethod(add_key)
8277 
8278  def get_key_exists(sc):
8279  """get_key_exists(std::string sc) -> bool"""
8280  return _IMP_atom.ResidueType_get_key_exists(sc)
8281 
8282  get_key_exists = staticmethod(get_key_exists)
8283 
8284  def get_string(self):
8285  """get_string(ResidueType self) -> std::string const"""
8286  return _IMP_atom.ResidueType_get_string(self)
8287 
8288 
8289  def __cmp__(self, o):
8290  """__cmp__(ResidueType self, ResidueType o) -> int"""
8291  return _IMP_atom.ResidueType___cmp__(self, o)
8292 
8293 
8294  def __eq__(self, o):
8295  """__eq__(ResidueType self, ResidueType o) -> bool"""
8296  return _IMP_atom.ResidueType___eq__(self, o)
8297 
8298 
8299  def __ne__(self, o):
8300  """__ne__(ResidueType self, ResidueType o) -> bool"""
8301  return _IMP_atom.ResidueType___ne__(self, o)
8302 
8303 
8304  def __lt__(self, o):
8305  """__lt__(ResidueType self, ResidueType o) -> bool"""
8306  return _IMP_atom.ResidueType___lt__(self, o)
8307 
8308 
8309  def __gt__(self, o):
8310  """__gt__(ResidueType self, ResidueType o) -> bool"""
8311  return _IMP_atom.ResidueType___gt__(self, o)
8312 
8313 
8314  def __ge__(self, o):
8315  """__ge__(ResidueType self, ResidueType o) -> bool"""
8316  return _IMP_atom.ResidueType___ge__(self, o)
8317 
8318 
8319  def __le__(self, o):
8320  """__le__(ResidueType self, ResidueType o) -> bool"""
8321  return _IMP_atom.ResidueType___le__(self, o)
8322 
8323 
8324  def __hash__(self):
8325  """__hash__(ResidueType self) -> std::size_t"""
8326  return _IMP_atom.ResidueType___hash__(self)
8327 
8328 
8329  def show(self, *args):
8330  """
8331  show(ResidueType self, _ostream out)
8332  show(ResidueType self)
8333  """
8334  return _IMP_atom.ResidueType_show(self, *args)
8335 
8336 
8337  def add_alias(old_key, new_name):
8338  """add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
8339  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
8340 
8341  add_alias = staticmethod(add_alias)
8342 
8343  def get_number_of_keys():
8344  """get_number_of_keys() -> unsigned int"""
8345  return _IMP_atom.ResidueType_get_number_of_keys()
8346 
8347  get_number_of_keys = staticmethod(get_number_of_keys)
8348 
8349  def get_index(self):
8350  """get_index(ResidueType self) -> unsigned int"""
8351  return _IMP_atom.ResidueType_get_index(self)
8352 
8353 
8354  def show_all(out):
8355  """show_all(_ostream out)"""
8356  return _IMP_atom.ResidueType_show_all(out)
8357 
8358  show_all = staticmethod(show_all)
8359 
8360  def get_all_strings():
8361  """get_all_strings() -> IMP::Vector< std::string >"""
8362  return _IMP_atom.ResidueType_get_all_strings()
8363 
8364  get_all_strings = staticmethod(get_all_strings)
8365 
8366  def get_number_unique():
8367  """get_number_unique() -> unsigned int"""
8368  return _IMP_atom.ResidueType_get_number_unique()
8369 
8370  get_number_unique = staticmethod(get_number_unique)
8371 
8372  def __str__(self):
8373  """__str__(ResidueType self) -> std::string"""
8374  return _IMP_atom.ResidueType___str__(self)
8375 
8376 
8377  def __repr__(self):
8378  """__repr__(ResidueType self) -> std::string"""
8379  return _IMP_atom.ResidueType___repr__(self)
8380 
8381  __swig_destroy__ = _IMP_atom.delete_ResidueType
8382  __del__ = lambda self: None
8383 ResidueType_swigregister = _IMP_atom.ResidueType_swigregister
8384 ResidueType_swigregister(ResidueType)
8385 
8386 def ResidueType_add_key(sc):
8387  """ResidueType_add_key(std::string sc) -> unsigned int"""
8388  return _IMP_atom.ResidueType_add_key(sc)
8389 
8390 def ResidueType_get_key_exists(sc):
8391  """ResidueType_get_key_exists(std::string sc) -> bool"""
8392  return _IMP_atom.ResidueType_get_key_exists(sc)
8393 
8394 def ResidueType_add_alias(old_key, new_name):
8395  """ResidueType_add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
8396  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
8397 
8398 def ResidueType_get_number_of_keys():
8399  """ResidueType_get_number_of_keys() -> unsigned int"""
8400  return _IMP_atom.ResidueType_get_number_of_keys()
8401 
8402 def ResidueType_show_all(out):
8403  """ResidueType_show_all(_ostream out)"""
8404  return _IMP_atom.ResidueType_show_all(out)
8405 
8406 def ResidueType_get_all_strings():
8407  """ResidueType_get_all_strings() -> IMP::Vector< std::string >"""
8408  return _IMP_atom.ResidueType_get_all_strings()
8409 
8410 def ResidueType_get_number_unique():
8411  """ResidueType_get_number_unique() -> unsigned int"""
8412  return _IMP_atom.ResidueType_get_number_unique()
8413 
8414 class ChainType(IMP._Value):
8415  """Proxy of C++ IMP::Key<(90784336)> class"""
8416  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8417 
8418  def __init__(self, *args):
8419  """
8420  __init__(IMP::Key<(90784336)> self) -> ChainType
8421  __init__(IMP::Key<(90784336)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ChainType
8422  __init__(IMP::Key<(90784336)> self, std::string const & c) -> ChainType
8423  __init__(IMP::Key<(90784336)> self, unsigned int i) -> ChainType
8424  """
8425  this = _IMP_atom.new_ChainType(*args)
8426  try:
8427  self.this.append(this)
8428  except:
8429  self.this = this
8430 
8431  def add_key(sc):
8432  """add_key(std::string sc) -> unsigned int"""
8433  return _IMP_atom.ChainType_add_key(sc)
8434 
8435  add_key = staticmethod(add_key)
8436 
8437  def get_key_exists(sc):
8438  """get_key_exists(std::string sc) -> bool"""
8439  return _IMP_atom.ChainType_get_key_exists(sc)
8440 
8441  get_key_exists = staticmethod(get_key_exists)
8442 
8443  def get_string(self):
8444  """get_string(ChainType self) -> std::string const"""
8445  return _IMP_atom.ChainType_get_string(self)
8446 
8447 
8448  def __cmp__(self, o):
8449  """__cmp__(ChainType self, ChainType o) -> int"""
8450  return _IMP_atom.ChainType___cmp__(self, o)
8451 
8452 
8453  def __eq__(self, o):
8454  """__eq__(ChainType self, ChainType o) -> bool"""
8455  return _IMP_atom.ChainType___eq__(self, o)
8456 
8457 
8458  def __ne__(self, o):
8459  """__ne__(ChainType self, ChainType o) -> bool"""
8460  return _IMP_atom.ChainType___ne__(self, o)
8461 
8462 
8463  def __lt__(self, o):
8464  """__lt__(ChainType self, ChainType o) -> bool"""
8465  return _IMP_atom.ChainType___lt__(self, o)
8466 
8467 
8468  def __gt__(self, o):
8469  """__gt__(ChainType self, ChainType o) -> bool"""
8470  return _IMP_atom.ChainType___gt__(self, o)
8471 
8472 
8473  def __ge__(self, o):
8474  """__ge__(ChainType self, ChainType o) -> bool"""
8475  return _IMP_atom.ChainType___ge__(self, o)
8476 
8477 
8478  def __le__(self, o):
8479  """__le__(ChainType self, ChainType o) -> bool"""
8480  return _IMP_atom.ChainType___le__(self, o)
8481 
8482 
8483  def __hash__(self):
8484  """__hash__(ChainType self) -> std::size_t"""
8485  return _IMP_atom.ChainType___hash__(self)
8486 
8487 
8488  def show(self, *args):
8489  """
8490  show(ChainType self, _ostream out)
8491  show(ChainType self)
8492  """
8493  return _IMP_atom.ChainType_show(self, *args)
8494 
8495 
8496  def add_alias(old_key, new_name):
8497  """add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8498  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8499 
8500  add_alias = staticmethod(add_alias)
8501 
8502  def get_number_of_keys():
8503  """get_number_of_keys() -> unsigned int"""
8504  return _IMP_atom.ChainType_get_number_of_keys()
8505 
8506  get_number_of_keys = staticmethod(get_number_of_keys)
8507 
8508  def get_index(self):
8509  """get_index(ChainType self) -> unsigned int"""
8510  return _IMP_atom.ChainType_get_index(self)
8511 
8512 
8513  def show_all(out):
8514  """show_all(_ostream out)"""
8515  return _IMP_atom.ChainType_show_all(out)
8516 
8517  show_all = staticmethod(show_all)
8518 
8519  def get_all_strings():
8520  """get_all_strings() -> IMP::Vector< std::string >"""
8521  return _IMP_atom.ChainType_get_all_strings()
8522 
8523  get_all_strings = staticmethod(get_all_strings)
8524 
8525  def get_number_unique():
8526  """get_number_unique() -> unsigned int"""
8527  return _IMP_atom.ChainType_get_number_unique()
8528 
8529  get_number_unique = staticmethod(get_number_unique)
8530 
8531  def __str__(self):
8532  """__str__(ChainType self) -> std::string"""
8533  return _IMP_atom.ChainType___str__(self)
8534 
8535 
8536  def __repr__(self):
8537  """__repr__(ChainType self) -> std::string"""
8538  return _IMP_atom.ChainType___repr__(self)
8539 
8540  __swig_destroy__ = _IMP_atom.delete_ChainType
8541  __del__ = lambda self: None
8542 ChainType_swigregister = _IMP_atom.ChainType_swigregister
8543 ChainType_swigregister(ChainType)
8544 
8545 def ChainType_add_key(sc):
8546  """ChainType_add_key(std::string sc) -> unsigned int"""
8547  return _IMP_atom.ChainType_add_key(sc)
8548 
8549 def ChainType_get_key_exists(sc):
8550  """ChainType_get_key_exists(std::string sc) -> bool"""
8551  return _IMP_atom.ChainType_get_key_exists(sc)
8552 
8553 def ChainType_add_alias(old_key, new_name):
8554  """ChainType_add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8555  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8556 
8557 def ChainType_get_number_of_keys():
8558  """ChainType_get_number_of_keys() -> unsigned int"""
8559  return _IMP_atom.ChainType_get_number_of_keys()
8560 
8561 def ChainType_show_all(out):
8562  """ChainType_show_all(_ostream out)"""
8563  return _IMP_atom.ChainType_show_all(out)
8564 
8565 def ChainType_get_all_strings():
8566  """ChainType_get_all_strings() -> IMP::Vector< std::string >"""
8567  return _IMP_atom.ChainType_get_all_strings()
8568 
8569 def ChainType_get_number_unique():
8570  """ChainType_get_number_unique() -> unsigned int"""
8571  return _IMP_atom.ChainType_get_number_unique()
8572 
8573 
8574 _IMP_atom.UNKNOWN_ELEMENT_swigconstant(_IMP_atom)
8575 UNKNOWN_ELEMENT = _IMP_atom.UNKNOWN_ELEMENT
8576 
8577 _IMP_atom.OH_swigconstant(_IMP_atom)
8578 OH = _IMP_atom.OH
8579 
8580 _IMP_atom.H2O_swigconstant(_IMP_atom)
8581 H2O = _IMP_atom.H2O
8582 
8583 _IMP_atom.H_swigconstant(_IMP_atom)
8584 H = _IMP_atom.H
8585 
8586 _IMP_atom.He_swigconstant(_IMP_atom)
8587 He = _IMP_atom.He
8588 
8589 _IMP_atom.Li_swigconstant(_IMP_atom)
8590 Li = _IMP_atom.Li
8591 
8592 _IMP_atom.Be_swigconstant(_IMP_atom)
8593 Be = _IMP_atom.Be
8594 
8595 _IMP_atom.B_swigconstant(_IMP_atom)
8596 B = _IMP_atom.B
8597 
8598 _IMP_atom.C_swigconstant(_IMP_atom)
8599 C = _IMP_atom.C
8600 
8601 _IMP_atom.N_swigconstant(_IMP_atom)
8602 N = _IMP_atom.N
8603 
8604 _IMP_atom.O_swigconstant(_IMP_atom)
8605 O = _IMP_atom.O
8606 
8607 _IMP_atom.F_swigconstant(_IMP_atom)
8608 F = _IMP_atom.F
8609 
8610 _IMP_atom.Ne_swigconstant(_IMP_atom)
8611 Ne = _IMP_atom.Ne
8612 
8613 _IMP_atom.Na_swigconstant(_IMP_atom)
8614 Na = _IMP_atom.Na
8615 
8616 _IMP_atom.Mg_swigconstant(_IMP_atom)
8617 Mg = _IMP_atom.Mg
8618 
8619 _IMP_atom.Al_swigconstant(_IMP_atom)
8620 Al = _IMP_atom.Al
8621 
8622 _IMP_atom.Si_swigconstant(_IMP_atom)
8623 Si = _IMP_atom.Si
8624 
8625 _IMP_atom.P_swigconstant(_IMP_atom)
8626 P = _IMP_atom.P
8627 
8628 _IMP_atom.S_swigconstant(_IMP_atom)
8629 S = _IMP_atom.S
8630 
8631 _IMP_atom.Cl_swigconstant(_IMP_atom)
8632 Cl = _IMP_atom.Cl
8633 
8634 _IMP_atom.Ar_swigconstant(_IMP_atom)
8635 Ar = _IMP_atom.Ar
8636 
8637 _IMP_atom.K_swigconstant(_IMP_atom)
8638 K = _IMP_atom.K
8639 
8640 _IMP_atom.Ca_swigconstant(_IMP_atom)
8641 Ca = _IMP_atom.Ca
8642 
8643 _IMP_atom.Sc_swigconstant(_IMP_atom)
8644 Sc = _IMP_atom.Sc
8645 
8646 _IMP_atom.Ti_swigconstant(_IMP_atom)
8647 Ti = _IMP_atom.Ti
8648 
8649 _IMP_atom.V_swigconstant(_IMP_atom)
8650 V = _IMP_atom.V
8651 
8652 _IMP_atom.Cr_swigconstant(_IMP_atom)
8653 Cr = _IMP_atom.Cr
8654 
8655 _IMP_atom.Mn_swigconstant(_IMP_atom)
8656 Mn = _IMP_atom.Mn
8657 
8658 _IMP_atom.Fe_swigconstant(_IMP_atom)
8659 Fe = _IMP_atom.Fe
8660 
8661 _IMP_atom.Co_swigconstant(_IMP_atom)
8662 Co = _IMP_atom.Co
8663 
8664 _IMP_atom.Ni_swigconstant(_IMP_atom)
8665 Ni = _IMP_atom.Ni
8666 
8667 _IMP_atom.Cu_swigconstant(_IMP_atom)
8668 Cu = _IMP_atom.Cu
8669 
8670 _IMP_atom.Zn_swigconstant(_IMP_atom)
8671 Zn = _IMP_atom.Zn
8672 
8673 _IMP_atom.Ga_swigconstant(_IMP_atom)
8674 Ga = _IMP_atom.Ga
8675 
8676 _IMP_atom.Ge_swigconstant(_IMP_atom)
8677 Ge = _IMP_atom.Ge
8678 
8679 _IMP_atom.As_swigconstant(_IMP_atom)
8680 As = _IMP_atom.As
8681 
8682 _IMP_atom.Se_swigconstant(_IMP_atom)
8683 Se = _IMP_atom.Se
8684 
8685 _IMP_atom.Br_swigconstant(_IMP_atom)
8686 Br = _IMP_atom.Br
8687 
8688 _IMP_atom.Kr_swigconstant(_IMP_atom)
8689 Kr = _IMP_atom.Kr
8690 
8691 _IMP_atom.Rb_swigconstant(_IMP_atom)
8692 Rb = _IMP_atom.Rb
8693 
8694 _IMP_atom.Sr_swigconstant(_IMP_atom)
8695 Sr = _IMP_atom.Sr
8696 
8697 _IMP_atom.Y_swigconstant(_IMP_atom)
8698 Y = _IMP_atom.Y
8699 
8700 _IMP_atom.Zr_swigconstant(_IMP_atom)
8701 Zr = _IMP_atom.Zr
8702 
8703 _IMP_atom.Nb_swigconstant(_IMP_atom)
8704 Nb = _IMP_atom.Nb
8705 
8706 _IMP_atom.Mo_swigconstant(_IMP_atom)
8707 Mo = _IMP_atom.Mo
8708 
8709 _IMP_atom.Tc_swigconstant(_IMP_atom)
8710 Tc = _IMP_atom.Tc
8711 
8712 _IMP_atom.Ru_swigconstant(_IMP_atom)
8713 Ru = _IMP_atom.Ru
8714 
8715 _IMP_atom.Rh_swigconstant(_IMP_atom)
8716 Rh = _IMP_atom.Rh
8717 
8718 _IMP_atom.Pd_swigconstant(_IMP_atom)
8719 Pd = _IMP_atom.Pd
8720 
8721 _IMP_atom.Ag_swigconstant(_IMP_atom)
8722 Ag = _IMP_atom.Ag
8723 
8724 _IMP_atom.Cd_swigconstant(_IMP_atom)
8725 Cd = _IMP_atom.Cd
8726 
8727 _IMP_atom.In_swigconstant(_IMP_atom)
8728 In = _IMP_atom.In
8729 
8730 _IMP_atom.Sn_swigconstant(_IMP_atom)
8731 Sn = _IMP_atom.Sn
8732 
8733 _IMP_atom.Sb_swigconstant(_IMP_atom)
8734 Sb = _IMP_atom.Sb
8735 
8736 _IMP_atom.Te_swigconstant(_IMP_atom)
8737 Te = _IMP_atom.Te
8738 
8739 _IMP_atom.I_swigconstant(_IMP_atom)
8740 I = _IMP_atom.I
8741 
8742 _IMP_atom.Xe_swigconstant(_IMP_atom)
8743 Xe = _IMP_atom.Xe
8744 
8745 _IMP_atom.Cs_swigconstant(_IMP_atom)
8746 Cs = _IMP_atom.Cs
8747 
8748 _IMP_atom.Ba_swigconstant(_IMP_atom)
8749 Ba = _IMP_atom.Ba
8750 
8751 _IMP_atom.La_swigconstant(_IMP_atom)
8752 La = _IMP_atom.La
8753 
8754 _IMP_atom.Ce_swigconstant(_IMP_atom)
8755 Ce = _IMP_atom.Ce
8756 
8757 _IMP_atom.Pr_swigconstant(_IMP_atom)
8758 Pr = _IMP_atom.Pr
8759 
8760 _IMP_atom.Nd_swigconstant(_IMP_atom)
8761 Nd = _IMP_atom.Nd
8762 
8763 _IMP_atom.Pm_swigconstant(_IMP_atom)
8764 Pm = _IMP_atom.Pm
8765 
8766 _IMP_atom.Sm_swigconstant(_IMP_atom)
8767 Sm = _IMP_atom.Sm
8768 
8769 _IMP_atom.Eu_swigconstant(_IMP_atom)
8770 Eu = _IMP_atom.Eu
8771 
8772 _IMP_atom.Gd_swigconstant(_IMP_atom)
8773 Gd = _IMP_atom.Gd
8774 
8775 _IMP_atom.Tb_swigconstant(_IMP_atom)
8776 Tb = _IMP_atom.Tb
8777 
8778 _IMP_atom.Dy_swigconstant(_IMP_atom)
8779 Dy = _IMP_atom.Dy
8780 
8781 _IMP_atom.Ho_swigconstant(_IMP_atom)
8782 Ho = _IMP_atom.Ho
8783 
8784 _IMP_atom.Er_swigconstant(_IMP_atom)
8785 Er = _IMP_atom.Er
8786 
8787 _IMP_atom.Tm_swigconstant(_IMP_atom)
8788 Tm = _IMP_atom.Tm
8789 
8790 _IMP_atom.Yb_swigconstant(_IMP_atom)
8791 Yb = _IMP_atom.Yb
8792 
8793 _IMP_atom.Lu_swigconstant(_IMP_atom)
8794 Lu = _IMP_atom.Lu
8795 
8796 _IMP_atom.Hf_swigconstant(_IMP_atom)
8797 Hf = _IMP_atom.Hf
8798 
8799 _IMP_atom.Ta_swigconstant(_IMP_atom)
8800 Ta = _IMP_atom.Ta
8801 
8802 _IMP_atom.W_swigconstant(_IMP_atom)
8803 W = _IMP_atom.W
8804 
8805 _IMP_atom.Re_swigconstant(_IMP_atom)
8806 Re = _IMP_atom.Re
8807 
8808 _IMP_atom.Os_swigconstant(_IMP_atom)
8809 Os = _IMP_atom.Os
8810 
8811 _IMP_atom.Ir_swigconstant(_IMP_atom)
8812 Ir = _IMP_atom.Ir
8813 
8814 _IMP_atom.Pt_swigconstant(_IMP_atom)
8815 Pt = _IMP_atom.Pt
8816 
8817 _IMP_atom.Au_swigconstant(_IMP_atom)
8818 Au = _IMP_atom.Au
8819 
8820 _IMP_atom.Hg_swigconstant(_IMP_atom)
8821 Hg = _IMP_atom.Hg
8822 
8823 _IMP_atom.Tl_swigconstant(_IMP_atom)
8824 Tl = _IMP_atom.Tl
8825 
8826 _IMP_atom.Pb_swigconstant(_IMP_atom)
8827 Pb = _IMP_atom.Pb
8828 
8829 _IMP_atom.Bi_swigconstant(_IMP_atom)
8830 Bi = _IMP_atom.Bi
8831 
8832 _IMP_atom.Po_swigconstant(_IMP_atom)
8833 Po = _IMP_atom.Po
8834 
8835 _IMP_atom.At_swigconstant(_IMP_atom)
8836 At = _IMP_atom.At
8837 
8838 _IMP_atom.Rn_swigconstant(_IMP_atom)
8839 Rn = _IMP_atom.Rn
8840 
8841 _IMP_atom.Fr_swigconstant(_IMP_atom)
8842 Fr = _IMP_atom.Fr
8843 
8844 _IMP_atom.Ra_swigconstant(_IMP_atom)
8845 Ra = _IMP_atom.Ra
8846 
8847 _IMP_atom.Ac_swigconstant(_IMP_atom)
8848 Ac = _IMP_atom.Ac
8849 
8850 _IMP_atom.Th_swigconstant(_IMP_atom)
8851 Th = _IMP_atom.Th
8852 
8853 _IMP_atom.Pa_swigconstant(_IMP_atom)
8854 Pa = _IMP_atom.Pa
8855 
8856 _IMP_atom.U_swigconstant(_IMP_atom)
8857 U = _IMP_atom.U
8858 
8859 _IMP_atom.Np_swigconstant(_IMP_atom)
8860 Np = _IMP_atom.Np
8861 
8862 _IMP_atom.Pu_swigconstant(_IMP_atom)
8863 Pu = _IMP_atom.Pu
8864 
8865 _IMP_atom.Am_swigconstant(_IMP_atom)
8866 Am = _IMP_atom.Am
8867 
8868 _IMP_atom.Cm_swigconstant(_IMP_atom)
8869 Cm = _IMP_atom.Cm
8870 
8871 _IMP_atom.Bk_swigconstant(_IMP_atom)
8872 Bk = _IMP_atom.Bk
8873 
8874 _IMP_atom.Cf_swigconstant(_IMP_atom)
8875 Cf = _IMP_atom.Cf
8876 
8877 _IMP_atom.Es_swigconstant(_IMP_atom)
8878 Es = _IMP_atom.Es
8879 
8880 _IMP_atom.Fm_swigconstant(_IMP_atom)
8881 Fm = _IMP_atom.Fm
8882 
8883 _IMP_atom.Md_swigconstant(_IMP_atom)
8884 Md = _IMP_atom.Md
8885 
8886 _IMP_atom.No_swigconstant(_IMP_atom)
8887 No = _IMP_atom.No
8888 
8889 _IMP_atom.Lr_swigconstant(_IMP_atom)
8890 Lr = _IMP_atom.Lr
8891 
8892 _IMP_atom.Db_swigconstant(_IMP_atom)
8893 Db = _IMP_atom.Db
8894 
8895 _IMP_atom.Jl_swigconstant(_IMP_atom)
8896 Jl = _IMP_atom.Jl
8897 
8898 _IMP_atom.Rf_swigconstant(_IMP_atom)
8899 Rf = _IMP_atom.Rf
8900 
8901 _IMP_atom.NUMBER_OF_ELEMENTS_swigconstant(_IMP_atom)
8902 NUMBER_OF_ELEMENTS = _IMP_atom.NUMBER_OF_ELEMENTS
8903 
8904 def hash_value(e):
8905  """hash_value(IMP::atom::Element e) -> size_t"""
8906  return _IMP_atom.hash_value(e)
8907 class ElementTable(object):
8908  """Proxy of C++ IMP::atom::ElementTable class"""
8909  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8910  __repr__ = _swig_repr
8911 
8912  def __init__(self):
8913  """__init__(IMP::atom::ElementTable self) -> ElementTable"""
8914  this = _IMP_atom.new_ElementTable()
8915  try:
8916  self.this.append(this)
8917  except:
8918  self.this = this
8919 
8920  def get_element(self, s):
8921  """get_element(ElementTable self, std::string const & s) -> IMP::atom::Element"""
8922  return _IMP_atom.ElementTable_get_element(self, s)
8923 
8924 
8925  def get_name(self, e):
8926  """get_name(ElementTable self, IMP::atom::Element e) -> std::string"""
8927  return _IMP_atom.ElementTable_get_name(self, e)
8928 
8929 
8930  def get_mass(self, e):
8931  """get_mass(ElementTable self, IMP::atom::Element e) -> IMP::Float"""
8932  return _IMP_atom.ElementTable_get_mass(self, e)
8933 
8934  __swig_destroy__ = _IMP_atom.delete_ElementTable
8935  __del__ = lambda self: None
8936 ElementTable_swigregister = _IMP_atom.ElementTable_swigregister
8937 ElementTable_swigregister(ElementTable)
8938 
8939 
8940 def get_element_table():
8941  """get_element_table() -> ElementTable"""
8942  return _IMP_atom.get_element_table()
8943 class Atom(Hierarchy):
8944  """Proxy of C++ IMP::atom::Atom class"""
8945  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8946 
8947  def __init__(self, *args):
8948  """
8949  __init__(IMP::atom::Atom self) -> Atom
8950  __init__(IMP::atom::Atom self, Model m, ParticleIndex id) -> Atom
8951  __init__(IMP::atom::Atom self, _ParticleAdaptor d) -> Atom
8952  """
8953  this = _IMP_atom.new_Atom(*args)
8954  try:
8955  self.this.append(this)
8956  except:
8957  self.this = this
8958 
8959  def show(self, *args):
8960  """
8961  show(Atom self, _ostream out)
8962  show(Atom self)
8963  """
8964  return _IMP_atom.Atom_show(self, *args)
8965 
8966 
8967  def setup_particle(*args):
8968  """
8969  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
8970  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
8971  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
8972  setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
8973  """
8974  return _IMP_atom.Atom_setup_particle(*args)
8975 
8976  setup_particle = staticmethod(setup_particle)
8977 
8978  def get_is_setup(*args):
8979  """
8980  get_is_setup(_ParticleAdaptor p) -> bool
8981  get_is_setup(Model m, ParticleIndex pi) -> bool
8982  """
8983  return _IMP_atom.Atom_get_is_setup(*args)
8984 
8985  get_is_setup = staticmethod(get_is_setup)
8986 
8987  def get_atom_type(self):
8988  """get_atom_type(Atom self) -> AtomType"""
8989  return _IMP_atom.Atom_get_atom_type(self)
8990 
8991 
8992  def set_atom_type(self, t):
8993  """set_atom_type(Atom self, AtomType t)"""
8994  return _IMP_atom.Atom_set_atom_type(self, t)
8995 
8996 
8997  def get_element(self):
8998  """get_element(Atom self) -> IMP::atom::Element"""
8999  return _IMP_atom.Atom_get_element(self)
9000 
9001 
9002  def set_element(self, e):
9003  """set_element(Atom self, IMP::atom::Element e)"""
9004  return _IMP_atom.Atom_set_element(self, e)
9005 
9006 
9007  def get_occupancy(self):
9008  """get_occupancy(Atom self) -> double"""
9009  return _IMP_atom.Atom_get_occupancy(self)
9010 
9011 
9012  def set_occupancy(self, occupancy):
9013  """set_occupancy(Atom self, double occupancy)"""
9014  return _IMP_atom.Atom_set_occupancy(self, occupancy)
9015 
9016 
9017  def get_temperature_factor(self):
9018  """get_temperature_factor(Atom self) -> double"""
9019  return _IMP_atom.Atom_get_temperature_factor(self)
9020 
9021 
9022  def set_temperature_factor(self, tempFactor):
9023  """set_temperature_factor(Atom self, double tempFactor)"""
9024  return _IMP_atom.Atom_set_temperature_factor(self, tempFactor)
9025 
9026 
9027  def get_input_index(self):
9028  """get_input_index(Atom self) -> IMP::Int"""
9029  return _IMP_atom.Atom_get_input_index(self)
9030 
9031 
9032  def set_input_index(self, t):
9033  """set_input_index(Atom self, IMP::Int t)"""
9034  return _IMP_atom.Atom_set_input_index(self, t)
9035 
9036 
9037  def get_atom_type_key():
9038  """get_atom_type_key() -> IntKey"""
9039  return _IMP_atom.Atom_get_atom_type_key()
9040 
9041  get_atom_type_key = staticmethod(get_atom_type_key)
9042 
9043  def get_element_key():
9044  """get_element_key() -> IntKey"""
9045  return _IMP_atom.Atom_get_element_key()
9046 
9047  get_element_key = staticmethod(get_element_key)
9048 
9049  def get_input_index_key():
9050  """get_input_index_key() -> IntKey"""
9051  return _IMP_atom.Atom_get_input_index_key()
9052 
9053  get_input_index_key = staticmethod(get_input_index_key)
9054 
9055  def get_occupancy_key():
9056  """get_occupancy_key() -> FloatKey"""
9057  return _IMP_atom.Atom_get_occupancy_key()
9058 
9059  get_occupancy_key = staticmethod(get_occupancy_key)
9060 
9061  def get_temperature_factor_key():
9062  """get_temperature_factor_key() -> FloatKey"""
9063  return _IMP_atom.Atom_get_temperature_factor_key()
9064 
9065  get_temperature_factor_key = staticmethod(get_temperature_factor_key)
9066 
9067  def add_attribute(self, *args):
9068  """
9069  add_attribute(Atom self, FloatKey k, IMP::Float v, bool opt)
9070  add_attribute(Atom self, FloatKey a0, IMP::Float a1)
9071  add_attribute(Atom self, IntKey a0, IMP::Int a1)
9072  add_attribute(Atom self, FloatsKey a0, IMP::Floats a1)
9073  add_attribute(Atom self, IntsKey a0, IMP::Ints a1)
9074  add_attribute(Atom self, StringKey a0, IMP::String a1)
9075  add_attribute(Atom self, ParticleIndexKey a0, Particle a1)
9076  add_attribute(Atom self, ObjectKey a0, Object a1)
9077  """
9078  return _IMP_atom.Atom_add_attribute(self, *args)
9079 
9080 
9081  def get_value(self, *args):
9082  """
9083  get_value(Atom self, FloatKey a0) -> IMP::Float
9084  get_value(Atom self, IntKey a0) -> IMP::Int
9085  get_value(Atom self, FloatsKey a0) -> IMP::Floats
9086  get_value(Atom self, IntsKey a0) -> IMP::Ints
9087  get_value(Atom self, StringKey a0) -> IMP::String
9088  get_value(Atom self, ParticleIndexKey a0) -> Particle
9089  get_value(Atom self, ObjectKey a0) -> Object
9090  """
9091  return _IMP_atom.Atom_get_value(self, *args)
9092 
9093 
9094  def set_value(self, *args):
9095  """
9096  set_value(Atom self, FloatKey a0, IMP::Float a1)
9097  set_value(Atom self, IntKey a0, IMP::Int a1)
9098  set_value(Atom self, FloatsKey a0, IMP::Floats a1)
9099  set_value(Atom self, IntsKey a0, IMP::Ints a1)
9100  set_value(Atom self, StringKey a0, IMP::String a1)
9101  set_value(Atom self, ParticleIndexKey a0, Particle a1)
9102  set_value(Atom self, ObjectKey a0, Object a1)
9103  """
9104  return _IMP_atom.Atom_set_value(self, *args)
9105 
9106 
9107  def remove_attribute(self, *args):
9108  """
9109  remove_attribute(Atom self, FloatKey a0)
9110  remove_attribute(Atom self, IntKey a0)
9111  remove_attribute(Atom self, FloatsKey a0)
9112  remove_attribute(Atom self, IntsKey a0)
9113  remove_attribute(Atom self, StringKey a0)
9114  remove_attribute(Atom self, ParticleIndexKey a0)
9115  remove_attribute(Atom self, ObjectKey a0)
9116  """
9117  return _IMP_atom.Atom_remove_attribute(self, *args)
9118 
9119 
9120  def has_attribute(self, *args):
9121  """
9122  has_attribute(Atom self, FloatKey a0) -> bool
9123  has_attribute(Atom self, IntKey a0) -> bool
9124  has_attribute(Atom self, FloatsKey a0) -> bool
9125  has_attribute(Atom self, IntsKey a0) -> bool
9126  has_attribute(Atom self, StringKey a0) -> bool
9127  has_attribute(Atom self, ParticleIndexKey a0) -> bool
9128  has_attribute(Atom self, ObjectKey a0) -> bool
9129  """
9130  return _IMP_atom.Atom_has_attribute(self, *args)
9131 
9132 
9133  def get_derivative(self, a0):
9134  """get_derivative(Atom self, FloatKey a0) -> double"""
9135  return _IMP_atom.Atom_get_derivative(self, a0)
9136 
9137 
9138  def get_name(self):
9139  """get_name(Atom self) -> std::string"""
9140  return _IMP_atom.Atom_get_name(self)
9141 
9142 
9143  def clear_caches(self):
9144  """clear_caches(Atom self)"""
9145  return _IMP_atom.Atom_clear_caches(self)
9146 
9147 
9148  def set_name(self, a0):
9149  """set_name(Atom self, std::string a0)"""
9150  return _IMP_atom.Atom_set_name(self, a0)
9151 
9152 
9153  def set_check_level(self, a0):
9154  """set_check_level(Atom self, IMP::CheckLevel a0)"""
9155  return _IMP_atom.Atom_set_check_level(self, a0)
9156 
9157 
9158  def add_to_derivative(self, a0, a1, a2):
9159  """add_to_derivative(Atom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9160  return _IMP_atom.Atom_add_to_derivative(self, a0, a1, a2)
9161 
9162 
9163  def set_is_optimized(self, a0, a1):
9164  """set_is_optimized(Atom self, FloatKey a0, bool a1)"""
9165  return _IMP_atom.Atom_set_is_optimized(self, a0, a1)
9166 
9167 
9168  def get_is_optimized(self, a0):
9169  """get_is_optimized(Atom self, FloatKey a0) -> bool"""
9170  return _IMP_atom.Atom_get_is_optimized(self, a0)
9171 
9172 
9173  def get_check_level(self):
9174  """get_check_level(Atom self) -> IMP::CheckLevel"""
9175  return _IMP_atom.Atom_get_check_level(self)
9176 
9177 
9178  def __eq__(self, *args):
9179  """
9180  __eq__(Atom self, Atom o) -> bool
9181  __eq__(Atom self, Particle d) -> bool
9182  """
9183  return _IMP_atom.Atom___eq__(self, *args)
9184 
9185 
9186  def __ne__(self, *args):
9187  """
9188  __ne__(Atom self, Atom o) -> bool
9189  __ne__(Atom self, Particle d) -> bool
9190  """
9191  return _IMP_atom.Atom___ne__(self, *args)
9192 
9193 
9194  def __le__(self, *args):
9195  """
9196  __le__(Atom self, Atom o) -> bool
9197  __le__(Atom self, Particle d) -> bool
9198  """
9199  return _IMP_atom.Atom___le__(self, *args)
9200 
9201 
9202  def __lt__(self, *args):
9203  """
9204  __lt__(Atom self, Atom o) -> bool
9205  __lt__(Atom self, Particle d) -> bool
9206  """
9207  return _IMP_atom.Atom___lt__(self, *args)
9208 
9209 
9210  def __ge__(self, *args):
9211  """
9212  __ge__(Atom self, Atom o) -> bool
9213  __ge__(Atom self, Particle d) -> bool
9214  """
9215  return _IMP_atom.Atom___ge__(self, *args)
9216 
9217 
9218  def __gt__(self, *args):
9219  """
9220  __gt__(Atom self, Atom o) -> bool
9221  __gt__(Atom self, Particle d) -> bool
9222  """
9223  return _IMP_atom.Atom___gt__(self, *args)
9224 
9225 
9226  def __hash__(self):
9227  """__hash__(Atom self) -> std::size_t"""
9228  return _IMP_atom.Atom___hash__(self)
9229 
9230 
9231  def __str__(self):
9232  """__str__(Atom self) -> std::string"""
9233  return _IMP_atom.Atom___str__(self)
9234 
9235 
9236  def __repr__(self):
9237  """__repr__(Atom self) -> std::string"""
9238  return _IMP_atom.Atom___repr__(self)
9239 
9240  __swig_destroy__ = _IMP_atom.delete_Atom
9241  __del__ = lambda self: None
9242 Atom_swigregister = _IMP_atom.Atom_swigregister
9243 Atom_swigregister(Atom)
9244 AT_UNKNOWN = cvar.AT_UNKNOWN
9245 AT_N = cvar.AT_N
9246 AT_CA = cvar.AT_CA
9247 AT_C = cvar.AT_C
9248 AT_O = cvar.AT_O
9249 AT_H = cvar.AT_H
9250 AT_H1 = cvar.AT_H1
9251 AT_H2 = cvar.AT_H2
9252 AT_H3 = cvar.AT_H3
9253 AT_HA = cvar.AT_HA
9254 AT_HA1 = cvar.AT_HA1
9255 AT_HA2 = cvar.AT_HA2
9256 AT_HA3 = cvar.AT_HA3
9257 AT_CB = cvar.AT_CB
9258 AT_HB = cvar.AT_HB
9259 AT_HB1 = cvar.AT_HB1
9260 AT_HB2 = cvar.AT_HB2
9261 AT_HB3 = cvar.AT_HB3
9262 AT_OXT = cvar.AT_OXT
9263 AT_CH3 = cvar.AT_CH3
9264 AT_CH = cvar.AT_CH
9265 AT_CG = cvar.AT_CG
9266 AT_CG1 = cvar.AT_CG1
9267 AT_CG2 = cvar.AT_CG2
9268 AT_HG = cvar.AT_HG
9269 AT_HG1 = cvar.AT_HG1
9270 AT_HG2 = cvar.AT_HG2
9271 AT_HG3 = cvar.AT_HG3
9272 AT_HG11 = cvar.AT_HG11
9273 AT_HG21 = cvar.AT_HG21
9274 AT_HG31 = cvar.AT_HG31
9275 AT_HG12 = cvar.AT_HG12
9276 AT_HG13 = cvar.AT_HG13
9277 AT_HG22 = cvar.AT_HG22
9278 AT_HG23 = cvar.AT_HG23
9279 AT_HG32 = cvar.AT_HG32
9280 AT_OG = cvar.AT_OG
9281 AT_OG1 = cvar.AT_OG1
9282 AT_SG = cvar.AT_SG
9283 AT_CD = cvar.AT_CD
9284 AT_CD1 = cvar.AT_CD1
9285 AT_CD2 = cvar.AT_CD2
9286 AT_HD = cvar.AT_HD
9287 AT_HD1 = cvar.AT_HD1
9288 AT_HD2 = cvar.AT_HD2
9289 AT_HD3 = cvar.AT_HD3
9290 AT_HD11 = cvar.AT_HD11
9291 AT_HD21 = cvar.AT_HD21
9292 AT_HD31 = cvar.AT_HD31
9293 AT_HD12 = cvar.AT_HD12
9294 AT_HD13 = cvar.AT_HD13
9295 AT_HD22 = cvar.AT_HD22
9296 AT_HD23 = cvar.AT_HD23
9297 AT_HD32 = cvar.AT_HD32
9298 AT_SD = cvar.AT_SD
9299 AT_OD1 = cvar.AT_OD1
9300 AT_OD2 = cvar.AT_OD2
9301 AT_ND1 = cvar.AT_ND1
9302 AT_ND2 = cvar.AT_ND2
9303 AT_CE = cvar.AT_CE
9304 AT_CE1 = cvar.AT_CE1
9305 AT_CE2 = cvar.AT_CE2
9306 AT_CE3 = cvar.AT_CE3
9307 AT_HE = cvar.AT_HE
9308 AT_HE1 = cvar.AT_HE1
9309 AT_HE2 = cvar.AT_HE2
9310 AT_HE3 = cvar.AT_HE3
9311 AT_HE21 = cvar.AT_HE21
9312 AT_HE22 = cvar.AT_HE22
9313 AT_OE1 = cvar.AT_OE1
9314 AT_OE2 = cvar.AT_OE2
9315 AT_NE = cvar.AT_NE
9316 AT_NE1 = cvar.AT_NE1
9317 AT_NE2 = cvar.AT_NE2
9318 AT_CZ = cvar.AT_CZ
9319 AT_CZ2 = cvar.AT_CZ2
9320 AT_CZ3 = cvar.AT_CZ3
9321 AT_NZ = cvar.AT_NZ
9322 AT_HZ = cvar.AT_HZ
9323 AT_HZ1 = cvar.AT_HZ1
9324 AT_HZ2 = cvar.AT_HZ2
9325 AT_HZ3 = cvar.AT_HZ3
9326 AT_CH2 = cvar.AT_CH2
9327 AT_NH1 = cvar.AT_NH1
9328 AT_NH2 = cvar.AT_NH2
9329 AT_OH = cvar.AT_OH
9330 AT_HH = cvar.AT_HH
9331 AT_HH11 = cvar.AT_HH11
9332 AT_HH21 = cvar.AT_HH21
9333 AT_HH2 = cvar.AT_HH2
9334 AT_HH12 = cvar.AT_HH12
9335 AT_HH22 = cvar.AT_HH22
9336 AT_HH13 = cvar.AT_HH13
9337 AT_HH23 = cvar.AT_HH23
9338 AT_HH33 = cvar.AT_HH33
9339 AT_P = cvar.AT_P
9340 AT_OP1 = cvar.AT_OP1
9341 AT_OP2 = cvar.AT_OP2
9342 AT_OP3 = cvar.AT_OP3
9343 AT_O5p = cvar.AT_O5p
9344 AT_C5p = cvar.AT_C5p
9345 AT_H5p = cvar.AT_H5p
9346 AT_H5pp = cvar.AT_H5pp
9347 AT_C4p = cvar.AT_C4p
9348 AT_H4p = cvar.AT_H4p
9349 AT_O4p = cvar.AT_O4p
9350 AT_C1p = cvar.AT_C1p
9351 AT_H1p = cvar.AT_H1p
9352 AT_C3p = cvar.AT_C3p
9353 AT_H3p = cvar.AT_H3p
9354 AT_O3p = cvar.AT_O3p
9355 AT_C2p = cvar.AT_C2p
9356 AT_H2p = cvar.AT_H2p
9357 AT_H2pp = cvar.AT_H2pp
9358 AT_O2p = cvar.AT_O2p
9359 AT_HO2p = cvar.AT_HO2p
9360 AT_N9 = cvar.AT_N9
9361 AT_C8 = cvar.AT_C8
9362 AT_H8 = cvar.AT_H8
9363 AT_N7 = cvar.AT_N7
9364 AT_C5 = cvar.AT_C5
9365 AT_C4 = cvar.AT_C4
9366 AT_N3 = cvar.AT_N3
9367 AT_C2 = cvar.AT_C2
9368 AT_N1 = cvar.AT_N1
9369 AT_C6 = cvar.AT_C6
9370 AT_N6 = cvar.AT_N6
9371 AT_H61 = cvar.AT_H61
9372 AT_H62 = cvar.AT_H62
9373 AT_O6 = cvar.AT_O6
9374 AT_N2 = cvar.AT_N2
9375 AT_NT = cvar.AT_NT
9376 AT_H21 = cvar.AT_H21
9377 AT_H22 = cvar.AT_H22
9378 AT_H6 = cvar.AT_H6
9379 AT_H5 = cvar.AT_H5
9380 AT_O2 = cvar.AT_O2
9381 AT_N4 = cvar.AT_N4
9382 AT_H41 = cvar.AT_H41
9383 AT_H42 = cvar.AT_H42
9384 AT_O4 = cvar.AT_O4
9385 AT_C7 = cvar.AT_C7
9386 AT_H71 = cvar.AT_H71
9387 AT_H72 = cvar.AT_H72
9388 AT_H73 = cvar.AT_H73
9389 AT_O1A = cvar.AT_O1A
9390 AT_O2A = cvar.AT_O2A
9391 AT_O3A = cvar.AT_O3A
9392 AT_O1B = cvar.AT_O1B
9393 AT_O2B = cvar.AT_O2B
9394 AT_O3B = cvar.AT_O3B
9395 
9396 def Atom_setup_particle(*args):
9397  """
9398  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
9399  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
9400  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
9401  Atom_setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
9402  """
9403  return _IMP_atom.Atom_setup_particle(*args)
9404 
9405 def Atom_get_is_setup(*args):
9406  """
9407  get_is_setup(_ParticleAdaptor p) -> bool
9408  Atom_get_is_setup(Model m, ParticleIndex pi) -> bool
9409  """
9410  return _IMP_atom.Atom_get_is_setup(*args)
9411 
9412 def Atom_get_atom_type_key():
9413  """Atom_get_atom_type_key() -> IntKey"""
9414  return _IMP_atom.Atom_get_atom_type_key()
9415 
9416 def Atom_get_element_key():
9417  """Atom_get_element_key() -> IntKey"""
9418  return _IMP_atom.Atom_get_element_key()
9419 
9420 def Atom_get_input_index_key():
9421  """Atom_get_input_index_key() -> IntKey"""
9422  return _IMP_atom.Atom_get_input_index_key()
9423 
9424 def Atom_get_occupancy_key():
9425  """Atom_get_occupancy_key() -> FloatKey"""
9426  return _IMP_atom.Atom_get_occupancy_key()
9427 
9428 def Atom_get_temperature_factor_key():
9429  """Atom_get_temperature_factor_key() -> FloatKey"""
9430  return _IMP_atom.Atom_get_temperature_factor_key()
9431 
9432 
9433 def get_residue(*args):
9434  """
9435  get_residue(Hierarchy mhd, unsigned int index) -> Hierarchy
9436  get_residue(Atom d, bool nothrow=False) -> Residue
9437  get_residue(Atom d) -> Residue
9438  """
9439  return _IMP_atom.get_residue(*args)
9440 
9441 def get_atom(rd, at):
9442  """get_atom(Residue rd, AtomType at) -> Atom"""
9443  return _IMP_atom.get_atom(rd, at)
9444 
9445 def add_atom_type(name, e):
9446  """add_atom_type(std::string name, IMP::atom::Element e) -> AtomType"""
9447  return _IMP_atom.add_atom_type(name, e)
9448 
9449 def get_element_for_atom_type(at):
9450  """get_element_for_atom_type(AtomType at) -> IMP::atom::Element"""
9451  return _IMP_atom.get_element_for_atom_type(at)
9452 
9453 def get_atom_type_exists(name):
9454  """get_atom_type_exists(std::string name) -> bool"""
9455  return _IMP_atom.get_atom_type_exists(name)
9456 class Residue(Hierarchy):
9457  """Proxy of C++ IMP::atom::Residue class"""
9458  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9459 
9460  def __init__(self, *args):
9461  """
9462  __init__(IMP::atom::Residue self) -> Residue
9463  __init__(IMP::atom::Residue self, Model m, ParticleIndex id) -> Residue
9464  __init__(IMP::atom::Residue self, _ParticleAdaptor d) -> Residue
9465  """
9466  this = _IMP_atom.new_Residue(*args)
9467  try:
9468  self.this.append(this)
9469  except:
9470  self.this = this
9471 
9472  def show(self, *args):
9473  """
9474  show(Residue self, _ostream out)
9475  show(Residue self)
9476  """
9477  return _IMP_atom.Residue_show(self, *args)
9478 
9479 
9480  def setup_particle(*args):
9481  """
9482  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
9483  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
9484  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
9485  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
9486  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
9487  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
9488  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
9489  setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
9490  """
9491  return _IMP_atom.Residue_setup_particle(*args)
9492 
9493  setup_particle = staticmethod(setup_particle)
9494 
9495  def get_is_setup(*args):
9496  """
9497  get_is_setup(_ParticleAdaptor p) -> bool
9498  get_is_setup(Model m, ParticleIndex pi) -> bool
9499  """
9500  return _IMP_atom.Residue_get_is_setup(*args)
9501 
9502  get_is_setup = staticmethod(get_is_setup)
9503 
9504  def get_residue_type(self):
9505  """get_residue_type(Residue self) -> ResidueType"""
9506  return _IMP_atom.Residue_get_residue_type(self)
9507 
9508 
9509  def set_residue_type(self, t):
9510  """set_residue_type(Residue self, ResidueType t)"""
9511  return _IMP_atom.Residue_set_residue_type(self, t)
9512 
9513 
9514  def get_is_protein(self):
9515  """get_is_protein(Residue self) -> bool"""
9516  return _IMP_atom.Residue_get_is_protein(self)
9517 
9518 
9519  def get_is_dna(self):
9520  """get_is_dna(Residue self) -> bool"""
9521  return _IMP_atom.Residue_get_is_dna(self)
9522 
9523 
9524  def get_is_rna(self):
9525  """get_is_rna(Residue self) -> bool"""
9526  return _IMP_atom.Residue_get_is_rna(self)
9527 
9528 
9529  def get_index(self):
9530  """get_index(Residue self) -> IMP::Int"""
9531  return _IMP_atom.Residue_get_index(self)
9532 
9533 
9534  def set_index(self, t):
9535  """set_index(Residue self, IMP::Int t)"""
9536  return _IMP_atom.Residue_set_index(self, t)
9537 
9538 
9539  def get_insertion_code(self):
9540  """get_insertion_code(Residue self) -> char"""
9541  return _IMP_atom.Residue_get_insertion_code(self)
9542 
9543 
9544  def set_insertion_code(self, insertion_code):
9545  """set_insertion_code(Residue self, char insertion_code)"""
9546  return _IMP_atom.Residue_set_insertion_code(self, insertion_code)
9547 
9548 
9549  def get_index_key():
9550  """get_index_key() -> IntKey"""
9551  return _IMP_atom.Residue_get_index_key()
9552 
9553  get_index_key = staticmethod(get_index_key)
9554 
9555  def get_residue_type_key():
9556  """get_residue_type_key() -> IntKey"""
9557  return _IMP_atom.Residue_get_residue_type_key()
9558 
9559  get_residue_type_key = staticmethod(get_residue_type_key)
9560 
9561  def get_insertion_code_key():
9562  """get_insertion_code_key() -> IntKey"""
9563  return _IMP_atom.Residue_get_insertion_code_key()
9564 
9565  get_insertion_code_key = staticmethod(get_insertion_code_key)
9566 
9567  def get_type_changed_key():
9568  """get_type_changed_key() -> TriggerKey"""
9569  return _IMP_atom.Residue_get_type_changed_key()
9570 
9571  get_type_changed_key = staticmethod(get_type_changed_key)
9572 
9573  def add_attribute(self, *args):
9574  """
9575  add_attribute(Residue self, FloatKey k, IMP::Float v, bool opt)
9576  add_attribute(Residue self, FloatKey a0, IMP::Float a1)
9577  add_attribute(Residue self, IntKey a0, IMP::Int a1)
9578  add_attribute(Residue self, FloatsKey a0, IMP::Floats a1)
9579  add_attribute(Residue self, IntsKey a0, IMP::Ints a1)
9580  add_attribute(Residue self, StringKey a0, IMP::String a1)
9581  add_attribute(Residue self, ParticleIndexKey a0, Particle a1)
9582  add_attribute(Residue self, ObjectKey a0, Object a1)
9583  """
9584  return _IMP_atom.Residue_add_attribute(self, *args)
9585 
9586 
9587  def get_value(self, *args):
9588  """
9589  get_value(Residue self, FloatKey a0) -> IMP::Float
9590  get_value(Residue self, IntKey a0) -> IMP::Int
9591  get_value(Residue self, FloatsKey a0) -> IMP::Floats
9592  get_value(Residue self, IntsKey a0) -> IMP::Ints
9593  get_value(Residue self, StringKey a0) -> IMP::String
9594  get_value(Residue self, ParticleIndexKey a0) -> Particle
9595  get_value(Residue self, ObjectKey a0) -> Object
9596  """
9597  return _IMP_atom.Residue_get_value(self, *args)
9598 
9599 
9600  def set_value(self, *args):
9601  """
9602  set_value(Residue self, FloatKey a0, IMP::Float a1)
9603  set_value(Residue self, IntKey a0, IMP::Int a1)
9604  set_value(Residue self, FloatsKey a0, IMP::Floats a1)
9605  set_value(Residue self, IntsKey a0, IMP::Ints a1)
9606  set_value(Residue self, StringKey a0, IMP::String a1)
9607  set_value(Residue self, ParticleIndexKey a0, Particle a1)
9608  set_value(Residue self, ObjectKey a0, Object a1)
9609  """
9610  return _IMP_atom.Residue_set_value(self, *args)
9611 
9612 
9613  def remove_attribute(self, *args):
9614  """
9615  remove_attribute(Residue self, FloatKey a0)
9616  remove_attribute(Residue self, IntKey a0)
9617  remove_attribute(Residue self, FloatsKey a0)
9618  remove_attribute(Residue self, IntsKey a0)
9619  remove_attribute(Residue self, StringKey a0)
9620  remove_attribute(Residue self, ParticleIndexKey a0)
9621  remove_attribute(Residue self, ObjectKey a0)
9622  """
9623  return _IMP_atom.Residue_remove_attribute(self, *args)
9624 
9625 
9626  def has_attribute(self, *args):
9627  """
9628  has_attribute(Residue self, FloatKey a0) -> bool
9629  has_attribute(Residue self, IntKey a0) -> bool
9630  has_attribute(Residue self, FloatsKey a0) -> bool
9631  has_attribute(Residue self, IntsKey a0) -> bool
9632  has_attribute(Residue self, StringKey a0) -> bool
9633  has_attribute(Residue self, ParticleIndexKey a0) -> bool
9634  has_attribute(Residue self, ObjectKey a0) -> bool
9635  """
9636  return _IMP_atom.Residue_has_attribute(self, *args)
9637 
9638 
9639  def get_derivative(self, a0):
9640  """get_derivative(Residue self, FloatKey a0) -> double"""
9641  return _IMP_atom.Residue_get_derivative(self, a0)
9642 
9643 
9644  def get_name(self):
9645  """get_name(Residue self) -> std::string"""
9646  return _IMP_atom.Residue_get_name(self)
9647 
9648 
9649  def clear_caches(self):
9650  """clear_caches(Residue self)"""
9651  return _IMP_atom.Residue_clear_caches(self)
9652 
9653 
9654  def set_name(self, a0):
9655  """set_name(Residue self, std::string a0)"""
9656  return _IMP_atom.Residue_set_name(self, a0)
9657 
9658 
9659  def set_check_level(self, a0):
9660  """set_check_level(Residue self, IMP::CheckLevel a0)"""
9661  return _IMP_atom.Residue_set_check_level(self, a0)
9662 
9663 
9664  def add_to_derivative(self, a0, a1, a2):
9665  """add_to_derivative(Residue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9666  return _IMP_atom.Residue_add_to_derivative(self, a0, a1, a2)
9667 
9668 
9669  def set_is_optimized(self, a0, a1):
9670  """set_is_optimized(Residue self, FloatKey a0, bool a1)"""
9671  return _IMP_atom.Residue_set_is_optimized(self, a0, a1)
9672 
9673 
9674  def get_is_optimized(self, a0):
9675  """get_is_optimized(Residue self, FloatKey a0) -> bool"""
9676  return _IMP_atom.Residue_get_is_optimized(self, a0)
9677 
9678 
9679  def get_check_level(self):
9680  """get_check_level(Residue self) -> IMP::CheckLevel"""
9681  return _IMP_atom.Residue_get_check_level(self)
9682 
9683 
9684  def __eq__(self, *args):
9685  """
9686  __eq__(Residue self, Residue o) -> bool
9687  __eq__(Residue self, Particle d) -> bool
9688  """
9689  return _IMP_atom.Residue___eq__(self, *args)
9690 
9691 
9692  def __ne__(self, *args):
9693  """
9694  __ne__(Residue self, Residue o) -> bool
9695  __ne__(Residue self, Particle d) -> bool
9696  """
9697  return _IMP_atom.Residue___ne__(self, *args)
9698 
9699 
9700  def __le__(self, *args):
9701  """
9702  __le__(Residue self, Residue o) -> bool
9703  __le__(Residue self, Particle d) -> bool
9704  """
9705  return _IMP_atom.Residue___le__(self, *args)
9706 
9707 
9708  def __lt__(self, *args):
9709  """
9710  __lt__(Residue self, Residue o) -> bool
9711  __lt__(Residue self, Particle d) -> bool
9712  """
9713  return _IMP_atom.Residue___lt__(self, *args)
9714 
9715 
9716  def __ge__(self, *args):
9717  """
9718  __ge__(Residue self, Residue o) -> bool
9719  __ge__(Residue self, Particle d) -> bool
9720  """
9721  return _IMP_atom.Residue___ge__(self, *args)
9722 
9723 
9724  def __gt__(self, *args):
9725  """
9726  __gt__(Residue self, Residue o) -> bool
9727  __gt__(Residue self, Particle d) -> bool
9728  """
9729  return _IMP_atom.Residue___gt__(self, *args)
9730 
9731 
9732  def __hash__(self):
9733  """__hash__(Residue self) -> std::size_t"""
9734  return _IMP_atom.Residue___hash__(self)
9735 
9736 
9737  def __str__(self):
9738  """__str__(Residue self) -> std::string"""
9739  return _IMP_atom.Residue___str__(self)
9740 
9741 
9742  def __repr__(self):
9743  """__repr__(Residue self) -> std::string"""
9744  return _IMP_atom.Residue___repr__(self)
9745 
9746  __swig_destroy__ = _IMP_atom.delete_Residue
9747  __del__ = lambda self: None
9748 Residue_swigregister = _IMP_atom.Residue_swigregister
9749 Residue_swigregister(Residue)
9750 UNK = cvar.UNK
9751 GLY = cvar.GLY
9752 ALA = cvar.ALA
9753 VAL = cvar.VAL
9754 LEU = cvar.LEU
9755 ILE = cvar.ILE
9756 SER = cvar.SER
9757 THR = cvar.THR
9758 CYS = cvar.CYS
9759 MET = cvar.MET
9760 PRO = cvar.PRO
9761 ASP = cvar.ASP
9762 ASN = cvar.ASN
9763 GLU = cvar.GLU
9764 GLN = cvar.GLN
9765 LYS = cvar.LYS
9766 ARG = cvar.ARG
9767 HIS = cvar.HIS
9768 PHE = cvar.PHE
9769 TYR = cvar.TYR
9770 TRP = cvar.TRP
9771 ACE = cvar.ACE
9772 NH2 = cvar.NH2
9773 MSE = cvar.MSE
9774 ADE = cvar.ADE
9775 URA = cvar.URA
9776 CYT = cvar.CYT
9777 GUA = cvar.GUA
9778 THY = cvar.THY
9779 DADE = cvar.DADE
9780 DURA = cvar.DURA
9781 DCYT = cvar.DCYT
9782 DGUA = cvar.DGUA
9783 DTHY = cvar.DTHY
9784 HOH = cvar.HOH
9785 HEME = cvar.HEME
9786 POP = cvar.POP
9787 
9788 def Residue_setup_particle(*args):
9789  """
9790  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
9791  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
9792  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
9793  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
9794  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
9795  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
9796  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
9797  Residue_setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
9798  """
9799  return _IMP_atom.Residue_setup_particle(*args)
9800 
9801 def Residue_get_is_setup(*args):
9802  """
9803  get_is_setup(_ParticleAdaptor p) -> bool
9804  Residue_get_is_setup(Model m, ParticleIndex pi) -> bool
9805  """
9806  return _IMP_atom.Residue_get_is_setup(*args)
9807 
9808 def Residue_get_index_key():
9809  """Residue_get_index_key() -> IntKey"""
9810  return _IMP_atom.Residue_get_index_key()
9811 
9812 def Residue_get_residue_type_key():
9813  """Residue_get_residue_type_key() -> IntKey"""
9814  return _IMP_atom.Residue_get_residue_type_key()
9815 
9816 def Residue_get_insertion_code_key():
9817  """Residue_get_insertion_code_key() -> IntKey"""
9818  return _IMP_atom.Residue_get_insertion_code_key()
9819 
9820 def Residue_get_type_changed_key():
9821  """Residue_get_type_changed_key() -> TriggerKey"""
9822  return _IMP_atom.Residue_get_type_changed_key()
9823 
9824 
9825 def get_next_residue(rd):
9826  """get_next_residue(Residue rd) -> Hierarchy"""
9827  return _IMP_atom.get_next_residue(rd)
9828 
9829 def get_previous_residue(rd):
9830  """get_previous_residue(Residue rd) -> Hierarchy"""
9831  return _IMP_atom.get_previous_residue(rd)
9832 
9833 def get_one_letter_code(c):
9834  """get_one_letter_code(ResidueType c) -> char"""
9835  return _IMP_atom.get_one_letter_code(c)
9836 
9837 _IMP_atom.BALLS_swigconstant(_IMP_atom)
9838 BALLS = _IMP_atom.BALLS
9839 
9840 _IMP_atom.DENSITIES_swigconstant(_IMP_atom)
9841 DENSITIES = _IMP_atom.DENSITIES
9842 class Representation(Hierarchy):
9843  """Proxy of C++ IMP::atom::Representation class"""
9844  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9845 
9846  def setup_particle(*args):
9847  """
9848  setup_particle(Model m, ParticleIndex pi) -> Representation
9849  setup_particle(_ParticleAdaptor decorator) -> Representation
9850  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
9851  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
9852  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
9853  setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
9854  """
9855  return _IMP_atom.Representation_setup_particle(*args)
9856 
9857  setup_particle = staticmethod(setup_particle)
9858 
9859  def __init__(self, *args):
9860  """
9861  __init__(IMP::atom::Representation self) -> Representation
9862  __init__(IMP::atom::Representation self, Model m, ParticleIndex id) -> Representation
9863  __init__(IMP::atom::Representation self, _ParticleAdaptor d) -> Representation
9864  """
9865  this = _IMP_atom.new_Representation(*args)
9866  try:
9867  self.this.append(this)
9868  except:
9869  self.this = this
9870 
9871  def show(self, *args):
9872  """
9873  show(Representation self, _ostream out)
9874  show(Representation self)
9875  """
9876  return _IMP_atom.Representation_show(self, *args)
9877 
9878 
9879  def get_is_setup(*args):
9880  """
9881  get_is_setup(_ParticleAdaptor p) -> bool
9882  get_is_setup(Model m, ParticleIndex pi) -> bool
9883  """
9884  return _IMP_atom.Representation_get_is_setup(*args)
9885 
9886  get_is_setup = staticmethod(get_is_setup)
9887 
9888  def get_representation(self, *args):
9889  """
9890  get_representation(Representation self, double resolution, IMP::atom::RepresentationType type) -> Hierarchy
9891  get_representation(Representation self, double resolution) -> Hierarchy
9892  """
9893  return _IMP_atom.Representation_get_representation(self, *args)
9894 
9895 
9896  def get_representations(self, *args):
9897  """
9898  get_representations(Representation self, IMP::atom::RepresentationType type) -> IMP::atom::Hierarchies
9899  get_representations(Representation self) -> IMP::atom::Hierarchies
9900  """
9901  return _IMP_atom.Representation_get_representations(self, *args)
9902 
9903 
9904  def add_representation(self, *args):
9905  """
9906  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type, double resolution=-1)
9907  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type)
9908  add_representation(Representation self, _ParticleIndexAdaptor rep)
9909  """
9910  return _IMP_atom.Representation_add_representation(self, *args)
9911 
9912 
9913  def get_resolutions(self, *args):
9914  """
9915  get_resolutions(Representation self, IMP::atom::RepresentationType type) -> IMP::Floats
9916  get_resolutions(Representation self) -> IMP::Floats
9917  """
9918  return _IMP_atom.Representation_get_resolutions(self, *args)
9919 
9920 
9921  def remove_representation(self, rep):
9922  """remove_representation(Representation self, _ParticleIndexAdaptor rep)"""
9923  return _IMP_atom.Representation_remove_representation(self, rep)
9924 
9925 
9926  def update_parents(self):
9927  """update_parents(Representation self)"""
9928  return _IMP_atom.Representation_update_parents(self)
9929 
9930 
9931  def add_attribute(self, *args):
9932  """
9933  add_attribute(Representation self, FloatKey k, IMP::Float v, bool opt)
9934  add_attribute(Representation self, FloatKey a0, IMP::Float a1)
9935  add_attribute(Representation self, IntKey a0, IMP::Int a1)
9936  add_attribute(Representation self, FloatsKey a0, IMP::Floats a1)
9937  add_attribute(Representation self, IntsKey a0, IMP::Ints a1)
9938  add_attribute(Representation self, StringKey a0, IMP::String a1)
9939  add_attribute(Representation self, ParticleIndexKey a0, Particle a1)
9940  add_attribute(Representation self, ObjectKey a0, Object a1)
9941  """
9942  return _IMP_atom.Representation_add_attribute(self, *args)
9943 
9944 
9945  def get_value(self, *args):
9946  """
9947  get_value(Representation self, FloatKey a0) -> IMP::Float
9948  get_value(Representation self, IntKey a0) -> IMP::Int
9949  get_value(Representation self, FloatsKey a0) -> IMP::Floats
9950  get_value(Representation self, IntsKey a0) -> IMP::Ints
9951  get_value(Representation self, StringKey a0) -> IMP::String
9952  get_value(Representation self, ParticleIndexKey a0) -> Particle
9953  get_value(Representation self, ObjectKey a0) -> Object
9954  """
9955  return _IMP_atom.Representation_get_value(self, *args)
9956 
9957 
9958  def set_value(self, *args):
9959  """
9960  set_value(Representation self, FloatKey a0, IMP::Float a1)
9961  set_value(Representation self, IntKey a0, IMP::Int a1)
9962  set_value(Representation self, FloatsKey a0, IMP::Floats a1)
9963  set_value(Representation self, IntsKey a0, IMP::Ints a1)
9964  set_value(Representation self, StringKey a0, IMP::String a1)
9965  set_value(Representation self, ParticleIndexKey a0, Particle a1)
9966  set_value(Representation self, ObjectKey a0, Object a1)
9967  """
9968  return _IMP_atom.Representation_set_value(self, *args)
9969 
9970 
9971  def remove_attribute(self, *args):
9972  """
9973  remove_attribute(Representation self, FloatKey a0)
9974  remove_attribute(Representation self, IntKey a0)
9975  remove_attribute(Representation self, FloatsKey a0)
9976  remove_attribute(Representation self, IntsKey a0)
9977  remove_attribute(Representation self, StringKey a0)
9978  remove_attribute(Representation self, ParticleIndexKey a0)
9979  remove_attribute(Representation self, ObjectKey a0)
9980  """
9981  return _IMP_atom.Representation_remove_attribute(self, *args)
9982 
9983 
9984  def has_attribute(self, *args):
9985  """
9986  has_attribute(Representation self, FloatKey a0) -> bool
9987  has_attribute(Representation self, IntKey a0) -> bool
9988  has_attribute(Representation self, FloatsKey a0) -> bool
9989  has_attribute(Representation self, IntsKey a0) -> bool
9990  has_attribute(Representation self, StringKey a0) -> bool
9991  has_attribute(Representation self, ParticleIndexKey a0) -> bool
9992  has_attribute(Representation self, ObjectKey a0) -> bool
9993  """
9994  return _IMP_atom.Representation_has_attribute(self, *args)
9995 
9996 
9997  def get_derivative(self, a0):
9998  """get_derivative(Representation self, FloatKey a0) -> double"""
9999  return _IMP_atom.Representation_get_derivative(self, a0)
10000 
10001 
10002  def get_name(self):
10003  """get_name(Representation self) -> std::string"""
10004  return _IMP_atom.Representation_get_name(self)
10005 
10006 
10007  def clear_caches(self):
10008  """clear_caches(Representation self)"""
10009  return _IMP_atom.Representation_clear_caches(self)
10010 
10011 
10012  def set_name(self, a0):
10013  """set_name(Representation self, std::string a0)"""
10014  return _IMP_atom.Representation_set_name(self, a0)
10015 
10016 
10017  def set_check_level(self, a0):
10018  """set_check_level(Representation self, IMP::CheckLevel a0)"""
10019  return _IMP_atom.Representation_set_check_level(self, a0)
10020 
10021 
10022  def add_to_derivative(self, a0, a1, a2):
10023  """add_to_derivative(Representation self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10024  return _IMP_atom.Representation_add_to_derivative(self, a0, a1, a2)
10025 
10026 
10027  def set_is_optimized(self, a0, a1):
10028  """set_is_optimized(Representation self, FloatKey a0, bool a1)"""
10029  return _IMP_atom.Representation_set_is_optimized(self, a0, a1)
10030 
10031 
10032  def get_is_optimized(self, a0):
10033  """get_is_optimized(Representation self, FloatKey a0) -> bool"""
10034  return _IMP_atom.Representation_get_is_optimized(self, a0)
10035 
10036 
10037  def get_check_level(self):
10038  """get_check_level(Representation self) -> IMP::CheckLevel"""
10039  return _IMP_atom.Representation_get_check_level(self)
10040 
10041 
10042  def __eq__(self, *args):
10043  """
10044  __eq__(Representation self, Representation o) -> bool
10045  __eq__(Representation self, Particle d) -> bool
10046  """
10047  return _IMP_atom.Representation___eq__(self, *args)
10048 
10049 
10050  def __ne__(self, *args):
10051  """
10052  __ne__(Representation self, Representation o) -> bool
10053  __ne__(Representation self, Particle d) -> bool
10054  """
10055  return _IMP_atom.Representation___ne__(self, *args)
10056 
10057 
10058  def __le__(self, *args):
10059  """
10060  __le__(Representation self, Representation o) -> bool
10061  __le__(Representation self, Particle d) -> bool
10062  """
10063  return _IMP_atom.Representation___le__(self, *args)
10064 
10065 
10066  def __lt__(self, *args):
10067  """
10068  __lt__(Representation self, Representation o) -> bool
10069  __lt__(Representation self, Particle d) -> bool
10070  """
10071  return _IMP_atom.Representation___lt__(self, *args)
10072 
10073 
10074  def __ge__(self, *args):
10075  """
10076  __ge__(Representation self, Representation o) -> bool
10077  __ge__(Representation self, Particle d) -> bool
10078  """
10079  return _IMP_atom.Representation___ge__(self, *args)
10080 
10081 
10082  def __gt__(self, *args):
10083  """
10084  __gt__(Representation self, Representation o) -> bool
10085  __gt__(Representation self, Particle d) -> bool
10086  """
10087  return _IMP_atom.Representation___gt__(self, *args)
10088 
10089 
10090  def __hash__(self):
10091  """__hash__(Representation self) -> std::size_t"""
10092  return _IMP_atom.Representation___hash__(self)
10093 
10094 
10095  def __str__(self):
10096  """__str__(Representation self) -> std::string"""
10097  return _IMP_atom.Representation___str__(self)
10098 
10099 
10100  def __repr__(self):
10101  """__repr__(Representation self) -> std::string"""
10102  return _IMP_atom.Representation___repr__(self)
10103 
10104  __swig_destroy__ = _IMP_atom.delete_Representation
10105  __del__ = lambda self: None
10106 Representation_swigregister = _IMP_atom.Representation_swigregister
10107 Representation_swigregister(Representation)
10108 ALL_RESOLUTIONS = cvar.ALL_RESOLUTIONS
10109 
10110 def Representation_setup_particle(*args):
10111  """
10112  setup_particle(Model m, ParticleIndex pi) -> Representation
10113  setup_particle(_ParticleAdaptor decorator) -> Representation
10114  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
10115  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
10116  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
10117  Representation_setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
10118  """
10119  return _IMP_atom.Representation_setup_particle(*args)
10120 
10121 def Representation_get_is_setup(*args):
10122  """
10123  get_is_setup(_ParticleAdaptor p) -> bool
10124  Representation_get_is_setup(Model m, ParticleIndex pi) -> bool
10125  """
10126  return _IMP_atom.Representation_get_is_setup(*args)
10127 
10128 
10129 def get_resolution(*args):
10130  """
10131  get_resolution(Model m, ParticleIndex pi) -> double
10132  get_resolution(Hierarchy h) -> double
10133  """
10134  return _IMP_atom.get_resolution(*args)
10135 
10136 def get_representation(h, nothrow=False):
10137  """
10138  get_representation(Hierarchy h, bool nothrow=False) -> Representation
10139  get_representation(Hierarchy h) -> Representation
10140  """
10141  return _IMP_atom.get_representation(h, nothrow)
10142 
10143 def show_with_representations(*args):
10144  """
10145  show_with_representations(Hierarchy h, _ostream out)
10146  show_with_representations(Hierarchy h)
10147  """
10148  return _IMP_atom.show_with_representations(*args)
10149 class State(Hierarchy):
10150  """Proxy of C++ IMP::atom::State class"""
10151  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10152 
10153  def setup_particle(*args):
10154  """
10155  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
10156  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
10157  setup_particle(Model m, ParticleIndex pi, State other) -> State
10158  setup_particle(_ParticleAdaptor decorator, State other) -> State
10159  """
10160  return _IMP_atom.State_setup_particle(*args)
10161 
10162  setup_particle = staticmethod(setup_particle)
10163 
10164  def __init__(self, *args):
10165  """
10166  __init__(IMP::atom::State self) -> State
10167  __init__(IMP::atom::State self, Model m, ParticleIndex id) -> State
10168  __init__(IMP::atom::State self, _ParticleAdaptor d) -> State
10169  """
10170  this = _IMP_atom.new_State(*args)
10171  try:
10172  self.this.append(this)
10173  except:
10174  self.this = this
10175 
10176  def show(self, *args):
10177  """
10178  show(State self, _ostream out)
10179  show(State self)
10180  """
10181  return _IMP_atom.State_show(self, *args)
10182 
10183 
10184  def get_is_setup(*args):
10185  """
10186  get_is_setup(_ParticleAdaptor p) -> bool
10187  get_is_setup(Model m, ParticleIndex pi) -> bool
10188  """
10189  return _IMP_atom.State_get_is_setup(*args)
10190 
10191  get_is_setup = staticmethod(get_is_setup)
10192 
10193  def get_state_index(self):
10194  """get_state_index(State self) -> unsigned int"""
10195  return _IMP_atom.State_get_state_index(self)
10196 
10197 
10198  def add_attribute(self, *args):
10199  """
10200  add_attribute(State self, FloatKey k, IMP::Float v, bool opt)
10201  add_attribute(State self, FloatKey a0, IMP::Float a1)
10202  add_attribute(State self, IntKey a0, IMP::Int a1)
10203  add_attribute(State self, FloatsKey a0, IMP::Floats a1)
10204  add_attribute(State self, IntsKey a0, IMP::Ints a1)
10205  add_attribute(State self, StringKey a0, IMP::String a1)
10206  add_attribute(State self, ParticleIndexKey a0, Particle a1)
10207  add_attribute(State self, ObjectKey a0, Object a1)
10208  """
10209  return _IMP_atom.State_add_attribute(self, *args)
10210 
10211 
10212  def get_value(self, *args):
10213  """
10214  get_value(State self, FloatKey a0) -> IMP::Float
10215  get_value(State self, IntKey a0) -> IMP::Int
10216  get_value(State self, FloatsKey a0) -> IMP::Floats
10217  get_value(State self, IntsKey a0) -> IMP::Ints
10218  get_value(State self, StringKey a0) -> IMP::String
10219  get_value(State self, ParticleIndexKey a0) -> Particle
10220  get_value(State self, ObjectKey a0) -> Object
10221  """
10222  return _IMP_atom.State_get_value(self, *args)
10223 
10224 
10225  def set_value(self, *args):
10226  """
10227  set_value(State self, FloatKey a0, IMP::Float a1)
10228  set_value(State self, IntKey a0, IMP::Int a1)
10229  set_value(State self, FloatsKey a0, IMP::Floats a1)
10230  set_value(State self, IntsKey a0, IMP::Ints a1)
10231  set_value(State self, StringKey a0, IMP::String a1)
10232  set_value(State self, ParticleIndexKey a0, Particle a1)
10233  set_value(State self, ObjectKey a0, Object a1)
10234  """
10235  return _IMP_atom.State_set_value(self, *args)
10236 
10237 
10238  def remove_attribute(self, *args):
10239  """
10240  remove_attribute(State self, FloatKey a0)
10241  remove_attribute(State self, IntKey a0)
10242  remove_attribute(State self, FloatsKey a0)
10243  remove_attribute(State self, IntsKey a0)
10244  remove_attribute(State self, StringKey a0)
10245  remove_attribute(State self, ParticleIndexKey a0)
10246  remove_attribute(State self, ObjectKey a0)
10247  """
10248  return _IMP_atom.State_remove_attribute(self, *args)
10249 
10250 
10251  def has_attribute(self, *args):
10252  """
10253  has_attribute(State self, FloatKey a0) -> bool
10254  has_attribute(State self, IntKey a0) -> bool
10255  has_attribute(State self, FloatsKey a0) -> bool
10256  has_attribute(State self, IntsKey a0) -> bool
10257  has_attribute(State self, StringKey a0) -> bool
10258  has_attribute(State self, ParticleIndexKey a0) -> bool
10259  has_attribute(State self, ObjectKey a0) -> bool
10260  """
10261  return _IMP_atom.State_has_attribute(self, *args)
10262 
10263 
10264  def get_derivative(self, a0):
10265  """get_derivative(State self, FloatKey a0) -> double"""
10266  return _IMP_atom.State_get_derivative(self, a0)
10267 
10268 
10269  def get_name(self):
10270  """get_name(State self) -> std::string"""
10271  return _IMP_atom.State_get_name(self)
10272 
10273 
10274  def clear_caches(self):
10275  """clear_caches(State self)"""
10276  return _IMP_atom.State_clear_caches(self)
10277 
10278 
10279  def set_name(self, a0):
10280  """set_name(State self, std::string a0)"""
10281  return _IMP_atom.State_set_name(self, a0)
10282 
10283 
10284  def set_check_level(self, a0):
10285  """set_check_level(State self, IMP::CheckLevel a0)"""
10286  return _IMP_atom.State_set_check_level(self, a0)
10287 
10288 
10289  def add_to_derivative(self, a0, a1, a2):
10290  """add_to_derivative(State self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10291  return _IMP_atom.State_add_to_derivative(self, a0, a1, a2)
10292 
10293 
10294  def set_is_optimized(self, a0, a1):
10295  """set_is_optimized(State self, FloatKey a0, bool a1)"""
10296  return _IMP_atom.State_set_is_optimized(self, a0, a1)
10297 
10298 
10299  def get_is_optimized(self, a0):
10300  """get_is_optimized(State self, FloatKey a0) -> bool"""
10301  return _IMP_atom.State_get_is_optimized(self, a0)
10302 
10303 
10304  def get_check_level(self):
10305  """get_check_level(State self) -> IMP::CheckLevel"""
10306  return _IMP_atom.State_get_check_level(self)
10307 
10308 
10309  def __eq__(self, *args):
10310  """
10311  __eq__(State self, State o) -> bool
10312  __eq__(State self, Particle d) -> bool
10313  """
10314  return _IMP_atom.State___eq__(self, *args)
10315 
10316 
10317  def __ne__(self, *args):
10318  """
10319  __ne__(State self, State o) -> bool
10320  __ne__(State self, Particle d) -> bool
10321  """
10322  return _IMP_atom.State___ne__(self, *args)
10323 
10324 
10325  def __le__(self, *args):
10326  """
10327  __le__(State self, State o) -> bool
10328  __le__(State self, Particle d) -> bool
10329  """
10330  return _IMP_atom.State___le__(self, *args)
10331 
10332 
10333  def __lt__(self, *args):
10334  """
10335  __lt__(State self, State o) -> bool
10336  __lt__(State self, Particle d) -> bool
10337  """
10338  return _IMP_atom.State___lt__(self, *args)
10339 
10340 
10341  def __ge__(self, *args):
10342  """
10343  __ge__(State self, State o) -> bool
10344  __ge__(State self, Particle d) -> bool
10345  """
10346  return _IMP_atom.State___ge__(self, *args)
10347 
10348 
10349  def __gt__(self, *args):
10350  """
10351  __gt__(State self, State o) -> bool
10352  __gt__(State self, Particle d) -> bool
10353  """
10354  return _IMP_atom.State___gt__(self, *args)
10355 
10356 
10357  def __hash__(self):
10358  """__hash__(State self) -> std::size_t"""
10359  return _IMP_atom.State___hash__(self)
10360 
10361 
10362  def __str__(self):
10363  """__str__(State self) -> std::string"""
10364  return _IMP_atom.State___str__(self)
10365 
10366 
10367  def __repr__(self):
10368  """__repr__(State self) -> std::string"""
10369  return _IMP_atom.State___repr__(self)
10370 
10371  __swig_destroy__ = _IMP_atom.delete_State
10372  __del__ = lambda self: None
10373 State_swigregister = _IMP_atom.State_swigregister
10374 State_swigregister(State)
10375 
10376 def State_setup_particle(*args):
10377  """
10378  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
10379  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
10380  setup_particle(Model m, ParticleIndex pi, State other) -> State
10381  State_setup_particle(_ParticleAdaptor decorator, State other) -> State
10382  """
10383  return _IMP_atom.State_setup_particle(*args)
10384 
10385 def State_get_is_setup(*args):
10386  """
10387  get_is_setup(_ParticleAdaptor p) -> bool
10388  State_get_is_setup(Model m, ParticleIndex pi) -> bool
10389  """
10390  return _IMP_atom.State_get_is_setup(*args)
10391 
10392 
10393 def get_state_index(h):
10394  """get_state_index(Hierarchy h) -> int"""
10395  return _IMP_atom.get_state_index(h)
10396 
10397 def get_phi_dihedral_atoms(rd):
10398  """get_phi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10399  return _IMP_atom.get_phi_dihedral_atoms(rd)
10400 
10401 def get_psi_dihedral_atoms(rd):
10402  """get_psi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10403  return _IMP_atom.get_psi_dihedral_atoms(rd)
10404 
10405 def get_omega_dihedral_atoms(rd):
10406  """get_omega_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10407  return _IMP_atom.get_omega_dihedral_atoms(rd)
10408 
10410  """get_chi_dihedral_atom_types(ResidueType rt) -> IMP::Vector< IMP::atom::AtomTypes >"""
10411  return _IMP_atom.get_chi_dihedral_atom_types(rt)
10412 
10413 def get_chi_dihedral_atoms(rd):
10414  """get_chi_dihedral_atoms(Residue rd) -> IMP::Vector< IMP::atom::Atoms >"""
10415  return _IMP_atom.get_chi_dihedral_atoms(rd)
10416 
10418  """get_chi_dihedral_particle_indexes(Residue rd) -> IMP::ParticleIndexQuads"""
10419  return _IMP_atom.get_chi_dihedral_particle_indexes(rd)
10420 class Molecule(Hierarchy):
10421  """Proxy of C++ IMP::atom::Molecule class"""
10422  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10423 
10424  def __init__(self, *args):
10425  """
10426  __init__(IMP::atom::Molecule self) -> Molecule
10427  __init__(IMP::atom::Molecule self, Model m, ParticleIndex id) -> Molecule
10428  __init__(IMP::atom::Molecule self, _ParticleAdaptor d) -> Molecule
10429  """
10430  this = _IMP_atom.new_Molecule(*args)
10431  try:
10432  self.this.append(this)
10433  except:
10434  self.this = this
10435 
10436  def show(self, *args):
10437  """
10438  show(Molecule self, _ostream out)
10439  show(Molecule self)
10440  """
10441  return _IMP_atom.Molecule_show(self, *args)
10442 
10443 
10444  def setup_particle(*args):
10445  """
10446  setup_particle(Model m, ParticleIndex pi) -> Molecule
10447  setup_particle(_ParticleAdaptor decorator) -> Molecule
10448  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
10449  setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
10450  """
10451  return _IMP_atom.Molecule_setup_particle(*args)
10452 
10453  setup_particle = staticmethod(setup_particle)
10454 
10455  def get_is_setup(*args):
10456  """
10457  get_is_setup(_ParticleAdaptor p) -> bool
10458  get_is_setup(Model m, ParticleIndex pi) -> bool
10459  """
10460  return _IMP_atom.Molecule_get_is_setup(*args)
10461 
10462  get_is_setup = staticmethod(get_is_setup)
10463 
10464  def add_attribute(self, *args):
10465  """
10466  add_attribute(Molecule self, FloatKey k, IMP::Float v, bool opt)
10467  add_attribute(Molecule self, FloatKey a0, IMP::Float a1)
10468  add_attribute(Molecule self, IntKey a0, IMP::Int a1)
10469  add_attribute(Molecule self, FloatsKey a0, IMP::Floats a1)
10470  add_attribute(Molecule self, IntsKey a0, IMP::Ints a1)
10471  add_attribute(Molecule self, StringKey a0, IMP::String a1)
10472  add_attribute(Molecule self, ParticleIndexKey a0, Particle a1)
10473  add_attribute(Molecule self, ObjectKey a0, Object a1)
10474  """
10475  return _IMP_atom.Molecule_add_attribute(self, *args)
10476 
10477 
10478  def get_value(self, *args):
10479  """
10480  get_value(Molecule self, FloatKey a0) -> IMP::Float
10481  get_value(Molecule self, IntKey a0) -> IMP::Int
10482  get_value(Molecule self, FloatsKey a0) -> IMP::Floats
10483  get_value(Molecule self, IntsKey a0) -> IMP::Ints
10484  get_value(Molecule self, StringKey a0) -> IMP::String
10485  get_value(Molecule self, ParticleIndexKey a0) -> Particle
10486  get_value(Molecule self, ObjectKey a0) -> Object
10487  """
10488  return _IMP_atom.Molecule_get_value(self, *args)
10489 
10490 
10491  def set_value(self, *args):
10492  """
10493  set_value(Molecule self, FloatKey a0, IMP::Float a1)
10494  set_value(Molecule self, IntKey a0, IMP::Int a1)
10495  set_value(Molecule self, FloatsKey a0, IMP::Floats a1)
10496  set_value(Molecule self, IntsKey a0, IMP::Ints a1)
10497  set_value(Molecule self, StringKey a0, IMP::String a1)
10498  set_value(Molecule self, ParticleIndexKey a0, Particle a1)
10499  set_value(Molecule self, ObjectKey a0, Object a1)
10500  """
10501  return _IMP_atom.Molecule_set_value(self, *args)
10502 
10503 
10504  def remove_attribute(self, *args):
10505  """
10506  remove_attribute(Molecule self, FloatKey a0)
10507  remove_attribute(Molecule self, IntKey a0)
10508  remove_attribute(Molecule self, FloatsKey a0)
10509  remove_attribute(Molecule self, IntsKey a0)
10510  remove_attribute(Molecule self, StringKey a0)
10511  remove_attribute(Molecule self, ParticleIndexKey a0)
10512  remove_attribute(Molecule self, ObjectKey a0)
10513  """
10514  return _IMP_atom.Molecule_remove_attribute(self, *args)
10515 
10516 
10517  def has_attribute(self, *args):
10518  """
10519  has_attribute(Molecule self, FloatKey a0) -> bool
10520  has_attribute(Molecule self, IntKey a0) -> bool
10521  has_attribute(Molecule self, FloatsKey a0) -> bool
10522  has_attribute(Molecule self, IntsKey a0) -> bool
10523  has_attribute(Molecule self, StringKey a0) -> bool
10524  has_attribute(Molecule self, ParticleIndexKey a0) -> bool
10525  has_attribute(Molecule self, ObjectKey a0) -> bool
10526  """
10527  return _IMP_atom.Molecule_has_attribute(self, *args)
10528 
10529 
10530  def get_derivative(self, a0):
10531  """get_derivative(Molecule self, FloatKey a0) -> double"""
10532  return _IMP_atom.Molecule_get_derivative(self, a0)
10533 
10534 
10535  def get_name(self):
10536  """get_name(Molecule self) -> std::string"""
10537  return _IMP_atom.Molecule_get_name(self)
10538 
10539 
10540  def clear_caches(self):
10541  """clear_caches(Molecule self)"""
10542  return _IMP_atom.Molecule_clear_caches(self)
10543 
10544 
10545  def set_name(self, a0):
10546  """set_name(Molecule self, std::string a0)"""
10547  return _IMP_atom.Molecule_set_name(self, a0)
10548 
10549 
10550  def set_check_level(self, a0):
10551  """set_check_level(Molecule self, IMP::CheckLevel a0)"""
10552  return _IMP_atom.Molecule_set_check_level(self, a0)
10553 
10554 
10555  def add_to_derivative(self, a0, a1, a2):
10556  """add_to_derivative(Molecule self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10557  return _IMP_atom.Molecule_add_to_derivative(self, a0, a1, a2)
10558 
10559 
10560  def set_is_optimized(self, a0, a1):
10561  """set_is_optimized(Molecule self, FloatKey a0, bool a1)"""
10562  return _IMP_atom.Molecule_set_is_optimized(self, a0, a1)
10563 
10564 
10565  def get_is_optimized(self, a0):
10566  """get_is_optimized(Molecule self, FloatKey a0) -> bool"""
10567  return _IMP_atom.Molecule_get_is_optimized(self, a0)
10568 
10569 
10570  def get_check_level(self):
10571  """get_check_level(Molecule self) -> IMP::CheckLevel"""
10572  return _IMP_atom.Molecule_get_check_level(self)
10573 
10574 
10575  def __eq__(self, *args):
10576  """
10577  __eq__(Molecule self, Molecule o) -> bool
10578  __eq__(Molecule self, Particle d) -> bool
10579  """
10580  return _IMP_atom.Molecule___eq__(self, *args)
10581 
10582 
10583  def __ne__(self, *args):
10584  """
10585  __ne__(Molecule self, Molecule o) -> bool
10586  __ne__(Molecule self, Particle d) -> bool
10587  """
10588  return _IMP_atom.Molecule___ne__(self, *args)
10589 
10590 
10591  def __le__(self, *args):
10592  """
10593  __le__(Molecule self, Molecule o) -> bool
10594  __le__(Molecule self, Particle d) -> bool
10595  """
10596  return _IMP_atom.Molecule___le__(self, *args)
10597 
10598 
10599  def __lt__(self, *args):
10600  """
10601  __lt__(Molecule self, Molecule o) -> bool
10602  __lt__(Molecule self, Particle d) -> bool
10603  """
10604  return _IMP_atom.Molecule___lt__(self, *args)
10605 
10606 
10607  def __ge__(self, *args):
10608  """
10609  __ge__(Molecule self, Molecule o) -> bool
10610  __ge__(Molecule self, Particle d) -> bool
10611  """
10612  return _IMP_atom.Molecule___ge__(self, *args)
10613 
10614 
10615  def __gt__(self, *args):
10616  """
10617  __gt__(Molecule self, Molecule o) -> bool
10618  __gt__(Molecule self, Particle d) -> bool
10619  """
10620  return _IMP_atom.Molecule___gt__(self, *args)
10621 
10622 
10623  def __hash__(self):
10624  """__hash__(Molecule self) -> std::size_t"""
10625  return _IMP_atom.Molecule___hash__(self)
10626 
10627 
10628  def __str__(self):
10629  """__str__(Molecule self) -> std::string"""
10630  return _IMP_atom.Molecule___str__(self)
10631 
10632 
10633  def __repr__(self):
10634  """__repr__(Molecule self) -> std::string"""
10635  return _IMP_atom.Molecule___repr__(self)
10636 
10637  __swig_destroy__ = _IMP_atom.delete_Molecule
10638  __del__ = lambda self: None
10639 Molecule_swigregister = _IMP_atom.Molecule_swigregister
10640 Molecule_swigregister(Molecule)
10641 
10642 def Molecule_setup_particle(*args):
10643  """
10644  setup_particle(Model m, ParticleIndex pi) -> Molecule
10645  setup_particle(_ParticleAdaptor decorator) -> Molecule
10646  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
10647  Molecule_setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
10648  """
10649  return _IMP_atom.Molecule_setup_particle(*args)
10650 
10651 def Molecule_get_is_setup(*args):
10652  """
10653  get_is_setup(_ParticleAdaptor p) -> bool
10654  Molecule_get_is_setup(Model m, ParticleIndex pi) -> bool
10655  """
10656  return _IMP_atom.Molecule_get_is_setup(*args)
10657 
10658 
10659 def get_molecule_name(h):
10660  """get_molecule_name(Hierarchy h) -> std::string"""
10661  return _IMP_atom.get_molecule_name(h)
10662 class Copy(Molecule):
10663  """Proxy of C++ IMP::atom::Copy class"""
10664  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10665 
10666  def get_copy_index_key():
10667  """get_copy_index_key() -> IntKey"""
10668  return _IMP_atom.Copy_get_copy_index_key()
10669 
10670  get_copy_index_key = staticmethod(get_copy_index_key)
10671 
10672  def __init__(self, *args):
10673  """
10674  __init__(IMP::atom::Copy self) -> Copy
10675  __init__(IMP::atom::Copy self, Model m, ParticleIndex id) -> Copy
10676  __init__(IMP::atom::Copy self, _ParticleAdaptor d) -> Copy
10677  """
10678  this = _IMP_atom.new_Copy(*args)
10679  try:
10680  self.this.append(this)
10681  except:
10682  self.this = this
10683 
10684  def show(self, *args):
10685  """
10686  show(Copy self, _ostream out)
10687  show(Copy self)
10688  """
10689  return _IMP_atom.Copy_show(self, *args)
10690 
10691 
10692  def setup_particle(*args):
10693  """
10694  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
10695  setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
10696  """
10697  return _IMP_atom.Copy_setup_particle(*args)
10698 
10699  setup_particle = staticmethod(setup_particle)
10700 
10701  def get_is_setup(*args):
10702  """
10703  get_is_setup(_ParticleAdaptor p) -> bool
10704  get_is_setup(Model m, ParticleIndex pi) -> bool
10705  """
10706  return _IMP_atom.Copy_get_is_setup(*args)
10707 
10708  get_is_setup = staticmethod(get_is_setup)
10709 
10710  def get_copy_index(self):
10711  """get_copy_index(Copy self) -> int"""
10712  return _IMP_atom.Copy_get_copy_index(self)
10713 
10714 
10715  def add_attribute(self, *args):
10716  """
10717  add_attribute(Copy self, FloatKey k, IMP::Float v, bool opt)
10718  add_attribute(Copy self, FloatKey a0, IMP::Float a1)
10719  add_attribute(Copy self, IntKey a0, IMP::Int a1)
10720  add_attribute(Copy self, FloatsKey a0, IMP::Floats a1)
10721  add_attribute(Copy self, IntsKey a0, IMP::Ints a1)
10722  add_attribute(Copy self, StringKey a0, IMP::String a1)
10723  add_attribute(Copy self, ParticleIndexKey a0, Particle a1)
10724  add_attribute(Copy self, ObjectKey a0, Object a1)
10725  """
10726  return _IMP_atom.Copy_add_attribute(self, *args)
10727 
10728 
10729  def get_value(self, *args):
10730  """
10731  get_value(Copy self, FloatKey a0) -> IMP::Float
10732  get_value(Copy self, IntKey a0) -> IMP::Int
10733  get_value(Copy self, FloatsKey a0) -> IMP::Floats
10734  get_value(Copy self, IntsKey a0) -> IMP::Ints
10735  get_value(Copy self, StringKey a0) -> IMP::String
10736  get_value(Copy self, ParticleIndexKey a0) -> Particle
10737  get_value(Copy self, ObjectKey a0) -> Object
10738  """
10739  return _IMP_atom.Copy_get_value(self, *args)
10740 
10741 
10742  def set_value(self, *args):
10743  """
10744  set_value(Copy self, FloatKey a0, IMP::Float a1)
10745  set_value(Copy self, IntKey a0, IMP::Int a1)
10746  set_value(Copy self, FloatsKey a0, IMP::Floats a1)
10747  set_value(Copy self, IntsKey a0, IMP::Ints a1)
10748  set_value(Copy self, StringKey a0, IMP::String a1)
10749  set_value(Copy self, ParticleIndexKey a0, Particle a1)
10750  set_value(Copy self, ObjectKey a0, Object a1)
10751  """
10752  return _IMP_atom.Copy_set_value(self, *args)
10753 
10754 
10755  def remove_attribute(self, *args):
10756  """
10757  remove_attribute(Copy self, FloatKey a0)
10758  remove_attribute(Copy self, IntKey a0)
10759  remove_attribute(Copy self, FloatsKey a0)
10760  remove_attribute(Copy self, IntsKey a0)
10761  remove_attribute(Copy self, StringKey a0)
10762  remove_attribute(Copy self, ParticleIndexKey a0)
10763  remove_attribute(Copy self, ObjectKey a0)
10764  """
10765  return _IMP_atom.Copy_remove_attribute(self, *args)
10766 
10767 
10768  def has_attribute(self, *args):
10769  """
10770  has_attribute(Copy self, FloatKey a0) -> bool
10771  has_attribute(Copy self, IntKey a0) -> bool
10772  has_attribute(Copy self, FloatsKey a0) -> bool
10773  has_attribute(Copy self, IntsKey a0) -> bool
10774  has_attribute(Copy self, StringKey a0) -> bool
10775  has_attribute(Copy self, ParticleIndexKey a0) -> bool
10776  has_attribute(Copy self, ObjectKey a0) -> bool
10777  """
10778  return _IMP_atom.Copy_has_attribute(self, *args)
10779 
10780 
10781  def get_derivative(self, a0):
10782  """get_derivative(Copy self, FloatKey a0) -> double"""
10783  return _IMP_atom.Copy_get_derivative(self, a0)
10784 
10785 
10786  def get_name(self):
10787  """get_name(Copy self) -> std::string"""
10788  return _IMP_atom.Copy_get_name(self)
10789 
10790 
10791  def clear_caches(self):
10792  """clear_caches(Copy self)"""
10793  return _IMP_atom.Copy_clear_caches(self)
10794 
10795 
10796  def set_name(self, a0):
10797  """set_name(Copy self, std::string a0)"""
10798  return _IMP_atom.Copy_set_name(self, a0)
10799 
10800 
10801  def set_check_level(self, a0):
10802  """set_check_level(Copy self, IMP::CheckLevel a0)"""
10803  return _IMP_atom.Copy_set_check_level(self, a0)
10804 
10805 
10806  def add_to_derivative(self, a0, a1, a2):
10807  """add_to_derivative(Copy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10808  return _IMP_atom.Copy_add_to_derivative(self, a0, a1, a2)
10809 
10810 
10811  def set_is_optimized(self, a0, a1):
10812  """set_is_optimized(Copy self, FloatKey a0, bool a1)"""
10813  return _IMP_atom.Copy_set_is_optimized(self, a0, a1)
10814 
10815 
10816  def get_is_optimized(self, a0):
10817  """get_is_optimized(Copy self, FloatKey a0) -> bool"""
10818  return _IMP_atom.Copy_get_is_optimized(self, a0)
10819 
10820 
10821  def get_check_level(self):
10822  """get_check_level(Copy self) -> IMP::CheckLevel"""
10823  return _IMP_atom.Copy_get_check_level(self)
10824 
10825 
10826  def __eq__(self, *args):
10827  """
10828  __eq__(Copy self, Copy o) -> bool
10829  __eq__(Copy self, Particle d) -> bool
10830  """
10831  return _IMP_atom.Copy___eq__(self, *args)
10832 
10833 
10834  def __ne__(self, *args):
10835  """
10836  __ne__(Copy self, Copy o) -> bool
10837  __ne__(Copy self, Particle d) -> bool
10838  """
10839  return _IMP_atom.Copy___ne__(self, *args)
10840 
10841 
10842  def __le__(self, *args):
10843  """
10844  __le__(Copy self, Copy o) -> bool
10845  __le__(Copy self, Particle d) -> bool
10846  """
10847  return _IMP_atom.Copy___le__(self, *args)
10848 
10849 
10850  def __lt__(self, *args):
10851  """
10852  __lt__(Copy self, Copy o) -> bool
10853  __lt__(Copy self, Particle d) -> bool
10854  """
10855  return _IMP_atom.Copy___lt__(self, *args)
10856 
10857 
10858  def __ge__(self, *args):
10859  """
10860  __ge__(Copy self, Copy o) -> bool
10861  __ge__(Copy self, Particle d) -> bool
10862  """
10863  return _IMP_atom.Copy___ge__(self, *args)
10864 
10865 
10866  def __gt__(self, *args):
10867  """
10868  __gt__(Copy self, Copy o) -> bool
10869  __gt__(Copy self, Particle d) -> bool
10870  """
10871  return _IMP_atom.Copy___gt__(self, *args)
10872 
10873 
10874  def __hash__(self):
10875  """__hash__(Copy self) -> std::size_t"""
10876  return _IMP_atom.Copy___hash__(self)
10877 
10878 
10879  def __str__(self):
10880  """__str__(Copy self) -> std::string"""
10881  return _IMP_atom.Copy___str__(self)
10882 
10883 
10884  def __repr__(self):
10885  """__repr__(Copy self) -> std::string"""
10886  return _IMP_atom.Copy___repr__(self)
10887 
10888  __swig_destroy__ = _IMP_atom.delete_Copy
10889  __del__ = lambda self: None
10890 Copy_swigregister = _IMP_atom.Copy_swigregister
10891 Copy_swigregister(Copy)
10892 
10893 def Copy_get_copy_index_key():
10894  """Copy_get_copy_index_key() -> IntKey"""
10895  return _IMP_atom.Copy_get_copy_index_key()
10896 
10897 def Copy_setup_particle(*args):
10898  """
10899  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
10900  Copy_setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
10901  """
10902  return _IMP_atom.Copy_setup_particle(*args)
10903 
10904 def Copy_get_is_setup(*args):
10905  """
10906  get_is_setup(_ParticleAdaptor p) -> bool
10907  Copy_get_is_setup(Model m, ParticleIndex pi) -> bool
10908  """
10909  return _IMP_atom.Copy_get_is_setup(*args)
10910 
10911 
10912 def get_copy_index(h):
10913  """get_copy_index(Hierarchy h) -> int"""
10914  return _IMP_atom.get_copy_index(h)
10915 class Selection(IMP._ParticleIndexesAdaptor):
10916  """Proxy of C++ IMP::atom::Selection class"""
10917  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10918  NONE = _IMP_atom.Selection_NONE
10919  C = _IMP_atom.Selection_C
10920  N = _IMP_atom.Selection_N
10921 
10922  def __init__(self, *args):
10923  """
10924  __init__(IMP::atom::Selection self) -> Selection
10925  __init__(IMP::atom::Selection self, Hierarchy h) -> Selection
10926  __init__(IMP::atom::Selection self, Particle h) -> Selection
10927  __init__(IMP::atom::Selection self, Model m, IMP::ParticleIndexes const & pis) -> Selection
10928  __init__(IMP::atom::Selection self, IMP::ParticlesTemp const & h) -> Selection
10929  """
10930  this = _IMP_atom.new_Selection(*args)
10931  try:
10932  self.this.append(this)
10933  except:
10934  self.this = this
10935 
10936  def create_clone(self):
10937  """create_clone(Selection self) -> Selection"""
10938  return _IMP_atom.Selection_create_clone(self)
10939 
10940 
10941  def get_hierarchies(self):
10942  """get_hierarchies(Selection self) -> IMP::atom::Hierarchies"""
10943  return _IMP_atom.Selection_get_hierarchies(self)
10944 
10945 
10946  def set_molecules(self, mols):
10947  """set_molecules(Selection self, IMP::Strings mols)"""
10948  return _IMP_atom.Selection_set_molecules(self, mols)
10949 
10950 
10951  def set_resolution(self, r):
10952  """set_resolution(Selection self, double r)"""
10953  return _IMP_atom.Selection_set_resolution(self, r)
10954 
10955 
10956  def set_representation_type(self, t):
10957  """set_representation_type(Selection self, IMP::atom::RepresentationType t)"""
10958  return _IMP_atom.Selection_set_representation_type(self, t)
10959 
10960 
10961  def set_state_index(self, state):
10962  """set_state_index(Selection self, int state)"""
10963  return _IMP_atom.Selection_set_state_index(self, state)
10964 
10965 
10966  def set_state_indexes(self, states):
10967  """set_state_indexes(Selection self, IMP::Ints states)"""
10968  return _IMP_atom.Selection_set_state_indexes(self, states)
10969 
10970 
10971  def set_terminus(self, t):
10972  """set_terminus(Selection self, IMP::atom::Selection::Terminus t)"""
10973  return _IMP_atom.Selection_set_terminus(self, t)
10974 
10975 
10976  def set_element(self, e):
10977  """set_element(Selection self, IMP::atom::Element e)"""
10978  return _IMP_atom.Selection_set_element(self, e)
10979 
10980 
10981  def set_chain_ids(self, chains):
10982  """set_chain_ids(Selection self, IMP::Strings chains)"""
10983  return _IMP_atom.Selection_set_chain_ids(self, chains)
10984 
10985 
10986  def set_chains(self, chains):
10987  """set_chains(Selection self, IMP::Strings chains)"""
10988  return _IMP_atom.Selection_set_chains(self, chains)
10989 
10990 
10991  def set_residue_indexes(self, indexes):
10992  """set_residue_indexes(Selection self, IMP::Ints indexes)"""
10993  return _IMP_atom.Selection_set_residue_indexes(self, indexes)
10994 
10995 
10996  def set_atom_types(self, types):
10997  """set_atom_types(Selection self, IMP::atom::AtomTypes types)"""
10998  return _IMP_atom.Selection_set_atom_types(self, types)
10999 
11000 
11001  def set_residue_types(self, types):
11002  """set_residue_types(Selection self, IMP::atom::ResidueTypes types)"""
11003  return _IMP_atom.Selection_set_residue_types(self, types)
11004 
11005 
11006  def set_domains(self, names):
11007  """set_domains(Selection self, IMP::Strings names)"""
11008  return _IMP_atom.Selection_set_domains(self, names)
11009 
11010 
11011  def set_molecule(self, mol):
11012  """set_molecule(Selection self, std::string mol)"""
11013  return _IMP_atom.Selection_set_molecule(self, mol)
11014 
11015 
11016  def set_chain_id(self, c):
11017  """set_chain_id(Selection self, std::string c)"""
11018  return _IMP_atom.Selection_set_chain_id(self, c)
11019 
11020 
11021  def set_chain(self, c):
11022  """set_chain(Selection self, std::string c)"""
11023  return _IMP_atom.Selection_set_chain(self, c)
11024 
11025 
11026  def set_residue_index(self, i):
11027  """set_residue_index(Selection self, int i)"""
11028  return _IMP_atom.Selection_set_residue_index(self, i)
11029 
11030 
11031  def set_atom_type(self, types):
11032  """set_atom_type(Selection self, AtomType types)"""
11033  return _IMP_atom.Selection_set_atom_type(self, types)
11034 
11035 
11036  def set_residue_type(self, type):
11037  """set_residue_type(Selection self, ResidueType type)"""
11038  return _IMP_atom.Selection_set_residue_type(self, type)
11039 
11040 
11041  def set_domain(self, name):
11042  """set_domain(Selection self, std::string name)"""
11043  return _IMP_atom.Selection_set_domain(self, name)
11044 
11045 
11046  def set_copy_index(self, copy):
11047  """set_copy_index(Selection self, unsigned int copy)"""
11048  return _IMP_atom.Selection_set_copy_index(self, copy)
11049 
11050 
11051  def set_copy_indexes(self, copies):
11052  """set_copy_indexes(Selection self, IMP::Ints copies)"""
11053  return _IMP_atom.Selection_set_copy_indexes(self, copies)
11054 
11055 
11056  def set_particle_type(self, t):
11057  """set_particle_type(Selection self, ParticleType t)"""
11058  return _IMP_atom.Selection_set_particle_type(self, t)
11059 
11060 
11061  def set_particle_types(self, t):
11062  """set_particle_types(Selection self, IMP::core::ParticleTypes t)"""
11063  return _IMP_atom.Selection_set_particle_types(self, t)
11064 
11065 
11066  def set_hierarchy_types(self, types):
11067  """set_hierarchy_types(Selection self, IMP::Ints types)"""
11068  return _IMP_atom.Selection_set_hierarchy_types(self, types)
11069 
11070 
11071  def set_intersection(self, s):
11072  """set_intersection(Selection self, Selection s)"""
11073  return _IMP_atom.Selection_set_intersection(self, s)
11074 
11075 
11076  def set_union(self, s):
11077  """set_union(Selection self, Selection s)"""
11078  return _IMP_atom.Selection_set_union(self, s)
11079 
11080 
11081  def set_symmetric_difference(self, s):
11082  """set_symmetric_difference(Selection self, Selection s)"""
11083  return _IMP_atom.Selection_set_symmetric_difference(self, s)
11084 
11085 
11086  def set_difference(self, s):
11087  """set_difference(Selection self, Selection s)"""
11088  return _IMP_atom.Selection_set_difference(self, s)
11089 
11090 
11091  def get_selected_particles(self, with_representation=True):
11092  """
11093  get_selected_particles(Selection self, bool with_representation=True) -> IMP::ParticlesTemp
11094  get_selected_particles(Selection self) -> IMP::ParticlesTemp
11095  """
11096  return _IMP_atom.Selection_get_selected_particles(self, with_representation)
11097 
11098 
11099  def get_selected_particle_indexes(self, with_representation=True):
11100  """
11101  get_selected_particle_indexes(Selection self, bool with_representation=True) -> IMP::ParticleIndexes
11102  get_selected_particle_indexes(Selection self) -> IMP::ParticleIndexes
11103  """
11104  return _IMP_atom.Selection_get_selected_particle_indexes(self, with_representation)
11105 
11106 
11107  def show(self, *args):
11108  """
11109  show(Selection self, _ostream out)
11110  show(Selection self)
11111  """
11112  return _IMP_atom.Selection_show(self, *args)
11113 
11114 
11115  def __str__(self):
11116  """__str__(Selection self) -> std::string"""
11117  return _IMP_atom.Selection___str__(self)
11118 
11119 
11120  def __repr__(self):
11121  """__repr__(Selection self) -> std::string"""
11122  return _IMP_atom.Selection___repr__(self)
11123 
11124 
11125  def __init__(self, hierarchy=None,
11126  hierarchies=None, **params):
11127  if hierarchy and hierarchies:
11128  raise RuntimeError("You can't pass both hierarchy and hierarchies to Selection")
11129  if hierarchy:
11130  this = _IMP_atom.new_Selection(hierarchy)
11131  try: self.this.append(this)
11132  except: self.this = this
11133  elif hierarchies:
11134  this = _IMP_atom.new_Selection(hierarchies)
11135  try: self.this.append(this)
11136  except: self.this = this
11137  else:
11138  raise ValueError("Either hierarchy or hierarchies must be provided.")
11139  for k in params.keys():
11140  eval("self.set_%s(params[k])"%k)
11141 
11142  def union(self, s):
11143  news = self.create_clone()
11144  news.union_update(s)
11145  return news
11146  def intersection(self, s):
11147  news = self.create_clone()
11148  news.intersection_update(s)
11149  return news
11150  def symmetric_difference(self, s):
11151  news = self.create_clone()
11152  news.symmetric_difference_update(s)
11153  return news
11154  def difference(self, s):
11155  news = self.create_clone()
11156  news.difference_update(s)
11157  return news
11158  def union_update(self, s):
11159  self.set_union(s)
11160  return self
11161  def intersection_update(self, s):
11162  self.set_intersection(s)
11163  return self
11164  def symmetric_difference_update(self, s):
11165  self.set_symmetric_difference(s)
11166  return self
11167  def difference_update(self, s):
11168  self.set_difference(s)
11169  return self
11170  __or__ = union
11171  __and__ = intersection
11172  __xor__ = symmetric_difference
11173  __sub__ = difference
11174  __ior__ = union_update
11175  __iand__ = intersection_update
11176  __ixor__ = symmetric_difference_update
11177  __isub__ = difference_update
11178 
11179  __swig_destroy__ = _IMP_atom.delete_Selection
11180  __del__ = lambda self: None
11181 Selection_swigregister = _IMP_atom.Selection_swigregister
11182 Selection_swigregister(Selection)
11183 
11184 
11185 def create_distance_restraint(*args):
11186  """
11187  create_distance_restraint(Selection n0, Selection n1, double x0, double k, std::string name) -> Restraint
11188  create_distance_restraint(Selection n0, Selection n1, double x0, double k) -> Restraint
11189  """
11190  return _IMP_atom.create_distance_restraint(*args)
11191 
11193  """
11194  create_connectivity_restraint(IMP::atom::Selections const & s, double k, std::string name) -> Restraint
11195  create_connectivity_restraint(IMP::atom::Selections const & s, double k) -> Restraint
11196  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k, std::string name) -> Restraint
11197  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k) -> Restraint
11198  """
11199  return _IMP_atom.create_connectivity_restraint(*args)
11200 
11202  """
11203  create_internal_connectivity_restraint(Selection s, double k, std::string name) -> Restraint
11204  create_internal_connectivity_restraint(Selection s, double k) -> Restraint
11205  create_internal_connectivity_restraint(Selection s, double x0, double k, std::string name) -> Restraint
11206  create_internal_connectivity_restraint(Selection s, double x0, double k) -> Restraint
11207  """
11208  return _IMP_atom.create_internal_connectivity_restraint(*args)
11209 
11210 def create_cover(*args):
11211  """
11212  create_cover(Selection s, std::string name) -> XYZR
11213  create_cover(Selection s) -> XYZR
11214  """
11215  return _IMP_atom.create_cover(*args)
11216 
11217 def get_mass(*args):
11218  """
11219  get_mass(ResidueType c) -> double
11220  get_mass(Selection s) -> double
11221  """
11222  return _IMP_atom.get_mass(*args)
11223 
11224 def get_volume(s):
11225  """get_volume(Selection s) -> double"""
11226  return _IMP_atom.get_volume(s)
11227 
11228 def get_surface_area(s):
11229  """get_surface_area(Selection s) -> double"""
11230  return _IMP_atom.get_surface_area(s)
11231 
11232 def get_leaves(*args):
11233  """
11234  get_leaves(Hierarchy h) -> IMP::atom::Hierarchies
11235  get_leaves(IMP::atom::Hierarchies const & h) -> IMP::atom::Hierarchies
11236  get_leaves(Selection h) -> IMP::atom::Hierarchies
11237  """
11238  return _IMP_atom.get_leaves(*args)
11239 class SelectionGeometry(IMP.display.Geometry):
11240  """Proxy of C++ IMP::atom::SelectionGeometry class"""
11241  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11242 
11243  def __init__(self, *args):
11244  """
11245  __init__(IMP::atom::SelectionGeometry self, Selection d, std::string name) -> SelectionGeometry
11246  __init__(IMP::atom::SelectionGeometry self, Selection d) -> SelectionGeometry
11247  """
11248  this = _IMP_atom.new_SelectionGeometry(*args)
11249  try:
11250  self.this.append(this)
11251  except:
11252  self.this = this
11253 
11254  def get_version_info(self):
11255  """get_version_info(SelectionGeometry self) -> VersionInfo"""
11256  return _IMP_atom.SelectionGeometry_get_version_info(self)
11257 
11258 
11259  def __str__(self):
11260  """__str__(SelectionGeometry self) -> std::string"""
11261  return _IMP_atom.SelectionGeometry___str__(self)
11262 
11263 
11264  def __repr__(self):
11265  """__repr__(SelectionGeometry self) -> std::string"""
11266  return _IMP_atom.SelectionGeometry___repr__(self)
11267 
11268 
11269  @staticmethod
11270  def get_from(o):
11271  return _object_cast_to_SelectionGeometry(o)
11272 
11273 SelectionGeometry_swigregister = _IMP_atom.SelectionGeometry_swigregister
11274 SelectionGeometry_swigregister(SelectionGeometry)
11275 
11276 
11277 def get_rmsd(*args):
11278  """
11279  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
11280  get_rmsd(Selection s0, Selection s1) -> double
11281  """
11282  return _IMP_atom.get_rmsd(*args)
11283 
11284 def get_rmsd_transforming_first(*args):
11285  """
11286  get_rmsd_transforming_first(Transformation3D tr, IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
11287  get_rmsd_transforming_first(Transformation3D tr, Selection s0, Selection s1) -> double
11288  """
11289  return _IMP_atom.get_rmsd_transforming_first(*args)
11290 
11291 def get_placement_score(source, target):
11292  """get_placement_score(IMP::core::XYZs const & source, IMP::core::XYZs const & target) -> IMP::FloatPair"""
11293  return _IMP_atom.get_placement_score(source, target)
11294 
11295 def get_component_placement_score(ref1, ref2, mdl1, mdl2):
11296  """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"""
11297  return _IMP_atom.get_component_placement_score(ref1, ref2, mdl1, mdl2)
11298 
11299 def get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2):
11300  """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"""
11301  return _IMP_atom.get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2)
11302 
11303 def get_radius_of_gyration(*args):
11304  """
11305  get_radius_of_gyration(Selection s) -> double
11306  get_radius_of_gyration(IMP::ParticlesTemp const & ps, bool weighted=True) -> double
11307  get_radius_of_gyration(IMP::ParticlesTemp const & ps) -> double
11308  """
11309  return _IMP_atom.get_radius_of_gyration(*args)
11310 class ForceFieldParameters(IMP.Object):
11311  """Proxy of C++ IMP::atom::ForceFieldParameters class"""
11312  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11313 
11314  def __init__(self):
11315  """__init__(IMP::atom::ForceFieldParameters self) -> ForceFieldParameters"""
11316  this = _IMP_atom.new_ForceFieldParameters()
11317  try:
11318  self.this.append(this)
11319  except:
11320  self.this = this
11321 
11322  def get_radius(self, atom):
11323  """get_radius(ForceFieldParameters self, Atom atom) -> IMP::Float"""
11324  return _IMP_atom.ForceFieldParameters_get_radius(self, atom)
11325 
11326 
11327  def get_epsilon(self, atom):
11328  """get_epsilon(ForceFieldParameters self, Atom atom) -> IMP::Float"""
11329  return _IMP_atom.ForceFieldParameters_get_epsilon(self, atom)
11330 
11331 
11332  def add_radii(self, *args):
11333  """
11334  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0, FloatKey radius_key)
11335  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0)
11336  add_radii(ForceFieldParameters self, Hierarchy mhd)
11337  """
11338  return _IMP_atom.ForceFieldParameters_add_radii(self, *args)
11339 
11340 
11341  def add_well_depths(self, mhd):
11342  """add_well_depths(ForceFieldParameters self, Hierarchy mhd)"""
11343  return _IMP_atom.ForceFieldParameters_add_well_depths(self, mhd)
11344 
11345 
11346  def add_bonds(self, mhd):
11347  """add_bonds(ForceFieldParameters self, Hierarchy mhd)"""
11348  return _IMP_atom.ForceFieldParameters_add_bonds(self, mhd)
11349 
11350  __swig_destroy__ = _IMP_atom.delete_ForceFieldParameters
11351  __del__ = lambda self: None
11352 
11353  def __str__(self):
11354  """__str__(ForceFieldParameters self) -> std::string"""
11355  return _IMP_atom.ForceFieldParameters___str__(self)
11356 
11357 
11358  def __repr__(self):
11359  """__repr__(ForceFieldParameters self) -> std::string"""
11360  return _IMP_atom.ForceFieldParameters___repr__(self)
11361 
11362 
11363  @staticmethod
11364  def get_from(o):
11365  return _object_cast_to_ForceFieldParameters(o)
11366 
11367 ForceFieldParameters_swigregister = _IMP_atom.ForceFieldParameters_swigregister
11368 ForceFieldParameters_swigregister(ForceFieldParameters)
11369 
11370 class CHARMMAtomTopology(object):
11371  """Proxy of C++ IMP::atom::CHARMMAtomTopology class"""
11372  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11373 
11374  def __init__(self, *args):
11375  """
11376  __init__(IMP::atom::CHARMMAtomTopology self, std::string name) -> CHARMMAtomTopology
11377  __init__(IMP::atom::CHARMMAtomTopology self, std::string name, CHARMMAtomTopology other) -> CHARMMAtomTopology
11378  """
11379  this = _IMP_atom.new_CHARMMAtomTopology(*args)
11380  try:
11381  self.this.append(this)
11382  except:
11383  self.this = this
11384 
11385  def get_name(self):
11386  """get_name(CHARMMAtomTopology self) -> std::string"""
11387  return _IMP_atom.CHARMMAtomTopology_get_name(self)
11388 
11389 
11390  def get_charmm_type(self):
11391  """get_charmm_type(CHARMMAtomTopology self) -> std::string"""
11392  return _IMP_atom.CHARMMAtomTopology_get_charmm_type(self)
11393 
11394 
11395  def get_charge(self):
11396  """get_charge(CHARMMAtomTopology self) -> double"""
11397  return _IMP_atom.CHARMMAtomTopology_get_charge(self)
11398 
11399 
11400  def set_charmm_type(self, charmm_type):
11401  """set_charmm_type(CHARMMAtomTopology self, std::string charmm_type)"""
11402  return _IMP_atom.CHARMMAtomTopology_set_charmm_type(self, charmm_type)
11403 
11404 
11405  def set_charge(self, charge):
11406  """set_charge(CHARMMAtomTopology self, double charge)"""
11407  return _IMP_atom.CHARMMAtomTopology_set_charge(self, charge)
11408 
11409 
11410  def show(self, *args):
11411  """
11412  show(CHARMMAtomTopology self, _ostream out)
11413  show(CHARMMAtomTopology self)
11414  """
11415  return _IMP_atom.CHARMMAtomTopology_show(self, *args)
11416 
11417 
11418  def __str__(self):
11419  """__str__(CHARMMAtomTopology self) -> std::string"""
11420  return _IMP_atom.CHARMMAtomTopology___str__(self)
11421 
11422 
11423  def __repr__(self):
11424  """__repr__(CHARMMAtomTopology self) -> std::string"""
11425  return _IMP_atom.CHARMMAtomTopology___repr__(self)
11426 
11427  __swig_destroy__ = _IMP_atom.delete_CHARMMAtomTopology
11428  __del__ = lambda self: None
11429 CHARMMAtomTopology_swigregister = _IMP_atom.CHARMMAtomTopology_swigregister
11430 CHARMMAtomTopology_swigregister(CHARMMAtomTopology)
11431 
11432 class CHARMMBondEndpoint(object):
11433  """Proxy of C++ IMP::atom::CHARMMBondEndpoint class"""
11434  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11435 
11436  def __init__(self, atom_name, residue=None):
11437  """
11438  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name, CHARMMResidueTopology residue=None) -> CHARMMBondEndpoint
11439  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name) -> CHARMMBondEndpoint
11440  """
11441  this = _IMP_atom.new_CHARMMBondEndpoint(atom_name, residue)
11442  try:
11443  self.this.append(this)
11444  except:
11445  self.this = this
11446 
11447  def get_atom_name(self):
11448  """get_atom_name(CHARMMBondEndpoint self) -> std::string"""
11449  return _IMP_atom.CHARMMBondEndpoint_get_atom_name(self)
11450 
11451 
11452  def get_atom(self, current_residue, previous_residue, next_residue, resmap):
11453  """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"""
11454  return _IMP_atom.CHARMMBondEndpoint_get_atom(self, current_residue, previous_residue, next_residue, resmap)
11455 
11456 
11457  def show(self, *args):
11458  """
11459  show(CHARMMBondEndpoint self, _ostream out)
11460  show(CHARMMBondEndpoint self)
11461  """
11462  return _IMP_atom.CHARMMBondEndpoint_show(self, *args)
11463 
11464 
11465  def __str__(self):
11466  """__str__(CHARMMBondEndpoint self) -> std::string"""
11467  return _IMP_atom.CHARMMBondEndpoint___str__(self)
11468 
11469 
11470  def __repr__(self):
11471  """__repr__(CHARMMBondEndpoint self) -> std::string"""
11472  return _IMP_atom.CHARMMBondEndpoint___repr__(self)
11473 
11474  __swig_destroy__ = _IMP_atom.delete_CHARMMBondEndpoint
11475  __del__ = lambda self: None
11476 CHARMMBondEndpoint_swigregister = _IMP_atom.CHARMMBondEndpoint_swigregister
11477 CHARMMBondEndpoint_swigregister(CHARMMBondEndpoint)
11478 
11479 class CHARMMDihedral(object):
11480  """Proxy of C++ IMP::atom::CHARMMConnection<(4)> class"""
11481  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11482  __repr__ = _swig_repr
11483 
11484  def __init__(self, atoms):
11485  """__init__(IMP::atom::CHARMMConnection<(4)> self, IMP::Strings const & atoms) -> CHARMMDihedral"""
11486  this = _IMP_atom.new_CHARMMDihedral(atoms)
11487  try:
11488  self.this.append(this)
11489  except:
11490  self.this = this
11491 
11492  def get_endpoint(self, i):
11493  """get_endpoint(CHARMMDihedral self, unsigned int i) -> CHARMMBondEndpoint"""
11494  return _IMP_atom.CHARMMDihedral_get_endpoint(self, i)
11495 
11496 
11497  def get_contains_atom(self, name):
11498  """get_contains_atom(CHARMMDihedral self, std::string name) -> bool"""
11499  return _IMP_atom.CHARMMDihedral_get_contains_atom(self, name)
11500 
11501 
11502  def show(self, *args):
11503  """
11504  show(CHARMMDihedral self, _ostream out)
11505  show(CHARMMDihedral self)
11506  """
11507  return _IMP_atom.CHARMMDihedral_show(self, *args)
11508 
11509  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedral
11510  __del__ = lambda self: None
11511 CHARMMDihedral_swigregister = _IMP_atom.CHARMMDihedral_swigregister
11512 CHARMMDihedral_swigregister(CHARMMDihedral)
11513 
11514 class CHARMMInternalCoordinate(CHARMMDihedral):
11515  """Proxy of C++ IMP::atom::CHARMMInternalCoordinate class"""
11516  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11517 
11518  def __init__(self, *args):
11519  """
11520  __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
11521  __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
11522  """
11523  this = _IMP_atom.new_CHARMMInternalCoordinate(*args)
11524  try:
11525  self.this.append(this)
11526  except:
11527  self.this = this
11528 
11529  def get_first_distance(self):
11530  """get_first_distance(CHARMMInternalCoordinate self) -> float"""
11531  return _IMP_atom.CHARMMInternalCoordinate_get_first_distance(self)
11532 
11533 
11534  def get_second_distance(self):
11535  """get_second_distance(CHARMMInternalCoordinate self) -> float"""
11536  return _IMP_atom.CHARMMInternalCoordinate_get_second_distance(self)
11537 
11538 
11539  def get_first_angle(self):
11540  """get_first_angle(CHARMMInternalCoordinate self) -> float"""
11541  return _IMP_atom.CHARMMInternalCoordinate_get_first_angle(self)
11542 
11543 
11544  def get_second_angle(self):
11545  """get_second_angle(CHARMMInternalCoordinate self) -> float"""
11546  return _IMP_atom.CHARMMInternalCoordinate_get_second_angle(self)
11547 
11548 
11549  def get_dihedral(self):
11550  """get_dihedral(CHARMMInternalCoordinate self) -> float"""
11551  return _IMP_atom.CHARMMInternalCoordinate_get_dihedral(self)
11552 
11553 
11554  def get_improper(self):
11555  """get_improper(CHARMMInternalCoordinate self) -> bool"""
11556  return _IMP_atom.CHARMMInternalCoordinate_get_improper(self)
11557 
11558 
11559  def show(self, *args):
11560  """
11561  show(CHARMMInternalCoordinate self, _ostream out)
11562  show(CHARMMInternalCoordinate self)
11563  """
11564  return _IMP_atom.CHARMMInternalCoordinate_show(self, *args)
11565 
11566 
11567  def __str__(self):
11568  """__str__(CHARMMInternalCoordinate self) -> std::string"""
11569  return _IMP_atom.CHARMMInternalCoordinate___str__(self)
11570 
11571 
11572  def __repr__(self):
11573  """__repr__(CHARMMInternalCoordinate self) -> std::string"""
11574  return _IMP_atom.CHARMMInternalCoordinate___repr__(self)
11575 
11576  __swig_destroy__ = _IMP_atom.delete_CHARMMInternalCoordinate
11577  __del__ = lambda self: None
11578 CHARMMInternalCoordinate_swigregister = _IMP_atom.CHARMMInternalCoordinate_swigregister
11579 CHARMMInternalCoordinate_swigregister(CHARMMInternalCoordinate)
11580 
11581 class CHARMMResidueTopologyBase(IMP.Object):
11582  """Proxy of C++ IMP::atom::CHARMMResidueTopologyBase class"""
11583  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11584 
11585  def __init__(self, *args, **kwargs):
11586  raise AttributeError("No constructor defined")
11587 
11588  def get_type(self):
11589  """get_type(CHARMMResidueTopologyBase self) -> std::string"""
11590  return _IMP_atom.CHARMMResidueTopologyBase_get_type(self)
11591 
11592 
11593  def get_number_of_atoms(self):
11594  """get_number_of_atoms(CHARMMResidueTopologyBase self) -> unsigned int"""
11595  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_atoms(self)
11596 
11597 
11598  def add_atom(self, atom):
11599  """add_atom(CHARMMResidueTopologyBase self, CHARMMAtomTopology atom)"""
11600  return _IMP_atom.CHARMMResidueTopologyBase_add_atom(self, atom)
11601 
11602 
11603  def get_atom(self, *args):
11604  """
11605  get_atom(CHARMMResidueTopologyBase self, unsigned int i) -> CHARMMAtomTopology
11606  get_atom(CHARMMResidueTopologyBase self, AtomType type) -> CHARMMAtomTopology
11607  get_atom(CHARMMResidueTopologyBase self, std::string name) -> CHARMMAtomTopology
11608  """
11609  return _IMP_atom.CHARMMResidueTopologyBase_get_atom(self, *args)
11610 
11611 
11612  def get_number_of_bonds(self):
11613  """get_number_of_bonds(CHARMMResidueTopologyBase self) -> unsigned int"""
11614  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_bonds(self)
11615 
11616 
11617  def add_bond(self, bond):
11618  """add_bond(CHARMMResidueTopologyBase self, CHARMMBond bond)"""
11619  return _IMP_atom.CHARMMResidueTopologyBase_add_bond(self, bond)
11620 
11621 
11622  def get_number_of_angles(self):
11623  """get_number_of_angles(CHARMMResidueTopologyBase self) -> unsigned int"""
11624  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_angles(self)
11625 
11626 
11627  def add_angle(self, bond):
11628  """add_angle(CHARMMResidueTopologyBase self, CHARMMAngle bond)"""
11629  return _IMP_atom.CHARMMResidueTopologyBase_add_angle(self, bond)
11630 
11631 
11632  def get_number_of_dihedrals(self):
11633  """get_number_of_dihedrals(CHARMMResidueTopologyBase self) -> unsigned int"""
11634  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_dihedrals(self)
11635 
11636 
11637  def add_dihedral(self, bond):
11638  """add_dihedral(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
11639  return _IMP_atom.CHARMMResidueTopologyBase_add_dihedral(self, bond)
11640 
11641 
11642  def get_number_of_impropers(self):
11643  """get_number_of_impropers(CHARMMResidueTopologyBase self) -> unsigned int"""
11644  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_impropers(self)
11645 
11646 
11647  def add_improper(self, bond):
11648  """add_improper(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
11649  return _IMP_atom.CHARMMResidueTopologyBase_add_improper(self, bond)
11650 
11651 
11652  def get_number_of_internal_coordinates(self):
11653  """get_number_of_internal_coordinates(CHARMMResidueTopologyBase self) -> unsigned int"""
11654  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_internal_coordinates(self)
11655 
11656 
11657  def add_internal_coordinate(self, ic):
11658  """add_internal_coordinate(CHARMMResidueTopologyBase self, CHARMMInternalCoordinate ic)"""
11659  return _IMP_atom.CHARMMResidueTopologyBase_add_internal_coordinate(self, ic)
11660 
11661 
11662  def get_internal_coordinate(self, index):
11663  """get_internal_coordinate(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMInternalCoordinate"""
11664  return _IMP_atom.CHARMMResidueTopologyBase_get_internal_coordinate(self, index)
11665 
11666 
11667  def get_bond(self, index):
11668  """get_bond(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMBond"""
11669  return _IMP_atom.CHARMMResidueTopologyBase_get_bond(self, index)
11670 
11671 
11672  def get_angle(self, index):
11673  """get_angle(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMAngle"""
11674  return _IMP_atom.CHARMMResidueTopologyBase_get_angle(self, index)
11675 
11676 
11677  def get_dihedral(self, index):
11678  """get_dihedral(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
11679  return _IMP_atom.CHARMMResidueTopologyBase_get_dihedral(self, index)
11680 
11681 
11682  def get_improper(self, index):
11683  """get_improper(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
11684  return _IMP_atom.CHARMMResidueTopologyBase_get_improper(self, index)
11685 
11686 
11687  def get_version_info(self):
11688  """get_version_info(CHARMMResidueTopologyBase self) -> VersionInfo"""
11689  return _IMP_atom.CHARMMResidueTopologyBase_get_version_info(self)
11690 
11691 
11692  def __str__(self):
11693  """__str__(CHARMMResidueTopologyBase self) -> std::string"""
11694  return _IMP_atom.CHARMMResidueTopologyBase___str__(self)
11695 
11696 
11697  def __repr__(self):
11698  """__repr__(CHARMMResidueTopologyBase self) -> std::string"""
11699  return _IMP_atom.CHARMMResidueTopologyBase___repr__(self)
11700 
11701 
11702  @staticmethod
11703  def get_from(o):
11704  return _object_cast_to_CHARMMResidueTopologyBase(o)
11705 
11706 CHARMMResidueTopologyBase_swigregister = _IMP_atom.CHARMMResidueTopologyBase_swigregister
11707 CHARMMResidueTopologyBase_swigregister(CHARMMResidueTopologyBase)
11708 
11709 class CHARMMIdealResidueTopology(CHARMMResidueTopologyBase):
11710  """Proxy of C++ IMP::atom::CHARMMIdealResidueTopology class"""
11711  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11712 
11713  def __init__(self, *args):
11714  """
11715  __init__(IMP::atom::CHARMMIdealResidueTopology self, std::string type) -> CHARMMIdealResidueTopology
11716  __init__(IMP::atom::CHARMMIdealResidueTopology self, ResidueType type) -> CHARMMIdealResidueTopology
11717  """
11718  this = _IMP_atom.new_CHARMMIdealResidueTopology(*args)
11719  try:
11720  self.this.append(this)
11721  except:
11722  self.this = this
11723 
11724  def remove_atom(self, name):
11725  """remove_atom(CHARMMIdealResidueTopology self, std::string name)"""
11726  return _IMP_atom.CHARMMIdealResidueTopology_remove_atom(self, name)
11727 
11728 
11729  def set_default_first_patch(self, patch):
11730  """set_default_first_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11731  return _IMP_atom.CHARMMIdealResidueTopology_set_default_first_patch(self, patch)
11732 
11733 
11734  def set_default_last_patch(self, patch):
11735  """set_default_last_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11736  return _IMP_atom.CHARMMIdealResidueTopology_set_default_last_patch(self, patch)
11737 
11738 
11739  def get_default_first_patch(self):
11740  """get_default_first_patch(CHARMMIdealResidueTopology self) -> std::string"""
11741  return _IMP_atom.CHARMMIdealResidueTopology_get_default_first_patch(self)
11742 
11743 
11744  def get_default_last_patch(self):
11745  """get_default_last_patch(CHARMMIdealResidueTopology self) -> std::string"""
11746  return _IMP_atom.CHARMMIdealResidueTopology_get_default_last_patch(self)
11747 
11748 
11749  def __str__(self):
11750  """__str__(CHARMMIdealResidueTopology self) -> std::string"""
11751  return _IMP_atom.CHARMMIdealResidueTopology___str__(self)
11752 
11753 
11754  def __repr__(self):
11755  """__repr__(CHARMMIdealResidueTopology self) -> std::string"""
11756  return _IMP_atom.CHARMMIdealResidueTopology___repr__(self)
11757 
11758 
11759  @staticmethod
11760  def get_from(o):
11761  return _object_cast_to_CHARMMIdealResidueTopology(o)
11762 
11763 CHARMMIdealResidueTopology_swigregister = _IMP_atom.CHARMMIdealResidueTopology_swigregister
11764 CHARMMIdealResidueTopology_swigregister(CHARMMIdealResidueTopology)
11765 
11766 class CHARMMPatch(CHARMMResidueTopologyBase):
11767  """Proxy of C++ IMP::atom::CHARMMPatch class"""
11768  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11769 
11770  def __init__(self, type):
11771  """__init__(IMP::atom::CHARMMPatch self, std::string type) -> CHARMMPatch"""
11772  this = _IMP_atom.new_CHARMMPatch(type)
11773  try:
11774  self.this.append(this)
11775  except:
11776  self.this = this
11777 
11778  def add_removed_atom(self, name):
11779  """add_removed_atom(CHARMMPatch self, std::string name)"""
11780  return _IMP_atom.CHARMMPatch_add_removed_atom(self, name)
11781 
11782 
11783  def get_number_of_removed_atoms(self):
11784  """get_number_of_removed_atoms(CHARMMPatch self) -> unsigned int"""
11785  return _IMP_atom.CHARMMPatch_get_number_of_removed_atoms(self)
11786 
11787 
11788  def get_removed_atom(self, i):
11789  """get_removed_atom(CHARMMPatch self, unsigned int i) -> std::string"""
11790  return _IMP_atom.CHARMMPatch_get_removed_atom(self, i)
11791 
11792 
11793  def apply(self, *args):
11794  """
11795  apply(CHARMMPatch self, CHARMMResidueTopology res)
11796  apply(CHARMMPatch self, CHARMMResidueTopology res1, CHARMMResidueTopology res2)
11797  """
11798  return _IMP_atom.CHARMMPatch_apply(self, *args)
11799 
11800 
11801  def __str__(self):
11802  """__str__(CHARMMPatch self) -> std::string"""
11803  return _IMP_atom.CHARMMPatch___str__(self)
11804 
11805 
11806  def __repr__(self):
11807  """__repr__(CHARMMPatch self) -> std::string"""
11808  return _IMP_atom.CHARMMPatch___repr__(self)
11809 
11810 
11811  @staticmethod
11812  def get_from(o):
11813  return _object_cast_to_CHARMMPatch(o)
11814 
11815 CHARMMPatch_swigregister = _IMP_atom.CHARMMPatch_swigregister
11816 CHARMMPatch_swigregister(CHARMMPatch)
11817 
11818 class CHARMMResidueTopology(CHARMMIdealResidueTopology):
11819  """Proxy of C++ IMP::atom::CHARMMResidueTopology class"""
11820  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11821 
11822  def __init__(self, *args):
11823  """
11824  __init__(IMP::atom::CHARMMResidueTopology self, ResidueType type) -> CHARMMResidueTopology
11825  __init__(IMP::atom::CHARMMResidueTopology self, CHARMMIdealResidueTopology ideal) -> CHARMMResidueTopology
11826  """
11827  this = _IMP_atom.new_CHARMMResidueTopology(*args)
11828  try:
11829  self.this.append(this)
11830  except:
11831  self.this = this
11832 
11833  def get_patched(self):
11834  """get_patched(CHARMMResidueTopology self) -> bool"""
11835  return _IMP_atom.CHARMMResidueTopology_get_patched(self)
11836 
11837 
11838  def set_patched(self, patched):
11839  """set_patched(CHARMMResidueTopology self, bool patched)"""
11840  return _IMP_atom.CHARMMResidueTopology_set_patched(self, patched)
11841 
11842 
11843  def __str__(self):
11844  """__str__(CHARMMResidueTopology self) -> std::string"""
11845  return _IMP_atom.CHARMMResidueTopology___str__(self)
11846 
11847 
11848  def __repr__(self):
11849  """__repr__(CHARMMResidueTopology self) -> std::string"""
11850  return _IMP_atom.CHARMMResidueTopology___repr__(self)
11851 
11852 
11853  @staticmethod
11854  def get_from(o):
11855  return _object_cast_to_CHARMMResidueTopology(o)
11856 
11857 CHARMMResidueTopology_swigregister = _IMP_atom.CHARMMResidueTopology_swigregister
11858 CHARMMResidueTopology_swigregister(CHARMMResidueTopology)
11859 
11860 class CHARMMAtom(Atom):
11861  """Proxy of C++ IMP::atom::CHARMMAtom class"""
11862  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11863 
11864  def __init__(self, *args):
11865  """
11866  __init__(IMP::atom::CHARMMAtom self) -> CHARMMAtom
11867  __init__(IMP::atom::CHARMMAtom self, Model m, ParticleIndex id) -> CHARMMAtom
11868  __init__(IMP::atom::CHARMMAtom self, _ParticleAdaptor d) -> CHARMMAtom
11869  """
11870  this = _IMP_atom.new_CHARMMAtom(*args)
11871  try:
11872  self.this.append(this)
11873  except:
11874  self.this = this
11875 
11876  def show(self, *args):
11877  """
11878  show(CHARMMAtom self, _ostream out)
11879  show(CHARMMAtom self)
11880  """
11881  return _IMP_atom.CHARMMAtom_show(self, *args)
11882 
11883 
11884  def setup_particle(*args):
11885  """
11886  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
11887  setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
11888  """
11889  return _IMP_atom.CHARMMAtom_setup_particle(*args)
11890 
11891  setup_particle = staticmethod(setup_particle)
11892 
11893  def get_charmm_type(self):
11894  """get_charmm_type(CHARMMAtom self) -> IMP::String"""
11895  return _IMP_atom.CHARMMAtom_get_charmm_type(self)
11896 
11897 
11898  def set_charmm_type(self, t):
11899  """set_charmm_type(CHARMMAtom self, IMP::String t)"""
11900  return _IMP_atom.CHARMMAtom_set_charmm_type(self, t)
11901 
11902 
11903  def get_is_setup(*args):
11904  """
11905  get_is_setup(_ParticleAdaptor p) -> bool
11906  get_is_setup(Model m, ParticleIndex pi) -> bool
11907  """
11908  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
11909 
11910  get_is_setup = staticmethod(get_is_setup)
11911 
11912  def get_charmm_type_key():
11913  """get_charmm_type_key() -> StringKey"""
11914  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
11915 
11916  get_charmm_type_key = staticmethod(get_charmm_type_key)
11917 
11918  def add_attribute(self, *args):
11919  """
11920  add_attribute(CHARMMAtom self, FloatKey k, IMP::Float v, bool opt)
11921  add_attribute(CHARMMAtom self, FloatKey a0, IMP::Float a1)
11922  add_attribute(CHARMMAtom self, IntKey a0, IMP::Int a1)
11923  add_attribute(CHARMMAtom self, FloatsKey a0, IMP::Floats a1)
11924  add_attribute(CHARMMAtom self, IntsKey a0, IMP::Ints a1)
11925  add_attribute(CHARMMAtom self, StringKey a0, IMP::String a1)
11926  add_attribute(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
11927  add_attribute(CHARMMAtom self, ObjectKey a0, Object a1)
11928  """
11929  return _IMP_atom.CHARMMAtom_add_attribute(self, *args)
11930 
11931 
11932  def get_value(self, *args):
11933  """
11934  get_value(CHARMMAtom self, FloatKey a0) -> IMP::Float
11935  get_value(CHARMMAtom self, IntKey a0) -> IMP::Int
11936  get_value(CHARMMAtom self, FloatsKey a0) -> IMP::Floats
11937  get_value(CHARMMAtom self, IntsKey a0) -> IMP::Ints
11938  get_value(CHARMMAtom self, StringKey a0) -> IMP::String
11939  get_value(CHARMMAtom self, ParticleIndexKey a0) -> Particle
11940  get_value(CHARMMAtom self, ObjectKey a0) -> Object
11941  """
11942  return _IMP_atom.CHARMMAtom_get_value(self, *args)
11943 
11944 
11945  def set_value(self, *args):
11946  """
11947  set_value(CHARMMAtom self, FloatKey a0, IMP::Float a1)
11948  set_value(CHARMMAtom self, IntKey a0, IMP::Int a1)
11949  set_value(CHARMMAtom self, FloatsKey a0, IMP::Floats a1)
11950  set_value(CHARMMAtom self, IntsKey a0, IMP::Ints a1)
11951  set_value(CHARMMAtom self, StringKey a0, IMP::String a1)
11952  set_value(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
11953  set_value(CHARMMAtom self, ObjectKey a0, Object a1)
11954  """
11955  return _IMP_atom.CHARMMAtom_set_value(self, *args)
11956 
11957 
11958  def remove_attribute(self, *args):
11959  """
11960  remove_attribute(CHARMMAtom self, FloatKey a0)
11961  remove_attribute(CHARMMAtom self, IntKey a0)
11962  remove_attribute(CHARMMAtom self, FloatsKey a0)
11963  remove_attribute(CHARMMAtom self, IntsKey a0)
11964  remove_attribute(CHARMMAtom self, StringKey a0)
11965  remove_attribute(CHARMMAtom self, ParticleIndexKey a0)
11966  remove_attribute(CHARMMAtom self, ObjectKey a0)
11967  """
11968  return _IMP_atom.CHARMMAtom_remove_attribute(self, *args)
11969 
11970 
11971  def has_attribute(self, *args):
11972  """
11973  has_attribute(CHARMMAtom self, FloatKey a0) -> bool
11974  has_attribute(CHARMMAtom self, IntKey a0) -> bool
11975  has_attribute(CHARMMAtom self, FloatsKey a0) -> bool
11976  has_attribute(CHARMMAtom self, IntsKey a0) -> bool
11977  has_attribute(CHARMMAtom self, StringKey a0) -> bool
11978  has_attribute(CHARMMAtom self, ParticleIndexKey a0) -> bool
11979  has_attribute(CHARMMAtom self, ObjectKey a0) -> bool
11980  """
11981  return _IMP_atom.CHARMMAtom_has_attribute(self, *args)
11982 
11983 
11984  def get_derivative(self, a0):
11985  """get_derivative(CHARMMAtom self, FloatKey a0) -> double"""
11986  return _IMP_atom.CHARMMAtom_get_derivative(self, a0)
11987 
11988 
11989  def get_name(self):
11990  """get_name(CHARMMAtom self) -> std::string"""
11991  return _IMP_atom.CHARMMAtom_get_name(self)
11992 
11993 
11994  def clear_caches(self):
11995  """clear_caches(CHARMMAtom self)"""
11996  return _IMP_atom.CHARMMAtom_clear_caches(self)
11997 
11998 
11999  def set_name(self, a0):
12000  """set_name(CHARMMAtom self, std::string a0)"""
12001  return _IMP_atom.CHARMMAtom_set_name(self, a0)
12002 
12003 
12004  def set_check_level(self, a0):
12005  """set_check_level(CHARMMAtom self, IMP::CheckLevel a0)"""
12006  return _IMP_atom.CHARMMAtom_set_check_level(self, a0)
12007 
12008 
12009  def add_to_derivative(self, a0, a1, a2):
12010  """add_to_derivative(CHARMMAtom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
12011  return _IMP_atom.CHARMMAtom_add_to_derivative(self, a0, a1, a2)
12012 
12013 
12014  def set_is_optimized(self, a0, a1):
12015  """set_is_optimized(CHARMMAtom self, FloatKey a0, bool a1)"""
12016  return _IMP_atom.CHARMMAtom_set_is_optimized(self, a0, a1)
12017 
12018 
12019  def get_is_optimized(self, a0):
12020  """get_is_optimized(CHARMMAtom self, FloatKey a0) -> bool"""
12021  return _IMP_atom.CHARMMAtom_get_is_optimized(self, a0)
12022 
12023 
12024  def get_check_level(self):
12025  """get_check_level(CHARMMAtom self) -> IMP::CheckLevel"""
12026  return _IMP_atom.CHARMMAtom_get_check_level(self)
12027 
12028 
12029  def __eq__(self, *args):
12030  """
12031  __eq__(CHARMMAtom self, CHARMMAtom o) -> bool
12032  __eq__(CHARMMAtom self, Particle d) -> bool
12033  """
12034  return _IMP_atom.CHARMMAtom___eq__(self, *args)
12035 
12036 
12037  def __ne__(self, *args):
12038  """
12039  __ne__(CHARMMAtom self, CHARMMAtom o) -> bool
12040  __ne__(CHARMMAtom self, Particle d) -> bool
12041  """
12042  return _IMP_atom.CHARMMAtom___ne__(self, *args)
12043 
12044 
12045  def __le__(self, *args):
12046  """
12047  __le__(CHARMMAtom self, CHARMMAtom o) -> bool
12048  __le__(CHARMMAtom self, Particle d) -> bool
12049  """
12050  return _IMP_atom.CHARMMAtom___le__(self, *args)
12051 
12052 
12053  def __lt__(self, *args):
12054  """
12055  __lt__(CHARMMAtom self, CHARMMAtom o) -> bool
12056  __lt__(CHARMMAtom self, Particle d) -> bool
12057  """
12058  return _IMP_atom.CHARMMAtom___lt__(self, *args)
12059 
12060 
12061  def __ge__(self, *args):
12062  """
12063  __ge__(CHARMMAtom self, CHARMMAtom o) -> bool
12064  __ge__(CHARMMAtom self, Particle d) -> bool
12065  """
12066  return _IMP_atom.CHARMMAtom___ge__(self, *args)
12067 
12068 
12069  def __gt__(self, *args):
12070  """
12071  __gt__(CHARMMAtom self, CHARMMAtom o) -> bool
12072  __gt__(CHARMMAtom self, Particle d) -> bool
12073  """
12074  return _IMP_atom.CHARMMAtom___gt__(self, *args)
12075 
12076 
12077  def __hash__(self):
12078  """__hash__(CHARMMAtom self) -> std::size_t"""
12079  return _IMP_atom.CHARMMAtom___hash__(self)
12080 
12081 
12082  def __str__(self):
12083  """__str__(CHARMMAtom self) -> std::string"""
12084  return _IMP_atom.CHARMMAtom___str__(self)
12085 
12086 
12087  def __repr__(self):
12088  """__repr__(CHARMMAtom self) -> std::string"""
12089  return _IMP_atom.CHARMMAtom___repr__(self)
12090 
12091  __swig_destroy__ = _IMP_atom.delete_CHARMMAtom
12092  __del__ = lambda self: None
12093 CHARMMAtom_swigregister = _IMP_atom.CHARMMAtom_swigregister
12094 CHARMMAtom_swigregister(CHARMMAtom)
12095 
12096 def CHARMMAtom_setup_particle(*args):
12097  """
12098  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
12099  CHARMMAtom_setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
12100  """
12101  return _IMP_atom.CHARMMAtom_setup_particle(*args)
12102 
12103 def CHARMMAtom_get_is_setup(*args):
12104  """
12105  get_is_setup(_ParticleAdaptor p) -> bool
12106  CHARMMAtom_get_is_setup(Model m, ParticleIndex pi) -> bool
12107  """
12108  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
12109 
12110 def CHARMMAtom_get_charmm_type_key():
12111  """CHARMMAtom_get_charmm_type_key() -> StringKey"""
12112  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
12113 
12114 
12115 def get_charmm_untyped_atoms(hierarchy):
12116  """get_charmm_untyped_atoms(Hierarchy hierarchy) -> IMP::atom::Atoms"""
12117  return _IMP_atom.get_charmm_untyped_atoms(hierarchy)
12118 
12119 def remove_charmm_untyped_atoms(hierarchy):
12120  """remove_charmm_untyped_atoms(Hierarchy hierarchy)"""
12121  return _IMP_atom.remove_charmm_untyped_atoms(hierarchy)
12122 class CHARMMBondParameters(object):
12123  """Proxy of C++ IMP::atom::CHARMMBondParameters class"""
12124  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12125  force_constant = _swig_property(_IMP_atom.CHARMMBondParameters_force_constant_get, _IMP_atom.CHARMMBondParameters_force_constant_set)
12126  ideal = _swig_property(_IMP_atom.CHARMMBondParameters_ideal_get, _IMP_atom.CHARMMBondParameters_ideal_set)
12127 
12128  def __init__(self):
12129  """__init__(IMP::atom::CHARMMBondParameters self) -> CHARMMBondParameters"""
12130  this = _IMP_atom.new_CHARMMBondParameters()
12131  try:
12132  self.this.append(this)
12133  except:
12134  self.this = this
12135 
12136  def show(self, *args):
12137  """
12138  show(CHARMMBondParameters self, _ostream out)
12139  show(CHARMMBondParameters self)
12140  """
12141  return _IMP_atom.CHARMMBondParameters_show(self, *args)
12142 
12143 
12144  def __str__(self):
12145  """__str__(CHARMMBondParameters self) -> std::string"""
12146  return _IMP_atom.CHARMMBondParameters___str__(self)
12147 
12148 
12149  def __repr__(self):
12150  """__repr__(CHARMMBondParameters self) -> std::string"""
12151  return _IMP_atom.CHARMMBondParameters___repr__(self)
12152 
12153  __swig_destroy__ = _IMP_atom.delete_CHARMMBondParameters
12154  __del__ = lambda self: None
12155 CHARMMBondParameters_swigregister = _IMP_atom.CHARMMBondParameters_swigregister
12156 CHARMMBondParameters_swigregister(CHARMMBondParameters)
12157 
12158 class CHARMMDihedralParameters(object):
12159  """Proxy of C++ IMP::atom::CHARMMDihedralParameters class"""
12160  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12161  force_constant = _swig_property(_IMP_atom.CHARMMDihedralParameters_force_constant_get, _IMP_atom.CHARMMDihedralParameters_force_constant_set)
12162  multiplicity = _swig_property(_IMP_atom.CHARMMDihedralParameters_multiplicity_get, _IMP_atom.CHARMMDihedralParameters_multiplicity_set)
12163  ideal = _swig_property(_IMP_atom.CHARMMDihedralParameters_ideal_get, _IMP_atom.CHARMMDihedralParameters_ideal_set)
12164 
12165  def __init__(self):
12166  """__init__(IMP::atom::CHARMMDihedralParameters self) -> CHARMMDihedralParameters"""
12167  this = _IMP_atom.new_CHARMMDihedralParameters()
12168  try:
12169  self.this.append(this)
12170  except:
12171  self.this = this
12172 
12173  def show(self, *args):
12174  """
12175  show(CHARMMDihedralParameters self, _ostream out)
12176  show(CHARMMDihedralParameters self)
12177  """
12178  return _IMP_atom.CHARMMDihedralParameters_show(self, *args)
12179 
12180 
12181  def __str__(self):
12182  """__str__(CHARMMDihedralParameters self) -> std::string"""
12183  return _IMP_atom.CHARMMDihedralParameters___str__(self)
12184 
12185 
12186  def __repr__(self):
12187  """__repr__(CHARMMDihedralParameters self) -> std::string"""
12188  return _IMP_atom.CHARMMDihedralParameters___repr__(self)
12189 
12190  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedralParameters
12191  __del__ = lambda self: None
12192 CHARMMDihedralParameters_swigregister = _IMP_atom.CHARMMDihedralParameters_swigregister
12193 CHARMMDihedralParameters_swigregister(CHARMMDihedralParameters)
12194 
12195 class CHARMMParameters(ForceFieldParameters):
12196  """Proxy of C++ IMP::atom::CHARMMParameters class"""
12197  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12198 
12199  def __init__(self, *args):
12200  """
12201  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name, bool translate_names_to_pdb=False) -> CHARMMParameters
12202  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name) -> CHARMMParameters
12203  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name) -> CHARMMParameters
12204  """
12205  this = _IMP_atom.new_CHARMMParameters(*args)
12206  try:
12207  self.this.append(this)
12208  except:
12209  self.this = this
12210 
12211  def add_residue_topology(self, res):
12212  """add_residue_topology(CHARMMParameters self, CHARMMIdealResidueTopology res)"""
12213  return _IMP_atom.CHARMMParameters_add_residue_topology(self, res)
12214 
12215 
12216  def get_residue_topology(self, type):
12217  """get_residue_topology(CHARMMParameters self, ResidueType type) -> CHARMMIdealResidueTopology"""
12218  return _IMP_atom.CHARMMParameters_get_residue_topology(self, type)
12219 
12220 
12221  def add_patch(self, patch):
12222  """add_patch(CHARMMParameters self, CHARMMPatch patch)"""
12223  return _IMP_atom.CHARMMParameters_add_patch(self, patch)
12224 
12225 
12226  def get_patch(self, name):
12227  """get_patch(CHARMMParameters self, std::string name) -> CHARMMPatch"""
12228  return _IMP_atom.CHARMMParameters_get_patch(self, name)
12229 
12230 
12231  def create_topology(self, hierarchy):
12232  """create_topology(CHARMMParameters self, Hierarchy hierarchy) -> CHARMMTopology"""
12233  return _IMP_atom.CHARMMParameters_create_topology(self, hierarchy)
12234 
12235 
12236  def get_bond_parameters(self, type1, type2):
12237  """get_bond_parameters(CHARMMParameters self, std::string type1, std::string type2) -> CHARMMBondParameters"""
12238  return _IMP_atom.CHARMMParameters_get_bond_parameters(self, type1, type2)
12239 
12240 
12241  def get_angle_parameters(self, type1, type2, type3):
12242  """get_angle_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3) -> CHARMMBondParameters"""
12243  return _IMP_atom.CHARMMParameters_get_angle_parameters(self, type1, type2, type3)
12244 
12245 
12246  def get_dihedral_parameters(self, type1, type2, type3, type4):
12247  """get_dihedral_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> IMP::atom::CHARMMDihedralParametersList"""
12248  return _IMP_atom.CHARMMParameters_get_dihedral_parameters(self, type1, type2, type3, type4)
12249 
12250 
12251  def get_improper_parameters(self, type1, type2, type3, type4):
12252  """get_improper_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> CHARMMDihedralParameters"""
12253  return _IMP_atom.CHARMMParameters_get_improper_parameters(self, type1, type2, type3, type4)
12254 
12255 
12256  def create_angles(self, bonds):
12257  """create_angles(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
12258  return _IMP_atom.CHARMMParameters_create_angles(self, bonds)
12259 
12260 
12261  def create_dihedrals(self, bonds):
12262  """create_dihedrals(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
12263  return _IMP_atom.CHARMMParameters_create_dihedrals(self, bonds)
12264 
12265 
12266  def get_version_info(self):
12267  """get_version_info(CHARMMParameters self) -> VersionInfo"""
12268  return _IMP_atom.CHARMMParameters_get_version_info(self)
12269 
12270 
12271  def __str__(self):
12272  """__str__(CHARMMParameters self) -> std::string"""
12273  return _IMP_atom.CHARMMParameters___str__(self)
12274 
12275 
12276  def __repr__(self):
12277  """__repr__(CHARMMParameters self) -> std::string"""
12278  return _IMP_atom.CHARMMParameters___repr__(self)
12279 
12280 
12281  @staticmethod
12282  def get_from(o):
12283  return _object_cast_to_CHARMMParameters(o)
12284 
12285 CHARMMParameters_swigregister = _IMP_atom.CHARMMParameters_swigregister
12286 CHARMMParameters_swigregister(CHARMMParameters)
12287 
12288 
12290  """get_heavy_atom_CHARMM_parameters() -> CHARMMParameters"""
12291  return _IMP_atom.get_heavy_atom_CHARMM_parameters()
12292 
12294  """get_all_atom_CHARMM_parameters() -> CHARMMParameters"""
12295  return _IMP_atom.get_all_atom_CHARMM_parameters()
12296 class CHARMMSegmentTopology(IMP.Object):
12297  """Proxy of C++ IMP::atom::CHARMMSegmentTopology class"""
12298  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12299 
12300  def remove_residue(self, d):
12301  """remove_residue(CHARMMSegmentTopology self, CHARMMResidueTopology d)"""
12302  return _IMP_atom.CHARMMSegmentTopology_remove_residue(self, d)
12303 
12304 
12305  def remove_residues(self, d):
12306  """remove_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & d)"""
12307  return _IMP_atom.CHARMMSegmentTopology_remove_residues(self, d)
12308 
12309 
12310  def set_residues(self, ps):
12311  """set_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & ps)"""
12312  return _IMP_atom.CHARMMSegmentTopology_set_residues(self, ps)
12313 
12314 
12315  def set_residues_order(self, objs):
12316  """set_residues_order(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
12317  return _IMP_atom.CHARMMSegmentTopology_set_residues_order(self, objs)
12318 
12319 
12320  def add_residue(self, obj):
12321  """add_residue(CHARMMSegmentTopology self, CHARMMResidueTopology obj) -> unsigned int"""
12322  return _IMP_atom.CHARMMSegmentTopology_add_residue(self, obj)
12323 
12324 
12325  def add_residues(self, objs):
12326  """add_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
12327  return _IMP_atom.CHARMMSegmentTopology_add_residues(self, objs)
12328 
12329 
12330  def clear_residues(self):
12331  """clear_residues(CHARMMSegmentTopology self)"""
12332  return _IMP_atom.CHARMMSegmentTopology_clear_residues(self)
12333 
12334 
12335  def get_number_of_residues(self):
12336  """get_number_of_residues(CHARMMSegmentTopology self) -> unsigned int"""
12337  return _IMP_atom.CHARMMSegmentTopology_get_number_of_residues(self)
12338 
12339 
12340  def get_has_residues(self):
12341  """get_has_residues(CHARMMSegmentTopology self) -> bool"""
12342  return _IMP_atom.CHARMMSegmentTopology_get_has_residues(self)
12343 
12344 
12345  def get_residue(self, i):
12346  """get_residue(CHARMMSegmentTopology self, unsigned int i) -> CHARMMResidueTopology"""
12347  return _IMP_atom.CHARMMSegmentTopology_get_residue(self, i)
12348 
12349 
12350  def get_residues(self):
12351  """get_residues(CHARMMSegmentTopology self) -> IMP::atom::CHARMMResidueTopologies"""
12352  return _IMP_atom.CHARMMSegmentTopology_get_residues(self)
12353 
12354 
12355  def reserve_residues(self, sz):
12356  """reserve_residues(CHARMMSegmentTopology self, unsigned int sz)"""
12357  return _IMP_atom.CHARMMSegmentTopology_reserve_residues(self, sz)
12358 
12359 
12360  def get_version_info(self):
12361  """get_version_info(CHARMMSegmentTopology self) -> VersionInfo"""
12362  return _IMP_atom.CHARMMSegmentTopology_get_version_info(self)
12363 
12364 
12365  def __init__(self, *args):
12366  """
12367  __init__(IMP::atom::CHARMMSegmentTopology self, std::string name) -> CHARMMSegmentTopology
12368  __init__(IMP::atom::CHARMMSegmentTopology self) -> CHARMMSegmentTopology
12369  """
12370  this = _IMP_atom.new_CHARMMSegmentTopology(*args)
12371  try:
12372  self.this.append(this)
12373  except:
12374  self.this = this
12375 
12376  def apply_default_patches(self, ff):
12377  """apply_default_patches(CHARMMSegmentTopology self, CHARMMParameters ff)"""
12378  return _IMP_atom.CHARMMSegmentTopology_apply_default_patches(self, ff)
12379 
12380 
12381  def __str__(self):
12382  """__str__(CHARMMSegmentTopology self) -> std::string"""
12383  return _IMP_atom.CHARMMSegmentTopology___str__(self)
12384 
12385 
12386  def __repr__(self):
12387  """__repr__(CHARMMSegmentTopology self) -> std::string"""
12388  return _IMP_atom.CHARMMSegmentTopology___repr__(self)
12389 
12390 
12391  @staticmethod
12392  def get_from(o):
12393  return _object_cast_to_CHARMMSegmentTopology(o)
12394 
12395 CHARMMSegmentTopology_swigregister = _IMP_atom.CHARMMSegmentTopology_swigregister
12396 CHARMMSegmentTopology_swigregister(CHARMMSegmentTopology)
12397 
12398 class CHARMMTopology(IMP.Object):
12399  """Proxy of C++ IMP::atom::CHARMMTopology class"""
12400  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12401 
12402  def __init__(self, *args):
12403  """
12404  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field, std::string name) -> CHARMMTopology
12405  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field) -> CHARMMTopology
12406  """
12407  this = _IMP_atom.new_CHARMMTopology(*args)
12408  try:
12409  self.this.append(this)
12410  except:
12411  self.this = this
12412 
12413  def get_parameters(self):
12414  """get_parameters(CHARMMTopology self) -> CHARMMParameters"""
12415  return _IMP_atom.CHARMMTopology_get_parameters(self)
12416 
12417 
12418  def add_sequence(self, sequence):
12419  """add_sequence(CHARMMTopology self, std::string sequence)"""
12420  return _IMP_atom.CHARMMTopology_add_sequence(self, sequence)
12421 
12422 
12423  def apply_default_patches(self):
12424  """apply_default_patches(CHARMMTopology self)"""
12425  return _IMP_atom.CHARMMTopology_apply_default_patches(self)
12426 
12427 
12428  def create_hierarchy(self, model):
12429  """create_hierarchy(CHARMMTopology self, Model model) -> Hierarchy"""
12430  return _IMP_atom.CHARMMTopology_create_hierarchy(self, model)
12431 
12432 
12433  def add_atom_types(self, hierarchy):
12434  """add_atom_types(CHARMMTopology self, Hierarchy hierarchy)"""
12435  return _IMP_atom.CHARMMTopology_add_atom_types(self, hierarchy)
12436 
12437 
12438  def add_coordinates(self, hierarchy):
12439  """add_coordinates(CHARMMTopology self, Hierarchy hierarchy)"""
12440  return _IMP_atom.CHARMMTopology_add_coordinates(self, hierarchy)
12441 
12442 
12443  def add_missing_atoms(self, hierarchy):
12444  """add_missing_atoms(CHARMMTopology self, Hierarchy hierarchy)"""
12445  return _IMP_atom.CHARMMTopology_add_missing_atoms(self, hierarchy)
12446 
12447 
12448  def setup_hierarchy(self, hierarchy):
12449  """setup_hierarchy(CHARMMTopology self, Hierarchy hierarchy)"""
12450  return _IMP_atom.CHARMMTopology_setup_hierarchy(self, hierarchy)
12451 
12452 
12453  def add_charges(self, hierarchy):
12454  """add_charges(CHARMMTopology self, Hierarchy hierarchy)"""
12455  return _IMP_atom.CHARMMTopology_add_charges(self, hierarchy)
12456 
12457 
12458  def add_bonds(self, hierarchy):
12459  """add_bonds(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12460  return _IMP_atom.CHARMMTopology_add_bonds(self, hierarchy)
12461 
12462 
12463  def add_dihedrals(self, hierarchy):
12464  """add_dihedrals(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12465  return _IMP_atom.CHARMMTopology_add_dihedrals(self, hierarchy)
12466 
12467 
12468  def add_impropers(self, hierarchy):
12469  """add_impropers(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12470  return _IMP_atom.CHARMMTopology_add_impropers(self, hierarchy)
12471 
12472 
12473  def remove_segment(self, d):
12474  """remove_segment(CHARMMTopology self, CHARMMSegmentTopology d)"""
12475  return _IMP_atom.CHARMMTopology_remove_segment(self, d)
12476 
12477 
12478  def remove_segments(self, d):
12479  """remove_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & d)"""
12480  return _IMP_atom.CHARMMTopology_remove_segments(self, d)
12481 
12482 
12483  def set_segments(self, ps):
12484  """set_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & ps)"""
12485  return _IMP_atom.CHARMMTopology_set_segments(self, ps)
12486 
12487 
12488  def set_segments_order(self, objs):
12489  """set_segments_order(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
12490  return _IMP_atom.CHARMMTopology_set_segments_order(self, objs)
12491 
12492 
12493  def add_segment(self, obj):
12494  """add_segment(CHARMMTopology self, CHARMMSegmentTopology obj) -> unsigned int"""
12495  return _IMP_atom.CHARMMTopology_add_segment(self, obj)
12496 
12497 
12498  def add_segments(self, objs):
12499  """add_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
12500  return _IMP_atom.CHARMMTopology_add_segments(self, objs)
12501 
12502 
12503  def clear_segments(self):
12504  """clear_segments(CHARMMTopology self)"""
12505  return _IMP_atom.CHARMMTopology_clear_segments(self)
12506 
12507 
12508  def get_number_of_segments(self):
12509  """get_number_of_segments(CHARMMTopology self) -> unsigned int"""
12510  return _IMP_atom.CHARMMTopology_get_number_of_segments(self)
12511 
12512 
12513  def get_has_segments(self):
12514  """get_has_segments(CHARMMTopology self) -> bool"""
12515  return _IMP_atom.CHARMMTopology_get_has_segments(self)
12516 
12517 
12518  def get_segment(self, i):
12519  """get_segment(CHARMMTopology self, unsigned int i) -> CHARMMSegmentTopology"""
12520  return _IMP_atom.CHARMMTopology_get_segment(self, i)
12521 
12522 
12523  def get_segments(self):
12524  """get_segments(CHARMMTopology self) -> IMP::atom::CHARMMSegmentTopologies"""
12525  return _IMP_atom.CHARMMTopology_get_segments(self)
12526 
12527 
12528  def reserve_segments(self, sz):
12529  """reserve_segments(CHARMMTopology self, unsigned int sz)"""
12530  return _IMP_atom.CHARMMTopology_reserve_segments(self, sz)
12531 
12532 
12533  def get_version_info(self):
12534  """get_version_info(CHARMMTopology self) -> VersionInfo"""
12535  return _IMP_atom.CHARMMTopology_get_version_info(self)
12536 
12537 
12538  def __str__(self):
12539  """__str__(CHARMMTopology self) -> std::string"""
12540  return _IMP_atom.CHARMMTopology___str__(self)
12541 
12542 
12543  def __repr__(self):
12544  """__repr__(CHARMMTopology self) -> std::string"""
12545  return _IMP_atom.CHARMMTopology___repr__(self)
12546 
12547 
12548  @staticmethod
12549  def get_from(o):
12550  return _object_cast_to_CHARMMTopology(o)
12551 
12552 CHARMMTopology_swigregister = _IMP_atom.CHARMMTopology_swigregister
12553 CHARMMTopology_swigregister(CHARMMTopology)
12554 
12555 class CHARMMStereochemistryRestraint(IMP.Restraint):
12556  """Proxy of C++ IMP::atom::CHARMMStereochemistryRestraint class"""
12557  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12558 
12559  def __init__(self, *args):
12560  """
12561  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology) -> CHARMMStereochemistryRestraint
12562  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology, IMP::ParticlesTemp limit_to_these_particles) -> CHARMMStereochemistryRestraint
12563  """
12564  this = _IMP_atom.new_CHARMMStereochemistryRestraint(*args)
12565  try:
12566  self.this.append(this)
12567  except:
12568  self.this = this
12569 
12570  def get_pair_filter(self):
12571  """get_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
12572  return _IMP_atom.CHARMMStereochemistryRestraint_get_pair_filter(self)
12573 
12574 
12575  def get_full_pair_filter(self):
12576  """get_full_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
12577  return _IMP_atom.CHARMMStereochemistryRestraint_get_full_pair_filter(self)
12578 
12579 
12580  def do_get_inputs(self):
12581  """do_get_inputs(CHARMMStereochemistryRestraint self) -> IMP::ModelObjectsTemp"""
12582  return _IMP_atom.CHARMMStereochemistryRestraint_do_get_inputs(self)
12583 
12584 
12585  def get_version_info(self):
12586  """get_version_info(CHARMMStereochemistryRestraint self) -> VersionInfo"""
12587  return _IMP_atom.CHARMMStereochemistryRestraint_get_version_info(self)
12588 
12589 
12590  def __str__(self):
12591  """__str__(CHARMMStereochemistryRestraint self) -> std::string"""
12592  return _IMP_atom.CHARMMStereochemistryRestraint___str__(self)
12593 
12594 
12595  def __repr__(self):
12596  """__repr__(CHARMMStereochemistryRestraint self) -> std::string"""
12597  return _IMP_atom.CHARMMStereochemistryRestraint___repr__(self)
12598 
12599 
12600  @staticmethod
12601  def get_from(o):
12602  return _object_cast_to_CHARMMStereochemistryRestraint(o)
12603 
12604 CHARMMStereochemistryRestraint_swigregister = _IMP_atom.CHARMMStereochemistryRestraint_swigregister
12605 CHARMMStereochemistryRestraint_swigregister(CHARMMStereochemistryRestraint)
12606 
12607 
12608 def add_bonds(*args):
12609  """
12610  add_bonds(Hierarchy d, ForceFieldParameters ffp)
12611  add_bonds(Hierarchy d)
12612  """
12613  return _IMP_atom.add_bonds(*args)
12614 
12615 def add_radii(*args):
12616  """
12617  add_radii(Hierarchy d, ForceFieldParameters ffp, FloatKey radius_key)
12618  add_radii(Hierarchy d, ForceFieldParameters ffp)
12619  add_radii(Hierarchy d)
12620  """
12621  return _IMP_atom.add_radii(*args)
12622 
12623 _IMP_atom.ALBER_swigconstant(_IMP_atom)
12624 ALBER = _IMP_atom.ALBER
12625 
12626 _IMP_atom.HARPAZ_swigconstant(_IMP_atom)
12627 HARPAZ = _IMP_atom.HARPAZ
12628 
12629 _IMP_atom.ANDERSSON_swigconstant(_IMP_atom)
12630 ANDERSSON = _IMP_atom.ANDERSSON
12631 
12632 _IMP_atom.TSAI_swigconstant(_IMP_atom)
12633 TSAI = _IMP_atom.TSAI
12634 
12635 _IMP_atom.QUILLIN_swigconstant(_IMP_atom)
12636 QUILLIN = _IMP_atom.QUILLIN
12637 
12638 _IMP_atom.SQUIRE_swigconstant(_IMP_atom)
12639 SQUIRE = _IMP_atom.SQUIRE
12640 
12641 def get_protein_density_from_reference(densityReference):
12642  """get_protein_density_from_reference(IMP::atom::ProteinDensityReference densityReference) -> double"""
12643  return _IMP_atom.get_protein_density_from_reference(densityReference)
12644 
12645 def get_volume_from_mass(*args):
12646  """
12647  get_volume_from_mass(double m, IMP::atom::ProteinDensityReference ref) -> double
12648  get_volume_from_mass(double m) -> double
12649  """
12650  return _IMP_atom.get_volume_from_mass(*args)
12651 
12652 def get_mass_from_volume(*args):
12653  """
12654  get_mass_from_volume(double v, IMP::atom::ProteinDensityReference ref) -> double
12655  get_mass_from_volume(double v) -> double
12656  """
12657  return _IMP_atom.get_mass_from_volume(*args)
12658 
12660  """get_mass_from_number_of_residues(unsigned int num_aa) -> double"""
12661  return _IMP_atom.get_mass_from_number_of_residues(num_aa)
12662 
12664  """get_volume_from_residue_type(ResidueType rt) -> double"""
12665  return _IMP_atom.get_volume_from_residue_type(rt)
12666 
12667 def get_molarity(n, volume):
12668  """get_molarity(double n, double volume) -> double"""
12669  return _IMP_atom.get_molarity(n, volume)
12670 
12671 def get_kd(na, nb, nab, volume):
12672  """get_kd(double na, double nb, double nab, double volume) -> double"""
12673  return _IMP_atom.get_kd(na, nb, nab, volume)
12674 
12675 def get_einstein_diffusion_coefficient(r, temp=-1):
12676  """
12677  get_einstein_diffusion_coefficient(double r, double temp=-1) -> double
12678  get_einstein_diffusion_coefficient(double r) -> double
12679  """
12680  return _IMP_atom.get_einstein_diffusion_coefficient(r, temp)
12681 
12683  """
12684  get_einstein_rotational_diffusion_coefficient(double r, double temp=-1) -> double
12685  get_einstein_rotational_diffusion_coefficient(double r) -> double
12686  """
12687  return _IMP_atom.get_einstein_rotational_diffusion_coefficient(r, temp)
12688 
12689 def get_diffusion_length(*args):
12690  """
12691  get_diffusion_length(double D, double t) -> double
12692  get_diffusion_length(double D, double force, double t, double temp=-1) -> double
12693  get_diffusion_length(double D, double force, double t) -> double
12694  """
12695  return _IMP_atom.get_diffusion_length(*args)
12696 
12697 def get_diffusion_angle(D, dtfs):
12698  """get_diffusion_angle(double D, double dtfs) -> double"""
12699  return _IMP_atom.get_diffusion_angle(D, dtfs)
12700 
12701 def get_diffusion_coefficient(*args):
12702  """
12703  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, double dt) -> double
12704  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, IMP::Floats const & dts) -> double
12705  """
12706  return _IMP_atom.get_diffusion_coefficient(*args)
12707 
12708 def get_rotational_diffusion_coefficient(orientations, dt):
12709  """get_rotational_diffusion_coefficient(IMP::algebra::Rotation3Ds const & orientations, double dt) -> double"""
12710  return _IMP_atom.get_rotational_diffusion_coefficient(orientations, dt)
12711 
12712 def get_energy_in_femto_joules(energy_in_kcal_per_mol):
12713  """get_energy_in_femto_joules(double energy_in_kcal_per_mol) -> double"""
12714  return _IMP_atom.get_energy_in_femto_joules(energy_in_kcal_per_mol)
12715 
12716 def get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom):
12717  """get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom) -> double"""
12718  return _IMP_atom.get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom)
12719 
12720 def get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square):
12721  """get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square) -> double"""
12722  return _IMP_atom.get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square)
12723 class EzRestraint(IMP.Restraint):
12724  """Proxy of C++ IMP::atom::EzRestraint class"""
12725  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12726 
12727  def __init__(self, m, ps):
12728  """__init__(IMP::atom::EzRestraint self, Model m, _ParticleIndexesAdaptor ps) -> EzRestraint"""
12729  this = _IMP_atom.new_EzRestraint(m, ps)
12730  try:
12731  self.this.append(this)
12732  except:
12733  self.this = this
12734 
12735  def get_version_info(self):
12736  """get_version_info(EzRestraint self) -> VersionInfo"""
12737  return _IMP_atom.EzRestraint_get_version_info(self)
12738 
12739 
12740  def __str__(self):
12741  """__str__(EzRestraint self) -> std::string"""
12742  return _IMP_atom.EzRestraint___str__(self)
12743 
12744 
12745  def __repr__(self):
12746  """__repr__(EzRestraint self) -> std::string"""
12747  return _IMP_atom.EzRestraint___repr__(self)
12748 
12749 
12750  @staticmethod
12751  def get_from(o):
12752  return _object_cast_to_EzRestraint(o)
12753 
12754 EzRestraint_swigregister = _IMP_atom.EzRestraint_swigregister
12755 EzRestraint_swigregister(EzRestraint)
12756 
12757 
12758 def create_protein(*args):
12759  """
12760  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
12761  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1) -> Hierarchy
12762  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0) -> Hierarchy
12763  create_protein(Model m, std::string name, double target_radius, int number_of_residues) -> Hierarchy
12764  create_protein(Model m, std::string name, double target_radius, IMP::Ints const domain_boundaries) -> Hierarchy
12765  """
12766  return _IMP_atom.create_protein(*args)
12767 
12769  """
12770  create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=False) -> Hierarchy
12771  create_simplified_along_backbone(Hierarchy input, int num_res) -> Hierarchy
12772  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments, bool keep_detailed=False) -> Hierarchy
12773  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments) -> Hierarchy
12774  """
12775  return _IMP_atom.create_simplified_along_backbone(*args)
12776 
12777 def create_simplified_from_volume(h, resolution):
12778  """create_simplified_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12779  return _IMP_atom.create_simplified_from_volume(h, resolution)
12780 
12781 def create_simplified_assembly_from_volume(h, resolution):
12782  """create_simplified_assembly_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12783  return _IMP_atom.create_simplified_assembly_from_volume(h, resolution)
12784 
12785 def get_residue_indexes(h):
12786  """get_residue_indexes(Hierarchy h) -> IMP::Ints"""
12787  return _IMP_atom.get_residue_indexes(h)
12788 
12789 def get_residue_type(*args):
12790  """
12791  get_residue_type(char c) -> ResidueType
12792  get_residue_type(Hierarchy h) -> ResidueType
12793  """
12794  return _IMP_atom.get_residue_type(*args)
12795 
12796 def get_atom_type(h):
12797  """get_atom_type(Hierarchy h) -> AtomType"""
12798  return _IMP_atom.get_atom_type(h)
12799 
12800 def get_domain_name(h):
12801  """get_domain_name(Hierarchy h) -> std::string"""
12802  return _IMP_atom.get_domain_name(h)
12803 
12805  """
12806  create_excluded_volume_restraint(IMP::atom::Selections const & s) -> Restraint
12807  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs, double resolution=-1) -> Restraint
12808  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs) -> Restraint
12809  """
12810  return _IMP_atom.create_excluded_volume_restraint(*args)
12811 
12812 def setup_as_approximation(*args):
12813  """
12814  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other, double resolution=-1)
12815  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other)
12816  setup_as_approximation(Hierarchy h, double resolution=-1)
12817  setup_as_approximation(Hierarchy h)
12818  """
12819  return _IMP_atom.setup_as_approximation(*args)
12820 class _HierarchyTreeVertexIndex(object):
12821  """Proxy of C++ IMP::atom::HierarchyTreeVertexIndex class"""
12822  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12823  __repr__ = _swig_repr
12824 
12825  def __init__(self):
12826  """__init__(IMP::atom::HierarchyTreeVertexIndex self) -> _HierarchyTreeVertexIndex"""
12827  this = _IMP_atom.new__HierarchyTreeVertexIndex()
12828  try:
12829  self.this.append(this)
12830  except:
12831  self.this = this
12832  __swig_destroy__ = _IMP_atom.delete__HierarchyTreeVertexIndex
12833  __del__ = lambda self: None
12834 _HierarchyTreeVertexIndex_swigregister = _IMP_atom._HierarchyTreeVertexIndex_swigregister
12835 _HierarchyTreeVertexIndex_swigregister(_HierarchyTreeVertexIndex)
12836 
12837 
12838 def show_as_graphviz(name, out):
12839  """show_as_graphviz(IMP::atom::HierarchyTree const & name, TextOutput out)"""
12840  return _IMP_atom.show_as_graphviz(name, out)
12841 
12842 def get_vertex_index(g):
12843  """get_vertex_index(IMP::atom::HierarchyTree const & g) -> _HierarchyTreeVertexIndex"""
12844  return _IMP_atom.get_vertex_index(g)
12845 
12846 def get_hierarchy_tree(h):
12847  """get_hierarchy_tree(Hierarchy h) -> IMP::atom::HierarchyTree"""
12848  return _IMP_atom.get_hierarchy_tree(h)
12849 class HierarchyGeometry(IMP.display.SingletonGeometry):
12850  """Proxy of C++ IMP::atom::HierarchyGeometry class"""
12851  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12852 
12853  def __init__(self, d, resolution=0):
12854  """
12855  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d, double resolution=0) -> HierarchyGeometry
12856  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d) -> HierarchyGeometry
12857  """
12858  this = _IMP_atom.new_HierarchyGeometry(d, resolution)
12859  try:
12860  self.this.append(this)
12861  except:
12862  self.this = this
12863 
12864  def get_version_info(self):
12865  """get_version_info(HierarchyGeometry self) -> VersionInfo"""
12866  return _IMP_atom.HierarchyGeometry_get_version_info(self)
12867 
12868 
12869  def __str__(self):
12870  """__str__(HierarchyGeometry self) -> std::string"""
12871  return _IMP_atom.HierarchyGeometry___str__(self)
12872 
12873 
12874  def __repr__(self):
12875  """__repr__(HierarchyGeometry self) -> std::string"""
12876  return _IMP_atom.HierarchyGeometry___repr__(self)
12877 
12878 
12879  @staticmethod
12880  def get_from(o):
12881  return _object_cast_to_HierarchyGeometry(o)
12882 
12883 HierarchyGeometry_swigregister = _IMP_atom.HierarchyGeometry_swigregister
12884 HierarchyGeometry_swigregister(HierarchyGeometry)
12885 
12886 class HierarchiesGeometry(IMP.display.SingletonsGeometry):
12887  """Proxy of C++ IMP::atom::HierarchiesGeometry class"""
12888  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12889 
12890  def __init__(self, sc, resolution=-1):
12891  """
12892  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc, double resolution=-1) -> HierarchiesGeometry
12893  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc) -> HierarchiesGeometry
12894  """
12895  this = _IMP_atom.new_HierarchiesGeometry(sc, resolution)
12896  try:
12897  self.this.append(this)
12898  except:
12899  self.this = this
12900 
12901  def get_version_info(self):
12902  """get_version_info(HierarchiesGeometry self) -> VersionInfo"""
12903  return _IMP_atom.HierarchiesGeometry_get_version_info(self)
12904 
12905 
12906  def __str__(self):
12907  """__str__(HierarchiesGeometry self) -> std::string"""
12908  return _IMP_atom.HierarchiesGeometry___str__(self)
12909 
12910 
12911  def __repr__(self):
12912  """__repr__(HierarchiesGeometry self) -> std::string"""
12913  return _IMP_atom.HierarchiesGeometry___repr__(self)
12914 
12915 
12916  @staticmethod
12917  def get_from(o):
12918  return _object_cast_to_HierarchiesGeometry(o)
12919 
12920 HierarchiesGeometry_swigregister = _IMP_atom.HierarchiesGeometry_swigregister
12921 HierarchiesGeometry_swigregister(HierarchiesGeometry)
12922 
12923 
12924 def transform(*args):
12925  """
12926  transform(Hierarchy h, Transformation3D tr)
12927  transform(Hierarchy h, Transformation3D tr)
12928  """
12929  return _IMP_atom.transform(*args)
12930 class DopePairScore(_ADopeBase):
12931  """Proxy of C++ IMP::atom::DopePairScore class"""
12932  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12933 
12934  def __init__(self, *args):
12935  """
12936  __init__(IMP::atom::DopePairScore self, double threshold) -> DopePairScore
12937  __init__(IMP::atom::DopePairScore self) -> DopePairScore
12938  __init__(IMP::atom::DopePairScore self, double threshold, TextInput data_file) -> DopePairScore
12939  """
12940  this = _IMP_atom.new_DopePairScore(*args)
12941  try:
12942  self.this.append(this)
12943  except:
12944  self.this = this
12945 
12946  def __str__(self):
12947  """__str__(DopePairScore self) -> std::string"""
12948  return _IMP_atom.DopePairScore___str__(self)
12949 
12950 
12951  def __repr__(self):
12952  """__repr__(DopePairScore self) -> std::string"""
12953  return _IMP_atom.DopePairScore___repr__(self)
12954 
12955 
12956  @staticmethod
12957  def get_from(o):
12958  return _object_cast_to_DopePairScore(o)
12959 
12960  __swig_destroy__ = _IMP_atom.delete_DopePairScore
12961  __del__ = lambda self: None
12962 DopePairScore_swigregister = _IMP_atom.DopePairScore_swigregister
12963 DopePairScore_swigregister(DopePairScore)
12964 
12965 
12966 def add_dope_score_data(h):
12967  """add_dope_score_data(Hierarchy h)"""
12968  return _IMP_atom.add_dope_score_data(h)
12969 class LoopStatisticalPairScore(_ALoopStatisticalBase):
12970  """Proxy of C++ IMP::atom::LoopStatisticalPairScore class"""
12971  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12972 
12973  def __init__(self, *args):
12974  """
12975  __init__(IMP::atom::LoopStatisticalPairScore self, double threshold) -> LoopStatisticalPairScore
12976  __init__(IMP::atom::LoopStatisticalPairScore self) -> LoopStatisticalPairScore
12977  __init__(IMP::atom::LoopStatisticalPairScore self, double threshold, TextInput data_file) -> LoopStatisticalPairScore
12978  """
12979  this = _IMP_atom.new_LoopStatisticalPairScore(*args)
12980  try:
12981  self.this.append(this)
12982  except:
12983  self.this = this
12984 
12985  def __str__(self):
12986  """__str__(LoopStatisticalPairScore self) -> std::string"""
12987  return _IMP_atom.LoopStatisticalPairScore___str__(self)
12988 
12989 
12990  def __repr__(self):
12991  """__repr__(LoopStatisticalPairScore self) -> std::string"""
12992  return _IMP_atom.LoopStatisticalPairScore___repr__(self)
12993 
12994 
12995  @staticmethod
12996  def get_from(o):
12997  return _object_cast_to_LoopStatisticalPairScore(o)
12998 
12999  __swig_destroy__ = _IMP_atom.delete_LoopStatisticalPairScore
13000  __del__ = lambda self: None
13001 LoopStatisticalPairScore_swigregister = _IMP_atom.LoopStatisticalPairScore_swigregister
13002 LoopStatisticalPairScore_swigregister(LoopStatisticalPairScore)
13003 
13004 
13006  """add_loop_statistical_score_data(Hierarchy h)"""
13007  return _IMP_atom.add_loop_statistical_score_data(h)
13008 class OrientedSoapPairScore(_OrientedSoapBase):
13009  """Proxy of C++ IMP::atom::OrientedSoapPairScore class"""
13010  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13011 
13012  def __init__(self, library):
13013  """__init__(IMP::atom::OrientedSoapPairScore self, std::string library) -> OrientedSoapPairScore"""
13014  this = _IMP_atom.new_OrientedSoapPairScore(library)
13015  try:
13016  self.this.append(this)
13017  except:
13018  self.this = this
13019 
13020  def get_pair_filter(self):
13021  """get_pair_filter(OrientedSoapPairScore self) -> SoapPairFilter"""
13022  return _IMP_atom.OrientedSoapPairScore_get_pair_filter(self)
13023 
13024 
13025  def __str__(self):
13026  """__str__(OrientedSoapPairScore self) -> std::string"""
13027  return _IMP_atom.OrientedSoapPairScore___str__(self)
13028 
13029 
13030  def __repr__(self):
13031  """__repr__(OrientedSoapPairScore self) -> std::string"""
13032  return _IMP_atom.OrientedSoapPairScore___repr__(self)
13033 
13034 
13035  @staticmethod
13036  def get_from(o):
13037  return _object_cast_to_OrientedSoapPairScore(o)
13038 
13039  __swig_destroy__ = _IMP_atom.delete_OrientedSoapPairScore
13040  __del__ = lambda self: None
13041 OrientedSoapPairScore_swigregister = _IMP_atom.OrientedSoapPairScore_swigregister
13042 OrientedSoapPairScore_swigregister(OrientedSoapPairScore)
13043 
13044 class SameResiduePairFilter(IMP.PairPredicate):
13045  """Proxy of C++ IMP::atom::SameResiduePairFilter class"""
13046  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13047 
13048  def __init__(self):
13049  """__init__(IMP::atom::SameResiduePairFilter self) -> SameResiduePairFilter"""
13050  this = _IMP_atom.new_SameResiduePairFilter()
13051  try:
13052  self.this.append(this)
13053  except:
13054  self.this = this
13055 
13056  def do_get_inputs(self, m, pis):
13057  """do_get_inputs(SameResiduePairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13058  return _IMP_atom.SameResiduePairFilter_do_get_inputs(self, m, pis)
13059 
13060 
13061  def get_value(self, *args):
13062  """
13063  get_value(SameResiduePairFilter self, IMP::ParticlePair const & a) -> int
13064  get_value(SameResiduePairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13065  """
13066  return _IMP_atom.SameResiduePairFilter_get_value(self, *args)
13067 
13068 
13069  def get_value_index(self, *args):
13070  """
13071  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
13072  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13073  """
13074  return _IMP_atom.SameResiduePairFilter_get_value_index(self, *args)
13075 
13076 
13077  def get_version_info(self):
13078  """get_version_info(SameResiduePairFilter self) -> VersionInfo"""
13079  return _IMP_atom.SameResiduePairFilter_get_version_info(self)
13080 
13081 
13082  def __str__(self):
13083  """__str__(SameResiduePairFilter self) -> std::string"""
13084  return _IMP_atom.SameResiduePairFilter___str__(self)
13085 
13086 
13087  def __repr__(self):
13088  """__repr__(SameResiduePairFilter self) -> std::string"""
13089  return _IMP_atom.SameResiduePairFilter___repr__(self)
13090 
13091 
13092  @staticmethod
13093  def get_from(o):
13094  return _object_cast_to_SameResiduePairFilter(o)
13095 
13096 SameResiduePairFilter_swigregister = _IMP_atom.SameResiduePairFilter_swigregister
13097 SameResiduePairFilter_swigregister(SameResiduePairFilter)
13098 
13099 class RemoveRigidMotionOptimizerState(IMP.OptimizerState):
13100  """Proxy of C++ IMP::atom::RemoveRigidMotionOptimizerState class"""
13101  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13102 
13103  def __init__(self, m, pis):
13104  """__init__(IMP::atom::RemoveRigidMotionOptimizerState self, Model m, _ParticleIndexesAdaptor pis) -> RemoveRigidMotionOptimizerState"""
13105  this = _IMP_atom.new_RemoveRigidMotionOptimizerState(m, pis)
13106  try:
13107  self.this.append(this)
13108  except:
13109  self.this = this
13110 
13111  def set_particles(self, pis):
13112  """set_particles(RemoveRigidMotionOptimizerState self, IMP::Particles const & pis)"""
13113  return _IMP_atom.RemoveRigidMotionOptimizerState_set_particles(self, pis)
13114 
13115 
13116  def remove_rigid_motion(self):
13117  """remove_rigid_motion(RemoveRigidMotionOptimizerState self)"""
13118  return _IMP_atom.RemoveRigidMotionOptimizerState_remove_rigid_motion(self)
13119 
13120 
13121  def get_version_info(self):
13122  """get_version_info(RemoveRigidMotionOptimizerState self) -> VersionInfo"""
13123  return _IMP_atom.RemoveRigidMotionOptimizerState_get_version_info(self)
13124 
13125 
13126  def __str__(self):
13127  """__str__(RemoveRigidMotionOptimizerState self) -> std::string"""
13128  return _IMP_atom.RemoveRigidMotionOptimizerState___str__(self)
13129 
13130 
13131  def __repr__(self):
13132  """__repr__(RemoveRigidMotionOptimizerState self) -> std::string"""
13133  return _IMP_atom.RemoveRigidMotionOptimizerState___repr__(self)
13134 
13135 
13136  @staticmethod
13137  def get_from(o):
13138  return _object_cast_to_RemoveRigidMotionOptimizerState(o)
13139 
13140 RemoveRigidMotionOptimizerState_swigregister = _IMP_atom.RemoveRigidMotionOptimizerState_swigregister
13141 RemoveRigidMotionOptimizerState_swigregister(RemoveRigidMotionOptimizerState)
13142 
13143 class BerendsenThermostatOptimizerState(IMP.OptimizerState):
13144  """Proxy of C++ IMP::atom::BerendsenThermostatOptimizerState class"""
13145  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13146 
13147  def __init__(self, pis, temperature, tau):
13148  """__init__(IMP::atom::BerendsenThermostatOptimizerState self, IMP::Particles const & pis, double temperature, double tau) -> BerendsenThermostatOptimizerState"""
13149  this = _IMP_atom.new_BerendsenThermostatOptimizerState(pis, temperature, tau)
13150  try:
13151  self.this.append(this)
13152  except:
13153  self.this = this
13154 
13155  def set_particles(self, pis):
13156  """set_particles(BerendsenThermostatOptimizerState self, IMP::Particles const & pis)"""
13157  return _IMP_atom.BerendsenThermostatOptimizerState_set_particles(self, pis)
13158 
13159 
13160  def get_temperature(self):
13161  """get_temperature(BerendsenThermostatOptimizerState self) -> double"""
13162  return _IMP_atom.BerendsenThermostatOptimizerState_get_temperature(self)
13163 
13164 
13165  def get_tau(self):
13166  """get_tau(BerendsenThermostatOptimizerState self) -> double"""
13167  return _IMP_atom.BerendsenThermostatOptimizerState_get_tau(self)
13168 
13169 
13170  def set_temperature(self, temperature):
13171  """set_temperature(BerendsenThermostatOptimizerState self, double temperature)"""
13172  return _IMP_atom.BerendsenThermostatOptimizerState_set_temperature(self, temperature)
13173 
13174 
13175  def set_tau(self, tau):
13176  """set_tau(BerendsenThermostatOptimizerState self, double tau)"""
13177  return _IMP_atom.BerendsenThermostatOptimizerState_set_tau(self, tau)
13178 
13179 
13180  def rescale_velocities(self):
13181  """rescale_velocities(BerendsenThermostatOptimizerState self)"""
13182  return _IMP_atom.BerendsenThermostatOptimizerState_rescale_velocities(self)
13183 
13184 
13185  def get_version_info(self):
13186  """get_version_info(BerendsenThermostatOptimizerState self) -> VersionInfo"""
13187  return _IMP_atom.BerendsenThermostatOptimizerState_get_version_info(self)
13188 
13189 
13190  def __str__(self):
13191  """__str__(BerendsenThermostatOptimizerState self) -> std::string"""
13192  return _IMP_atom.BerendsenThermostatOptimizerState___str__(self)
13193 
13194 
13195  def __repr__(self):
13196  """__repr__(BerendsenThermostatOptimizerState self) -> std::string"""
13197  return _IMP_atom.BerendsenThermostatOptimizerState___repr__(self)
13198 
13199 
13200  @staticmethod
13201  def get_from(o):
13202  return _object_cast_to_BerendsenThermostatOptimizerState(o)
13203 
13204 BerendsenThermostatOptimizerState_swigregister = _IMP_atom.BerendsenThermostatOptimizerState_swigregister
13205 BerendsenThermostatOptimizerState_swigregister(BerendsenThermostatOptimizerState)
13206 
13207 class LangevinThermostatOptimizerState(IMP.OptimizerState):
13208  """Proxy of C++ IMP::atom::LangevinThermostatOptimizerState class"""
13209  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13210 
13211  def __init__(self, m, pis, temperature, gamma):
13212  """__init__(IMP::atom::LangevinThermostatOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature, double gamma) -> LangevinThermostatOptimizerState"""
13213  this = _IMP_atom.new_LangevinThermostatOptimizerState(m, pis, temperature, gamma)
13214  try:
13215  self.this.append(this)
13216  except:
13217  self.this = this
13218 
13219  def set_particles(self, pis):
13220  """set_particles(LangevinThermostatOptimizerState self, IMP::Particles const & pis)"""
13221  return _IMP_atom.LangevinThermostatOptimizerState_set_particles(self, pis)
13222 
13223 
13224  def get_temperature(self):
13225  """get_temperature(LangevinThermostatOptimizerState self) -> double"""
13226  return _IMP_atom.LangevinThermostatOptimizerState_get_temperature(self)
13227 
13228 
13229  def get_gamma(self):
13230  """get_gamma(LangevinThermostatOptimizerState self) -> double"""
13231  return _IMP_atom.LangevinThermostatOptimizerState_get_gamma(self)
13232 
13233 
13234  def set_temperature(self, temperature):
13235  """set_temperature(LangevinThermostatOptimizerState self, double temperature)"""
13236  return _IMP_atom.LangevinThermostatOptimizerState_set_temperature(self, temperature)
13237 
13238 
13239  def set_gamma(self, gamma):
13240  """set_gamma(LangevinThermostatOptimizerState self, double gamma)"""
13241  return _IMP_atom.LangevinThermostatOptimizerState_set_gamma(self, gamma)
13242 
13243 
13244  def rescale_velocities(self):
13245  """rescale_velocities(LangevinThermostatOptimizerState self)"""
13246  return _IMP_atom.LangevinThermostatOptimizerState_rescale_velocities(self)
13247 
13248 
13249  def get_version_info(self):
13250  """get_version_info(LangevinThermostatOptimizerState self) -> VersionInfo"""
13251  return _IMP_atom.LangevinThermostatOptimizerState_get_version_info(self)
13252 
13253 
13254  def __str__(self):
13255  """__str__(LangevinThermostatOptimizerState self) -> std::string"""
13256  return _IMP_atom.LangevinThermostatOptimizerState___str__(self)
13257 
13258 
13259  def __repr__(self):
13260  """__repr__(LangevinThermostatOptimizerState self) -> std::string"""
13261  return _IMP_atom.LangevinThermostatOptimizerState___repr__(self)
13262 
13263 
13264  @staticmethod
13265  def get_from(o):
13266  return _object_cast_to_LangevinThermostatOptimizerState(o)
13267 
13268 LangevinThermostatOptimizerState_swigregister = _IMP_atom.LangevinThermostatOptimizerState_swigregister
13269 LangevinThermostatOptimizerState_swigregister(LangevinThermostatOptimizerState)
13270 
13271 class PDBSelector(IMP.Object):
13272  """Proxy of C++ IMP::atom::PDBSelector class"""
13273  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13274 
13275  def __init__(self, name):
13276  """__init__(IMP::atom::PDBSelector self, std::string name) -> PDBSelector"""
13277  if self.__class__ == PDBSelector:
13278  _self = None
13279  else:
13280  _self = self
13281  this = _IMP_atom.new_PDBSelector(_self, name)
13282  try:
13283  self.this.append(this)
13284  except:
13285  self.this = this
13286 
13287  if self.__class__ != PDBSelector:
13288  _director_objects.register(self)
13289 
13290 
13291 
13292 
13293  def get_is_selected(self, pdb_line):
13294  """get_is_selected(PDBSelector self, std::string const & pdb_line) -> bool"""
13295  return _IMP_atom.PDBSelector_get_is_selected(self, pdb_line)
13296 
13297  __swig_destroy__ = _IMP_atom.delete_PDBSelector
13298  __del__ = lambda self: None
13299 
13300  def __str__(self):
13301  """__str__(PDBSelector self) -> std::string"""
13302  return _IMP_atom.PDBSelector___str__(self)
13303 
13304 
13305  def __repr__(self):
13306  """__repr__(PDBSelector self) -> std::string"""
13307  return _IMP_atom.PDBSelector___repr__(self)
13308 
13309 
13310  @staticmethod
13311  def get_from(o):
13312  return _object_cast_to_PDBSelector(o)
13313 
13314 
13315  def get_type_name(self):
13316  return self.__class__.__name__
13317  def do_show(self, out):
13318  pass
13319  def get_version_info(self):
13320  if"IMP::atom" == "IMP":
13321  return VersionInfo(self.__module__,
13322  __import__(self.__module__).get_module_version())
13323  else:
13324  return IMP.VersionInfo(self.__module__,
13325  __import__(self.__module__).get_module_version())
13326  @staticmethod
13327  def get_from(o):
13328  return _object_cast_to_PDBSelector(o)
13329 
13330 
13331  def __and__(self, s):
13332  return AndPDBSelector(self, s)
13333  def __or__(self, s):
13334  return OrPDBSelector(self, s)
13335  def __xor__(self, s):
13336  return XorPDBSelector(self, s)
13337  def __invert__(self):
13338  return NotPDBSelector(self)
13339  def __sub__(self, s):
13340  return AndPDBSelector(self, NotPDBSelector(s))
13341 
13342  def __disown__(self):
13343  self.this.disown()
13344  _IMP_atom.disown_PDBSelector(self)
13345  return weakref_proxy(self)
13346 
13347  def do_destroy(self):
13348  """do_destroy(PDBSelector self)"""
13349  return _IMP_atom.PDBSelector_do_destroy(self)
13350 
13351 PDBSelector_swigregister = _IMP_atom.PDBSelector_swigregister
13352 PDBSelector_swigregister(PDBSelector)
13353 
13354 class NonAlternativePDBSelector(PDBSelector):
13355  """Proxy of C++ IMP::atom::NonAlternativePDBSelector class"""
13356  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13357 
13358  def __init__(self, *args):
13359  """
13360  __init__(IMP::atom::NonAlternativePDBSelector self, std::string name) -> NonAlternativePDBSelector
13361  __init__(IMP::atom::NonAlternativePDBSelector self) -> NonAlternativePDBSelector
13362  """
13363  this = _IMP_atom.new_NonAlternativePDBSelector(*args)
13364  try:
13365  self.this.append(this)
13366  except:
13367  self.this = this
13368 
13369  def get_version_info(self):
13370  """get_version_info(NonAlternativePDBSelector self) -> VersionInfo"""
13371  return _IMP_atom.NonAlternativePDBSelector_get_version_info(self)
13372 
13373 
13374  def __str__(self):
13375  """__str__(NonAlternativePDBSelector self) -> std::string"""
13376  return _IMP_atom.NonAlternativePDBSelector___str__(self)
13377 
13378 
13379  def __repr__(self):
13380  """__repr__(NonAlternativePDBSelector self) -> std::string"""
13381  return _IMP_atom.NonAlternativePDBSelector___repr__(self)
13382 
13383 
13384  @staticmethod
13385  def get_from(o):
13386  return _object_cast_to_NonAlternativePDBSelector(o)
13387 
13388 NonAlternativePDBSelector_swigregister = _IMP_atom.NonAlternativePDBSelector_swigregister
13389 NonAlternativePDBSelector_swigregister(NonAlternativePDBSelector)
13390 
13391 class ATOMPDBSelector(NonAlternativePDBSelector):
13392  """Proxy of C++ IMP::atom::ATOMPDBSelector class"""
13393  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13394 
13395  def __init__(self, *args):
13396  """
13397  __init__(IMP::atom::ATOMPDBSelector self, std::string name) -> ATOMPDBSelector
13398  __init__(IMP::atom::ATOMPDBSelector self) -> ATOMPDBSelector
13399  """
13400  this = _IMP_atom.new_ATOMPDBSelector(*args)
13401  try:
13402  self.this.append(this)
13403  except:
13404  self.this = this
13405 
13406  def __str__(self):
13407  """__str__(ATOMPDBSelector self) -> std::string"""
13408  return _IMP_atom.ATOMPDBSelector___str__(self)
13409 
13410 
13411  def __repr__(self):
13412  """__repr__(ATOMPDBSelector self) -> std::string"""
13413  return _IMP_atom.ATOMPDBSelector___repr__(self)
13414 
13415 
13416  @staticmethod
13417  def get_from(o):
13418  return _object_cast_to_ATOMPDBSelector(o)
13419 
13420 ATOMPDBSelector_swigregister = _IMP_atom.ATOMPDBSelector_swigregister
13421 ATOMPDBSelector_swigregister(ATOMPDBSelector)
13422 
13423 class CAlphaPDBSelector(NonAlternativePDBSelector):
13424  """Proxy of C++ IMP::atom::CAlphaPDBSelector class"""
13425  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13426 
13427  def __init__(self, *args):
13428  """
13429  __init__(IMP::atom::CAlphaPDBSelector self, std::string name) -> CAlphaPDBSelector
13430  __init__(IMP::atom::CAlphaPDBSelector self) -> CAlphaPDBSelector
13431  """
13432  this = _IMP_atom.new_CAlphaPDBSelector(*args)
13433  try:
13434  self.this.append(this)
13435  except:
13436  self.this = this
13437 
13438  def __str__(self):
13439  """__str__(CAlphaPDBSelector self) -> std::string"""
13440  return _IMP_atom.CAlphaPDBSelector___str__(self)
13441 
13442 
13443  def __repr__(self):
13444  """__repr__(CAlphaPDBSelector self) -> std::string"""
13445  return _IMP_atom.CAlphaPDBSelector___repr__(self)
13446 
13447 
13448  @staticmethod
13449  def get_from(o):
13450  return _object_cast_to_CAlphaPDBSelector(o)
13451 
13452 CAlphaPDBSelector_swigregister = _IMP_atom.CAlphaPDBSelector_swigregister
13453 CAlphaPDBSelector_swigregister(CAlphaPDBSelector)
13454 
13455 class CBetaPDBSelector(NonAlternativePDBSelector):
13456  """Proxy of C++ IMP::atom::CBetaPDBSelector class"""
13457  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13458 
13459  def __init__(self, *args):
13460  """
13461  __init__(IMP::atom::CBetaPDBSelector self, std::string name) -> CBetaPDBSelector
13462  __init__(IMP::atom::CBetaPDBSelector self) -> CBetaPDBSelector
13463  """
13464  this = _IMP_atom.new_CBetaPDBSelector(*args)
13465  try:
13466  self.this.append(this)
13467  except:
13468  self.this = this
13469 
13470  def __str__(self):
13471  """__str__(CBetaPDBSelector self) -> std::string"""
13472  return _IMP_atom.CBetaPDBSelector___str__(self)
13473 
13474 
13475  def __repr__(self):
13476  """__repr__(CBetaPDBSelector self) -> std::string"""
13477  return _IMP_atom.CBetaPDBSelector___repr__(self)
13478 
13479 
13480  @staticmethod
13481  def get_from(o):
13482  return _object_cast_to_CBetaPDBSelector(o)
13483 
13484 CBetaPDBSelector_swigregister = _IMP_atom.CBetaPDBSelector_swigregister
13485 CBetaPDBSelector_swigregister(CBetaPDBSelector)
13486 
13487 class AtomTypePDBSelector(PDBSelector):
13488  """Proxy of C++ IMP::atom::AtomTypePDBSelector class"""
13489  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13490 
13491  def __init__(self, *args):
13492  """
13493  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types, std::string name) -> AtomTypePDBSelector
13494  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types) -> AtomTypePDBSelector
13495  """
13496  this = _IMP_atom.new_AtomTypePDBSelector(*args)
13497  try:
13498  self.this.append(this)
13499  except:
13500  self.this = this
13501 
13502  def get_version_info(self):
13503  """get_version_info(AtomTypePDBSelector self) -> VersionInfo"""
13504  return _IMP_atom.AtomTypePDBSelector_get_version_info(self)
13505 
13506 
13507  def __str__(self):
13508  """__str__(AtomTypePDBSelector self) -> std::string"""
13509  return _IMP_atom.AtomTypePDBSelector___str__(self)
13510 
13511 
13512  def __repr__(self):
13513  """__repr__(AtomTypePDBSelector self) -> std::string"""
13514  return _IMP_atom.AtomTypePDBSelector___repr__(self)
13515 
13516 
13517  @staticmethod
13518  def get_from(o):
13519  return _object_cast_to_AtomTypePDBSelector(o)
13520 
13521 AtomTypePDBSelector_swigregister = _IMP_atom.AtomTypePDBSelector_swigregister
13522 AtomTypePDBSelector_swigregister(AtomTypePDBSelector)
13523 
13524 class ResidueTypePDBSelector(PDBSelector):
13525  """Proxy of C++ IMP::atom::ResidueTypePDBSelector class"""
13526  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13527 
13528  def __init__(self, *args):
13529  """
13530  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types, std::string name) -> ResidueTypePDBSelector
13531  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types) -> ResidueTypePDBSelector
13532  """
13533  this = _IMP_atom.new_ResidueTypePDBSelector(*args)
13534  try:
13535  self.this.append(this)
13536  except:
13537  self.this = this
13538 
13539  def get_version_info(self):
13540  """get_version_info(ResidueTypePDBSelector self) -> VersionInfo"""
13541  return _IMP_atom.ResidueTypePDBSelector_get_version_info(self)
13542 
13543 
13544  def __str__(self):
13545  """__str__(ResidueTypePDBSelector self) -> std::string"""
13546  return _IMP_atom.ResidueTypePDBSelector___str__(self)
13547 
13548 
13549  def __repr__(self):
13550  """__repr__(ResidueTypePDBSelector self) -> std::string"""
13551  return _IMP_atom.ResidueTypePDBSelector___repr__(self)
13552 
13553 
13554  @staticmethod
13555  def get_from(o):
13556  return _object_cast_to_ResidueTypePDBSelector(o)
13557 
13558 ResidueTypePDBSelector_swigregister = _IMP_atom.ResidueTypePDBSelector_swigregister
13559 ResidueTypePDBSelector_swigregister(ResidueTypePDBSelector)
13560 
13561 class CPDBSelector(NonAlternativePDBSelector):
13562  """Proxy of C++ IMP::atom::CPDBSelector class"""
13563  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13564 
13565  def __init__(self, *args):
13566  """
13567  __init__(IMP::atom::CPDBSelector self, std::string name) -> CPDBSelector
13568  __init__(IMP::atom::CPDBSelector self) -> CPDBSelector
13569  """
13570  this = _IMP_atom.new_CPDBSelector(*args)
13571  try:
13572  self.this.append(this)
13573  except:
13574  self.this = this
13575 
13576  def __str__(self):
13577  """__str__(CPDBSelector self) -> std::string"""
13578  return _IMP_atom.CPDBSelector___str__(self)
13579 
13580 
13581  def __repr__(self):
13582  """__repr__(CPDBSelector self) -> std::string"""
13583  return _IMP_atom.CPDBSelector___repr__(self)
13584 
13585 
13586  @staticmethod
13587  def get_from(o):
13588  return _object_cast_to_CPDBSelector(o)
13589 
13590 CPDBSelector_swigregister = _IMP_atom.CPDBSelector_swigregister
13591 CPDBSelector_swigregister(CPDBSelector)
13592 
13593 class NPDBSelector(NonAlternativePDBSelector):
13594  """Proxy of C++ IMP::atom::NPDBSelector class"""
13595  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13596 
13597  def __init__(self, *args):
13598  """
13599  __init__(IMP::atom::NPDBSelector self, std::string name) -> NPDBSelector
13600  __init__(IMP::atom::NPDBSelector self) -> NPDBSelector
13601  """
13602  this = _IMP_atom.new_NPDBSelector(*args)
13603  try:
13604  self.this.append(this)
13605  except:
13606  self.this = this
13607 
13608  def __str__(self):
13609  """__str__(NPDBSelector self) -> std::string"""
13610  return _IMP_atom.NPDBSelector___str__(self)
13611 
13612 
13613  def __repr__(self):
13614  """__repr__(NPDBSelector self) -> std::string"""
13615  return _IMP_atom.NPDBSelector___repr__(self)
13616 
13617 
13618  @staticmethod
13619  def get_from(o):
13620  return _object_cast_to_NPDBSelector(o)
13621 
13622 NPDBSelector_swigregister = _IMP_atom.NPDBSelector_swigregister
13623 NPDBSelector_swigregister(NPDBSelector)
13624 
13625 class AllPDBSelector(PDBSelector):
13626  """Proxy of C++ IMP::atom::AllPDBSelector class"""
13627  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13628 
13629  def __init__(self, *args):
13630  """
13631  __init__(IMP::atom::AllPDBSelector self, std::string name) -> AllPDBSelector
13632  __init__(IMP::atom::AllPDBSelector self) -> AllPDBSelector
13633  """
13634  this = _IMP_atom.new_AllPDBSelector(*args)
13635  try:
13636  self.this.append(this)
13637  except:
13638  self.this = this
13639 
13640  def get_version_info(self):
13641  """get_version_info(AllPDBSelector self) -> VersionInfo"""
13642  return _IMP_atom.AllPDBSelector_get_version_info(self)
13643 
13644 
13645  def __str__(self):
13646  """__str__(AllPDBSelector self) -> std::string"""
13647  return _IMP_atom.AllPDBSelector___str__(self)
13648 
13649 
13650  def __repr__(self):
13651  """__repr__(AllPDBSelector self) -> std::string"""
13652  return _IMP_atom.AllPDBSelector___repr__(self)
13653 
13654 
13655  @staticmethod
13656  def get_from(o):
13657  return _object_cast_to_AllPDBSelector(o)
13658 
13659 AllPDBSelector_swigregister = _IMP_atom.AllPDBSelector_swigregister
13660 AllPDBSelector_swigregister(AllPDBSelector)
13661 
13662 class ChainPDBSelector(NonAlternativePDBSelector):
13663  """Proxy of C++ IMP::atom::ChainPDBSelector class"""
13664  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13665 
13666  def __init__(self, *args):
13667  """
13668  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains, std::string name) -> ChainPDBSelector
13669  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains) -> ChainPDBSelector
13670  """
13671  this = _IMP_atom.new_ChainPDBSelector(*args)
13672  try:
13673  self.this.append(this)
13674  except:
13675  self.this = this
13676 
13677  def __str__(self):
13678  """__str__(ChainPDBSelector self) -> std::string"""
13679  return _IMP_atom.ChainPDBSelector___str__(self)
13680 
13681 
13682  def __repr__(self):
13683  """__repr__(ChainPDBSelector self) -> std::string"""
13684  return _IMP_atom.ChainPDBSelector___repr__(self)
13685 
13686 
13687  @staticmethod
13688  def get_from(o):
13689  return _object_cast_to_ChainPDBSelector(o)
13690 
13691 ChainPDBSelector_swigregister = _IMP_atom.ChainPDBSelector_swigregister
13692 ChainPDBSelector_swigregister(ChainPDBSelector)
13693 
13694 class WaterPDBSelector(NonAlternativePDBSelector):
13695  """Proxy of C++ IMP::atom::WaterPDBSelector class"""
13696  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13697 
13698  def __init__(self, *args):
13699  """
13700  __init__(IMP::atom::WaterPDBSelector self, std::string name) -> WaterPDBSelector
13701  __init__(IMP::atom::WaterPDBSelector self) -> WaterPDBSelector
13702  """
13703  this = _IMP_atom.new_WaterPDBSelector(*args)
13704  try:
13705  self.this.append(this)
13706  except:
13707  self.this = this
13708 
13709  def __str__(self):
13710  """__str__(WaterPDBSelector self) -> std::string"""
13711  return _IMP_atom.WaterPDBSelector___str__(self)
13712 
13713 
13714  def __repr__(self):
13715  """__repr__(WaterPDBSelector self) -> std::string"""
13716  return _IMP_atom.WaterPDBSelector___repr__(self)
13717 
13718 
13719  @staticmethod
13720  def get_from(o):
13721  return _object_cast_to_WaterPDBSelector(o)
13722 
13723 WaterPDBSelector_swigregister = _IMP_atom.WaterPDBSelector_swigregister
13724 WaterPDBSelector_swigregister(WaterPDBSelector)
13725 
13726 class HydrogenPDBSelector(NonAlternativePDBSelector):
13727  """Proxy of C++ IMP::atom::HydrogenPDBSelector class"""
13728  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13729 
13730  def __init__(self, *args):
13731  """
13732  __init__(IMP::atom::HydrogenPDBSelector self, std::string name) -> HydrogenPDBSelector
13733  __init__(IMP::atom::HydrogenPDBSelector self) -> HydrogenPDBSelector
13734  """
13735  this = _IMP_atom.new_HydrogenPDBSelector(*args)
13736  try:
13737  self.this.append(this)
13738  except:
13739  self.this = this
13740 
13741  def __str__(self):
13742  """__str__(HydrogenPDBSelector self) -> std::string"""
13743  return _IMP_atom.HydrogenPDBSelector___str__(self)
13744 
13745 
13746  def __repr__(self):
13747  """__repr__(HydrogenPDBSelector self) -> std::string"""
13748  return _IMP_atom.HydrogenPDBSelector___repr__(self)
13749 
13750 
13751  @staticmethod
13752  def get_from(o):
13753  return _object_cast_to_HydrogenPDBSelector(o)
13754 
13755 HydrogenPDBSelector_swigregister = _IMP_atom.HydrogenPDBSelector_swigregister
13756 HydrogenPDBSelector_swigregister(HydrogenPDBSelector)
13757 
13758 class NonWaterNonHydrogenPDBSelector(NonAlternativePDBSelector):
13759  """Proxy of C++ IMP::atom::NonWaterNonHydrogenPDBSelector class"""
13760  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13761 
13762  def __init__(self, *args):
13763  """
13764  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self, std::string name) -> NonWaterNonHydrogenPDBSelector
13765  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self) -> NonWaterNonHydrogenPDBSelector
13766  """
13767  this = _IMP_atom.new_NonWaterNonHydrogenPDBSelector(*args)
13768  try:
13769  self.this.append(this)
13770  except:
13771  self.this = this
13772 
13773  def __str__(self):
13774  """__str__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13775  return _IMP_atom.NonWaterNonHydrogenPDBSelector___str__(self)
13776 
13777 
13778  def __repr__(self):
13779  """__repr__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13780  return _IMP_atom.NonWaterNonHydrogenPDBSelector___repr__(self)
13781 
13782 
13783  @staticmethod
13784  def get_from(o):
13785  return _object_cast_to_NonWaterNonHydrogenPDBSelector(o)
13786 
13787 NonWaterNonHydrogenPDBSelector_swigregister = _IMP_atom.NonWaterNonHydrogenPDBSelector_swigregister
13788 NonWaterNonHydrogenPDBSelector_swigregister(NonWaterNonHydrogenPDBSelector)
13789 
13790 class NonHydrogenPDBSelector(NonAlternativePDBSelector):
13791  """Proxy of C++ IMP::atom::NonHydrogenPDBSelector class"""
13792  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13793 
13794  def __init__(self, *args):
13795  """
13796  __init__(IMP::atom::NonHydrogenPDBSelector self, std::string name) -> NonHydrogenPDBSelector
13797  __init__(IMP::atom::NonHydrogenPDBSelector self) -> NonHydrogenPDBSelector
13798  """
13799  this = _IMP_atom.new_NonHydrogenPDBSelector(*args)
13800  try:
13801  self.this.append(this)
13802  except:
13803  self.this = this
13804 
13805  def __str__(self):
13806  """__str__(NonHydrogenPDBSelector self) -> std::string"""
13807  return _IMP_atom.NonHydrogenPDBSelector___str__(self)
13808 
13809 
13810  def __repr__(self):
13811  """__repr__(NonHydrogenPDBSelector self) -> std::string"""
13812  return _IMP_atom.NonHydrogenPDBSelector___repr__(self)
13813 
13814 
13815  @staticmethod
13816  def get_from(o):
13817  return _object_cast_to_NonHydrogenPDBSelector(o)
13818 
13819 NonHydrogenPDBSelector_swigregister = _IMP_atom.NonHydrogenPDBSelector_swigregister
13820 NonHydrogenPDBSelector_swigregister(NonHydrogenPDBSelector)
13821 
13822 class NonWaterPDBSelector(NonAlternativePDBSelector):
13823  """Proxy of C++ IMP::atom::NonWaterPDBSelector class"""
13824  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13825 
13826  def __init__(self, *args):
13827  """
13828  __init__(IMP::atom::NonWaterPDBSelector self, std::string name) -> NonWaterPDBSelector
13829  __init__(IMP::atom::NonWaterPDBSelector self) -> NonWaterPDBSelector
13830  """
13831  this = _IMP_atom.new_NonWaterPDBSelector(*args)
13832  try:
13833  self.this.append(this)
13834  except:
13835  self.this = this
13836 
13837  def __str__(self):
13838  """__str__(NonWaterPDBSelector self) -> std::string"""
13839  return _IMP_atom.NonWaterPDBSelector___str__(self)
13840 
13841 
13842  def __repr__(self):
13843  """__repr__(NonWaterPDBSelector self) -> std::string"""
13844  return _IMP_atom.NonWaterPDBSelector___repr__(self)
13845 
13846 
13847  @staticmethod
13848  def get_from(o):
13849  return _object_cast_to_NonWaterPDBSelector(o)
13850 
13851 NonWaterPDBSelector_swigregister = _IMP_atom.NonWaterPDBSelector_swigregister
13852 NonWaterPDBSelector_swigregister(NonWaterPDBSelector)
13853 
13854 class BackbonePDBSelector(NonWaterNonHydrogenPDBSelector):
13855  """Proxy of C++ IMP::atom::BackbonePDBSelector class"""
13856  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13857 
13858  def __init__(self, *args):
13859  """
13860  __init__(IMP::atom::BackbonePDBSelector self, std::string name) -> BackbonePDBSelector
13861  __init__(IMP::atom::BackbonePDBSelector self) -> BackbonePDBSelector
13862  """
13863  this = _IMP_atom.new_BackbonePDBSelector(*args)
13864  try:
13865  self.this.append(this)
13866  except:
13867  self.this = this
13868 
13869  def __str__(self):
13870  """__str__(BackbonePDBSelector self) -> std::string"""
13871  return _IMP_atom.BackbonePDBSelector___str__(self)
13872 
13873 
13874  def __repr__(self):
13875  """__repr__(BackbonePDBSelector self) -> std::string"""
13876  return _IMP_atom.BackbonePDBSelector___repr__(self)
13877 
13878 
13879  @staticmethod
13880  def get_from(o):
13881  return _object_cast_to_BackbonePDBSelector(o)
13882 
13883 BackbonePDBSelector_swigregister = _IMP_atom.BackbonePDBSelector_swigregister
13884 BackbonePDBSelector_swigregister(BackbonePDBSelector)
13885 
13886 class PPDBSelector(NonAlternativePDBSelector):
13887  """Proxy of C++ IMP::atom::PPDBSelector class"""
13888  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13889 
13890  def __init__(self, *args):
13891  """
13892  __init__(IMP::atom::PPDBSelector self, std::string name) -> PPDBSelector
13893  __init__(IMP::atom::PPDBSelector self) -> PPDBSelector
13894  """
13895  this = _IMP_atom.new_PPDBSelector(*args)
13896  try:
13897  self.this.append(this)
13898  except:
13899  self.this = this
13900 
13901  def __str__(self):
13902  """__str__(PPDBSelector self) -> std::string"""
13903  return _IMP_atom.PPDBSelector___str__(self)
13904 
13905 
13906  def __repr__(self):
13907  """__repr__(PPDBSelector self) -> std::string"""
13908  return _IMP_atom.PPDBSelector___repr__(self)
13909 
13910 
13911  @staticmethod
13912  def get_from(o):
13913  return _object_cast_to_PPDBSelector(o)
13914 
13915 PPDBSelector_swigregister = _IMP_atom.PPDBSelector_swigregister
13916 PPDBSelector_swigregister(PPDBSelector)
13917 
13918 class AndPDBSelector(PDBSelector):
13919  """Proxy of C++ IMP::atom::AndPDBSelector class"""
13920  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13921 
13922  def get_version_info(self):
13923  """get_version_info(AndPDBSelector self) -> VersionInfo"""
13924  return _IMP_atom.AndPDBSelector_get_version_info(self)
13925 
13926 
13927  def __init__(self, a, b):
13928  """__init__(IMP::atom::AndPDBSelector self, PDBSelector a, PDBSelector b) -> AndPDBSelector"""
13929  this = _IMP_atom.new_AndPDBSelector(a, b)
13930  try:
13931  self.this.append(this)
13932  except:
13933  self.this = this
13934 
13935  def __str__(self):
13936  """__str__(AndPDBSelector self) -> std::string"""
13937  return _IMP_atom.AndPDBSelector___str__(self)
13938 
13939 
13940  def __repr__(self):
13941  """__repr__(AndPDBSelector self) -> std::string"""
13942  return _IMP_atom.AndPDBSelector___repr__(self)
13943 
13944 
13945  @staticmethod
13946  def get_from(o):
13947  return _object_cast_to_AndPDBSelector(o)
13948 
13949 AndPDBSelector_swigregister = _IMP_atom.AndPDBSelector_swigregister
13950 AndPDBSelector_swigregister(AndPDBSelector)
13951 
13952 class OrPDBSelector(PDBSelector):
13953  """Proxy of C++ IMP::atom::OrPDBSelector class"""
13954  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13955 
13956  def get_version_info(self):
13957  """get_version_info(OrPDBSelector self) -> VersionInfo"""
13958  return _IMP_atom.OrPDBSelector_get_version_info(self)
13959 
13960 
13961  def __init__(self, a, b):
13962  """__init__(IMP::atom::OrPDBSelector self, PDBSelector a, PDBSelector b) -> OrPDBSelector"""
13963  this = _IMP_atom.new_OrPDBSelector(a, b)
13964  try:
13965  self.this.append(this)
13966  except:
13967  self.this = this
13968 
13969  def __str__(self):
13970  """__str__(OrPDBSelector self) -> std::string"""
13971  return _IMP_atom.OrPDBSelector___str__(self)
13972 
13973 
13974  def __repr__(self):
13975  """__repr__(OrPDBSelector self) -> std::string"""
13976  return _IMP_atom.OrPDBSelector___repr__(self)
13977 
13978 
13979  @staticmethod
13980  def get_from(o):
13981  return _object_cast_to_OrPDBSelector(o)
13982 
13983 OrPDBSelector_swigregister = _IMP_atom.OrPDBSelector_swigregister
13984 OrPDBSelector_swigregister(OrPDBSelector)
13985 
13986 class XorPDBSelector(PDBSelector):
13987  """Proxy of C++ IMP::atom::XorPDBSelector class"""
13988  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13989 
13990  def get_version_info(self):
13991  """get_version_info(XorPDBSelector self) -> VersionInfo"""
13992  return _IMP_atom.XorPDBSelector_get_version_info(self)
13993 
13994 
13995  def __init__(self, a, b):
13996  """__init__(IMP::atom::XorPDBSelector self, PDBSelector a, PDBSelector b) -> XorPDBSelector"""
13997  this = _IMP_atom.new_XorPDBSelector(a, b)
13998  try:
13999  self.this.append(this)
14000  except:
14001  self.this = this
14002 
14003  def __str__(self):
14004  """__str__(XorPDBSelector self) -> std::string"""
14005  return _IMP_atom.XorPDBSelector___str__(self)
14006 
14007 
14008  def __repr__(self):
14009  """__repr__(XorPDBSelector self) -> std::string"""
14010  return _IMP_atom.XorPDBSelector___repr__(self)
14011 
14012 
14013  @staticmethod
14014  def get_from(o):
14015  return _object_cast_to_XorPDBSelector(o)
14016 
14017 XorPDBSelector_swigregister = _IMP_atom.XorPDBSelector_swigregister
14018 XorPDBSelector_swigregister(XorPDBSelector)
14019 
14020 class NotPDBSelector(PDBSelector):
14021  """Proxy of C++ IMP::atom::NotPDBSelector class"""
14022  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14023 
14024  def get_version_info(self):
14025  """get_version_info(NotPDBSelector self) -> VersionInfo"""
14026  return _IMP_atom.NotPDBSelector_get_version_info(self)
14027 
14028 
14029  def __init__(self, a):
14030  """__init__(IMP::atom::NotPDBSelector self, PDBSelector a) -> NotPDBSelector"""
14031  this = _IMP_atom.new_NotPDBSelector(a)
14032  try:
14033  self.this.append(this)
14034  except:
14035  self.this = this
14036 
14037  def __str__(self):
14038  """__str__(NotPDBSelector self) -> std::string"""
14039  return _IMP_atom.NotPDBSelector___str__(self)
14040 
14041 
14042  def __repr__(self):
14043  """__repr__(NotPDBSelector self) -> std::string"""
14044  return _IMP_atom.NotPDBSelector___repr__(self)
14045 
14046 
14047  @staticmethod
14048  def get_from(o):
14049  return _object_cast_to_NotPDBSelector(o)
14050 
14051 NotPDBSelector_swigregister = _IMP_atom.NotPDBSelector_swigregister
14052 NotPDBSelector_swigregister(NotPDBSelector)
14053 
14054 
14055 def get_default_pdb_selector():
14056  """get_default_pdb_selector() -> PDBSelector"""
14057  return _IMP_atom.get_default_pdb_selector()
14058 
14059 def read_pdb(*args):
14060  """
14061  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool no_radii=False) -> Hierarchy
14062  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
14063  read_pdb(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14064  read_pdb(TextInput input, Model model) -> Hierarchy
14065  read_pdb(TextInput input, int model, Hierarchy h)
14066  """
14067  return _IMP_atom.read_pdb(*args)
14068 
14069 def read_multimodel_pdb(*args):
14070  """
14071  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14072  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14073  read_multimodel_pdb(TextInput input, Model model) -> IMP::atom::Hierarchies
14074  """
14075  return _IMP_atom.read_multimodel_pdb(*args)
14076 
14077 def write_pdb(mhd, out, model=1):
14078  """
14079  write_pdb(Selection mhd, TextOutput out, unsigned int model=1)
14080  write_pdb(Selection mhd, TextOutput out)
14081  """
14082  return _IMP_atom.write_pdb(mhd, out, model)
14083 
14084 def write_pdb_of_c_alphas(mhd, out, model=1):
14085  """
14086  write_pdb_of_c_alphas(Selection mhd, TextOutput out, unsigned int model=1)
14087  write_pdb_of_c_alphas(Selection mhd, TextOutput out)
14088  """
14089  return _IMP_atom.write_pdb_of_c_alphas(mhd, out, model)
14090 
14091 def write_multimodel_pdb(mhd, out):
14092  """write_multimodel_pdb(IMP::atom::Hierarchies const & mhd, TextOutput out)"""
14093  return _IMP_atom.write_multimodel_pdb(mhd, out)
14094 
14095 def get_pdb_string(*args):
14096  """
14097  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
14098  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
14099  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
14100  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode) -> std::string
14101  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1) -> std::string
14102  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain) -> std::string
14103  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt) -> std::string
14104  get_pdb_string(Vector3D v, int index=-1, AtomType at) -> std::string
14105  get_pdb_string(Vector3D v, int index=-1) -> std::string
14106  get_pdb_string(Vector3D v) -> std::string
14107  """
14108  return _IMP_atom.get_pdb_string(*args)
14109 
14110 def get_pdb_conect_record_string(arg1, arg2):
14111  """get_pdb_conect_record_string(int arg1, int arg2) -> std::string"""
14112  return _IMP_atom.get_pdb_conect_record_string(arg1, arg2)
14113 class WritePDBOptimizerState(IMP.OptimizerState):
14114  """Proxy of C++ IMP::atom::WritePDBOptimizerState class"""
14115  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14116 
14117  def __init__(self, *args):
14118  """
14119  __init__(IMP::atom::WritePDBOptimizerState self, Model m, _ParticleIndexesAdaptor pis, std::string filename) -> WritePDBOptimizerState
14120  __init__(IMP::atom::WritePDBOptimizerState self, IMP::atom::Hierarchies const mh, std::string filename) -> WritePDBOptimizerState
14121  """
14122  this = _IMP_atom.new_WritePDBOptimizerState(*args)
14123  try:
14124  self.this.append(this)
14125  except:
14126  self.this = this
14127 
14128  def get_version_info(self):
14129  """get_version_info(WritePDBOptimizerState self) -> VersionInfo"""
14130  return _IMP_atom.WritePDBOptimizerState_get_version_info(self)
14131 
14132 
14133  def __str__(self):
14134  """__str__(WritePDBOptimizerState self) -> std::string"""
14135  return _IMP_atom.WritePDBOptimizerState___str__(self)
14136 
14137 
14138  def __repr__(self):
14139  """__repr__(WritePDBOptimizerState self) -> std::string"""
14140  return _IMP_atom.WritePDBOptimizerState___repr__(self)
14141 
14142 
14143  @staticmethod
14144  def get_from(o):
14145  return _object_cast_to_WritePDBOptimizerState(o)
14146 
14147 WritePDBOptimizerState_swigregister = _IMP_atom.WritePDBOptimizerState_swigregister
14148 WritePDBOptimizerState_swigregister(WritePDBOptimizerState)
14149 
14150 
14151 def read_multimodel_mmcif(*args):
14152  """
14153  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14154  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14155  read_multimodel_mmcif(TextInput input, Model model) -> IMP::atom::Hierarchies
14156  """
14157  return _IMP_atom.read_multimodel_mmcif(*args)
14158 
14159 def read_mmcif(*args):
14160  """
14161  read_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool noradii=False) -> Hierarchy
14162  read_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
14163  read_mmcif(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14164  read_mmcif(TextInput input, Model model) -> Hierarchy
14165  """
14166  return _IMP_atom.read_mmcif(*args)
14167 
14168 def read_pdb_or_mmcif(*args):
14169  """
14170  read_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool noradii=False) -> Hierarchy
14171  read_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
14172  read_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14173  read_pdb_or_mmcif(TextInput input, Model model) -> Hierarchy
14174  """
14175  return _IMP_atom.read_pdb_or_mmcif(*args)
14176 
14177 def read_multimodel_pdb_or_mmcif(*args):
14178  """
14179  read_multimodel_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14180  read_multimodel_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14181  read_multimodel_pdb_or_mmcif(TextInput input, Model model) -> IMP::atom::Hierarchies
14182  """
14183  return _IMP_atom.read_multimodel_pdb_or_mmcif(*args)
14184 
14185 def get_kt(T):
14186  """get_kt(double T) -> double"""
14187  return _IMP_atom.get_kt(T)
14188 class CAAngleRestraint(IMP.Restraint):
14189  """Proxy of C++ IMP::atom::CAAngleRestraint class"""
14190  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14191 
14192  def __init__(self, m, p1, p2, p3, phi0, score):
14193  """__init__(IMP::atom::CAAngleRestraint self, Model m, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, IMP::Floats phi0, IMP::Floats score) -> CAAngleRestraint"""
14194  this = _IMP_atom.new_CAAngleRestraint(m, p1, p2, p3, phi0, score)
14195  try:
14196  self.this.append(this)
14197  except:
14198  self.this = this
14199 
14200  def do_get_inputs(self):
14201  """do_get_inputs(CAAngleRestraint self) -> IMP::ModelObjectsTemp"""
14202  return _IMP_atom.CAAngleRestraint_do_get_inputs(self)
14203 
14204 
14205  def get_version_info(self):
14206  """get_version_info(CAAngleRestraint self) -> VersionInfo"""
14207  return _IMP_atom.CAAngleRestraint_get_version_info(self)
14208 
14209 
14210  def __str__(self):
14211  """__str__(CAAngleRestraint self) -> std::string"""
14212  return _IMP_atom.CAAngleRestraint___str__(self)
14213 
14214 
14215  def __repr__(self):
14216  """__repr__(CAAngleRestraint self) -> std::string"""
14217  return _IMP_atom.CAAngleRestraint___repr__(self)
14218 
14219 
14220  @staticmethod
14221  def get_from(o):
14222  return _object_cast_to_CAAngleRestraint(o)
14223 
14224 CAAngleRestraint_swigregister = _IMP_atom.CAAngleRestraint_swigregister
14225 CAAngleRestraint_swigregister(CAAngleRestraint)
14226 
14227 class CADihedralRestraint(IMP.Restraint):
14228  """Proxy of C++ IMP::atom::CADihedralRestraint class"""
14229  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14230 
14231  def __init__(self, m, p1, p2, p3, p4, p5, phi0, phi1, score):
14232  """__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"""
14233  this = _IMP_atom.new_CADihedralRestraint(m, p1, p2, p3, p4, p5, phi0, phi1, score)
14234  try:
14235  self.this.append(this)
14236  except:
14237  self.this = this
14238 
14239  def do_get_inputs(self):
14240  """do_get_inputs(CADihedralRestraint self) -> IMP::ModelObjectsTemp"""
14241  return _IMP_atom.CADihedralRestraint_do_get_inputs(self)
14242 
14243 
14244  def get_version_info(self):
14245  """get_version_info(CADihedralRestraint self) -> VersionInfo"""
14246  return _IMP_atom.CADihedralRestraint_get_version_info(self)
14247 
14248 
14249  def __str__(self):
14250  """__str__(CADihedralRestraint self) -> std::string"""
14251  return _IMP_atom.CADihedralRestraint___str__(self)
14252 
14253 
14254  def __repr__(self):
14255  """__repr__(CADihedralRestraint self) -> std::string"""
14256  return _IMP_atom.CADihedralRestraint___repr__(self)
14257 
14258 
14259  @staticmethod
14260  def get_from(o):
14261  return _object_cast_to_CADihedralRestraint(o)
14262 
14263 CADihedralRestraint_swigregister = _IMP_atom.CADihedralRestraint_swigregister
14264 CADihedralRestraint_swigregister(CADihedralRestraint)
14265 
14266 class StructureSource(IMP.Decorator):
14267  """Proxy of C++ IMP::atom::StructureSource class"""
14268  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14269 
14270  def get_source_id(self):
14271  """get_source_id(StructureSource self) -> std::string"""
14272  return _IMP_atom.StructureSource_get_source_id(self)
14273 
14274 
14275  def get_source_chain_id(self):
14276  """get_source_chain_id(StructureSource self) -> std::string"""
14277  return _IMP_atom.StructureSource_get_source_chain_id(self)
14278 
14279 
14280  def set_source_id(self, source_id):
14281  """set_source_id(StructureSource self, std::string source_id)"""
14282  return _IMP_atom.StructureSource_set_source_id(self, source_id)
14283 
14284 
14285  def set_source_chain_id(self, source_chain_id):
14286  """set_source_chain_id(StructureSource self, std::string source_chain_id)"""
14287  return _IMP_atom.StructureSource_set_source_chain_id(self, source_chain_id)
14288 
14289 
14290  def __init__(self, *args):
14291  """
14292  __init__(IMP::atom::StructureSource self) -> StructureSource
14293  __init__(IMP::atom::StructureSource self, Model m, ParticleIndex id) -> StructureSource
14294  __init__(IMP::atom::StructureSource self, _ParticleAdaptor d) -> StructureSource
14295  """
14296  this = _IMP_atom.new_StructureSource(*args)
14297  try:
14298  self.this.append(this)
14299  except:
14300  self.this = this
14301 
14302  def get_is_setup(*args):
14303  """
14304  get_is_setup(Model m, ParticleIndex pi) -> bool
14305  get_is_setup(_ParticleAdaptor p) -> bool
14306  """
14307  return _IMP_atom.StructureSource_get_is_setup(*args)
14308 
14309  get_is_setup = staticmethod(get_is_setup)
14310 
14311  def show(self, *args):
14312  """
14313  show(StructureSource self, _ostream out)
14314  show(StructureSource self)
14315  """
14316  return _IMP_atom.StructureSource_show(self, *args)
14317 
14318 
14319  def setup_particle(*args):
14320  """
14321  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
14322  setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
14323  """
14324  return _IMP_atom.StructureSource_setup_particle(*args)
14325 
14326  setup_particle = staticmethod(setup_particle)
14327 
14328  def add_attribute(self, *args):
14329  """
14330  add_attribute(StructureSource self, FloatKey k, IMP::Float v, bool opt)
14331  add_attribute(StructureSource self, FloatKey a0, IMP::Float a1)
14332  add_attribute(StructureSource self, IntKey a0, IMP::Int a1)
14333  add_attribute(StructureSource self, FloatsKey a0, IMP::Floats a1)
14334  add_attribute(StructureSource self, IntsKey a0, IMP::Ints a1)
14335  add_attribute(StructureSource self, StringKey a0, IMP::String a1)
14336  add_attribute(StructureSource self, ParticleIndexKey a0, Particle a1)
14337  add_attribute(StructureSource self, ObjectKey a0, Object a1)
14338  """
14339  return _IMP_atom.StructureSource_add_attribute(self, *args)
14340 
14341 
14342  def get_value(self, *args):
14343  """
14344  get_value(StructureSource self, FloatKey a0) -> IMP::Float
14345  get_value(StructureSource self, IntKey a0) -> IMP::Int
14346  get_value(StructureSource self, FloatsKey a0) -> IMP::Floats
14347  get_value(StructureSource self, IntsKey a0) -> IMP::Ints
14348  get_value(StructureSource self, StringKey a0) -> IMP::String
14349  get_value(StructureSource self, ParticleIndexKey a0) -> Particle
14350  get_value(StructureSource self, ObjectKey a0) -> Object
14351  """
14352  return _IMP_atom.StructureSource_get_value(self, *args)
14353 
14354 
14355  def set_value(self, *args):
14356  """
14357  set_value(StructureSource self, FloatKey a0, IMP::Float a1)
14358  set_value(StructureSource self, IntKey a0, IMP::Int a1)
14359  set_value(StructureSource self, FloatsKey a0, IMP::Floats a1)
14360  set_value(StructureSource self, IntsKey a0, IMP::Ints a1)
14361  set_value(StructureSource self, StringKey a0, IMP::String a1)
14362  set_value(StructureSource self, ParticleIndexKey a0, Particle a1)
14363  set_value(StructureSource self, ObjectKey a0, Object a1)
14364  """
14365  return _IMP_atom.StructureSource_set_value(self, *args)
14366 
14367 
14368  def remove_attribute(self, *args):
14369  """
14370  remove_attribute(StructureSource self, FloatKey a0)
14371  remove_attribute(StructureSource self, IntKey a0)
14372  remove_attribute(StructureSource self, FloatsKey a0)
14373  remove_attribute(StructureSource self, IntsKey a0)
14374  remove_attribute(StructureSource self, StringKey a0)
14375  remove_attribute(StructureSource self, ParticleIndexKey a0)
14376  remove_attribute(StructureSource self, ObjectKey a0)
14377  """
14378  return _IMP_atom.StructureSource_remove_attribute(self, *args)
14379 
14380 
14381  def has_attribute(self, *args):
14382  """
14383  has_attribute(StructureSource self, FloatKey a0) -> bool
14384  has_attribute(StructureSource self, IntKey a0) -> bool
14385  has_attribute(StructureSource self, FloatsKey a0) -> bool
14386  has_attribute(StructureSource self, IntsKey a0) -> bool
14387  has_attribute(StructureSource self, StringKey a0) -> bool
14388  has_attribute(StructureSource self, ParticleIndexKey a0) -> bool
14389  has_attribute(StructureSource self, ObjectKey a0) -> bool
14390  """
14391  return _IMP_atom.StructureSource_has_attribute(self, *args)
14392 
14393 
14394  def get_derivative(self, a0):
14395  """get_derivative(StructureSource self, FloatKey a0) -> double"""
14396  return _IMP_atom.StructureSource_get_derivative(self, a0)
14397 
14398 
14399  def get_name(self):
14400  """get_name(StructureSource self) -> std::string"""
14401  return _IMP_atom.StructureSource_get_name(self)
14402 
14403 
14404  def clear_caches(self):
14405  """clear_caches(StructureSource self)"""
14406  return _IMP_atom.StructureSource_clear_caches(self)
14407 
14408 
14409  def set_name(self, a0):
14410  """set_name(StructureSource self, std::string a0)"""
14411  return _IMP_atom.StructureSource_set_name(self, a0)
14412 
14413 
14414  def set_check_level(self, a0):
14415  """set_check_level(StructureSource self, IMP::CheckLevel a0)"""
14416  return _IMP_atom.StructureSource_set_check_level(self, a0)
14417 
14418 
14419  def add_to_derivative(self, a0, a1, a2):
14420  """add_to_derivative(StructureSource self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14421  return _IMP_atom.StructureSource_add_to_derivative(self, a0, a1, a2)
14422 
14423 
14424  def set_is_optimized(self, a0, a1):
14425  """set_is_optimized(StructureSource self, FloatKey a0, bool a1)"""
14426  return _IMP_atom.StructureSource_set_is_optimized(self, a0, a1)
14427 
14428 
14429  def get_is_optimized(self, a0):
14430  """get_is_optimized(StructureSource self, FloatKey a0) -> bool"""
14431  return _IMP_atom.StructureSource_get_is_optimized(self, a0)
14432 
14433 
14434  def get_check_level(self):
14435  """get_check_level(StructureSource self) -> IMP::CheckLevel"""
14436  return _IMP_atom.StructureSource_get_check_level(self)
14437 
14438 
14439  def __eq__(self, *args):
14440  """
14441  __eq__(StructureSource self, StructureSource o) -> bool
14442  __eq__(StructureSource self, Particle d) -> bool
14443  """
14444  return _IMP_atom.StructureSource___eq__(self, *args)
14445 
14446 
14447  def __ne__(self, *args):
14448  """
14449  __ne__(StructureSource self, StructureSource o) -> bool
14450  __ne__(StructureSource self, Particle d) -> bool
14451  """
14452  return _IMP_atom.StructureSource___ne__(self, *args)
14453 
14454 
14455  def __le__(self, *args):
14456  """
14457  __le__(StructureSource self, StructureSource o) -> bool
14458  __le__(StructureSource self, Particle d) -> bool
14459  """
14460  return _IMP_atom.StructureSource___le__(self, *args)
14461 
14462 
14463  def __lt__(self, *args):
14464  """
14465  __lt__(StructureSource self, StructureSource o) -> bool
14466  __lt__(StructureSource self, Particle d) -> bool
14467  """
14468  return _IMP_atom.StructureSource___lt__(self, *args)
14469 
14470 
14471  def __ge__(self, *args):
14472  """
14473  __ge__(StructureSource self, StructureSource o) -> bool
14474  __ge__(StructureSource self, Particle d) -> bool
14475  """
14476  return _IMP_atom.StructureSource___ge__(self, *args)
14477 
14478 
14479  def __gt__(self, *args):
14480  """
14481  __gt__(StructureSource self, StructureSource o) -> bool
14482  __gt__(StructureSource self, Particle d) -> bool
14483  """
14484  return _IMP_atom.StructureSource___gt__(self, *args)
14485 
14486 
14487  def __hash__(self):
14488  """__hash__(StructureSource self) -> std::size_t"""
14489  return _IMP_atom.StructureSource___hash__(self)
14490 
14491 
14492  def __str__(self):
14493  """__str__(StructureSource self) -> std::string"""
14494  return _IMP_atom.StructureSource___str__(self)
14495 
14496 
14497  def __repr__(self):
14498  """__repr__(StructureSource self) -> std::string"""
14499  return _IMP_atom.StructureSource___repr__(self)
14500 
14501  __swig_destroy__ = _IMP_atom.delete_StructureSource
14502  __del__ = lambda self: None
14503 StructureSource_swigregister = _IMP_atom.StructureSource_swigregister
14504 StructureSource_swigregister(StructureSource)
14505 
14506 def StructureSource_get_is_setup(*args):
14507  """
14508  get_is_setup(Model m, ParticleIndex pi) -> bool
14509  StructureSource_get_is_setup(_ParticleAdaptor p) -> bool
14510  """
14511  return _IMP_atom.StructureSource_get_is_setup(*args)
14512 
14513 def StructureSource_setup_particle(*args):
14514  """
14515  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
14516  StructureSource_setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
14517  """
14518  return _IMP_atom.StructureSource_setup_particle(*args)
14519 
14520 
14521 def __lshift__(*args):
14522  """
14523  __lshift__(_ostream out, Bonded n) -> _ostream
14524  __lshift__(_ostream out, Bond n) -> _ostream
14525  __lshift__(_ostream out, Hierarchy n) -> _ostream
14526  __lshift__(_ostream out, Angle n) -> _ostream
14527  __lshift__(_ostream out, Dihedral n) -> _ostream
14528  __lshift__(_ostream out, CenterOfMass n) -> _ostream
14529  __lshift__(_ostream out, Diffusion n) -> _ostream
14530  __lshift__(_ostream out, RigidBodyDiffusion n) -> _ostream
14531  __lshift__(_ostream out, TAMDParticle n) -> _ostream
14532  __lshift__(_ostream out, Chain n) -> _ostream
14533  __lshift__(_ostream out, Charged n) -> _ostream
14534  __lshift__(_ostream out, Domain n) -> _ostream
14535  __lshift__(_ostream out, LennardJones n) -> _ostream
14536  __lshift__(_ostream out, Fragment n) -> _ostream
14537  __lshift__(_ostream out, SecondaryStructureResidue n) -> _ostream
14538  __lshift__(_ostream out, Atom n) -> _ostream
14539  __lshift__(_ostream out, Residue n) -> _ostream
14540  __lshift__(_ostream out, Representation n) -> _ostream
14541  __lshift__(_ostream out, State n) -> _ostream
14542  __lshift__(_ostream out, Molecule n) -> _ostream
14543  __lshift__(_ostream out, Copy n) -> _ostream
14544  __lshift__(_ostream out, StructureSource n) -> _ostream
14545  """
14546  return _IMP_atom.__lshift__(*args)
14547 class HelixRestraint(IMP.Restraint):
14548  """Proxy of C++ IMP::atom::HelixRestraint class"""
14549  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14550 
14551  def __init__(self, rs, ideal=True):
14552  """
14553  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs, bool ideal=True) -> HelixRestraint
14554  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs) -> HelixRestraint
14555  """
14556  this = _IMP_atom.new_HelixRestraint(rs, ideal)
14557  try:
14558  self.this.append(this)
14559  except:
14560  self.this = this
14561 
14562  def get_number_of_bonds(self):
14563  """get_number_of_bonds(HelixRestraint self) -> int"""
14564  return _IMP_atom.HelixRestraint_get_number_of_bonds(self)
14565 
14566 
14567  def get_number_of_dihedrals(self):
14568  """get_number_of_dihedrals(HelixRestraint self) -> int"""
14569  return _IMP_atom.HelixRestraint_get_number_of_dihedrals(self)
14570 
14571 
14572  def do_get_inputs(self):
14573  """do_get_inputs(HelixRestraint self) -> IMP::ModelObjectsTemp"""
14574  return _IMP_atom.HelixRestraint_do_get_inputs(self)
14575 
14576 
14577  def get_version_info(self):
14578  """get_version_info(HelixRestraint self) -> VersionInfo"""
14579  return _IMP_atom.HelixRestraint_get_version_info(self)
14580 
14581 
14582  def __str__(self):
14583  """__str__(HelixRestraint self) -> std::string"""
14584  return _IMP_atom.HelixRestraint___str__(self)
14585 
14586 
14587  def __repr__(self):
14588  """__repr__(HelixRestraint self) -> std::string"""
14589  return _IMP_atom.HelixRestraint___repr__(self)
14590 
14591 
14592  @staticmethod
14593  def get_from(o):
14594  return _object_cast_to_HelixRestraint(o)
14595 
14596 HelixRestraint_swigregister = _IMP_atom.HelixRestraint_swigregister
14597 HelixRestraint_swigregister(HelixRestraint)
14598 
14599 
14601  """get_transformation_aligning_first_to_second(Selection s1, Selection s2) -> Transformation3D"""
14602  return _IMP_atom.get_transformation_aligning_first_to_second(s1, s2)
14603 
14604 def show_molecular_hierarchy(*args):
14605  """
14606  show_molecular_hierarchy(Hierarchy h, _ostream out) -> _ostream
14607  show_molecular_hierarchy(Hierarchy h) -> _ostream
14608  """
14609  return _IMP_atom.show_molecular_hierarchy(*args)
14610 class CHARMMBond(object):
14611  """Proxy of C++ IMP::atom::CHARMMConnection<(2)> class"""
14612  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14613  __repr__ = _swig_repr
14614 
14615  def __init__(self, atoms):
14616  """__init__(IMP::atom::CHARMMConnection<(2)> self, IMP::Strings const & atoms) -> CHARMMBond"""
14617  this = _IMP_atom.new_CHARMMBond(atoms)
14618  try:
14619  self.this.append(this)
14620  except:
14621  self.this = this
14622 
14623  def get_endpoint(self, i):
14624  """get_endpoint(CHARMMBond self, unsigned int i) -> CHARMMBondEndpoint"""
14625  return _IMP_atom.CHARMMBond_get_endpoint(self, i)
14626 
14627 
14628  def get_contains_atom(self, name):
14629  """get_contains_atom(CHARMMBond self, std::string name) -> bool"""
14630  return _IMP_atom.CHARMMBond_get_contains_atom(self, name)
14631 
14632 
14633  def show(self, *args):
14634  """
14635  show(CHARMMBond self, _ostream out)
14636  show(CHARMMBond self)
14637  """
14638  return _IMP_atom.CHARMMBond_show(self, *args)
14639 
14640  __swig_destroy__ = _IMP_atom.delete_CHARMMBond
14641  __del__ = lambda self: None
14642 CHARMMBond_swigregister = _IMP_atom.CHARMMBond_swigregister
14643 CHARMMBond_swigregister(CHARMMBond)
14644 
14645 class CHARMMAngle(object):
14646  """Proxy of C++ IMP::atom::CHARMMConnection<(3)> class"""
14647  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14648  __repr__ = _swig_repr
14649 
14650  def __init__(self, atoms):
14651  """__init__(IMP::atom::CHARMMConnection<(3)> self, IMP::Strings const & atoms) -> CHARMMAngle"""
14652  this = _IMP_atom.new_CHARMMAngle(atoms)
14653  try:
14654  self.this.append(this)
14655  except:
14656  self.this = this
14657 
14658  def get_endpoint(self, i):
14659  """get_endpoint(CHARMMAngle self, unsigned int i) -> CHARMMBondEndpoint"""
14660  return _IMP_atom.CHARMMAngle_get_endpoint(self, i)
14661 
14662 
14663  def get_contains_atom(self, name):
14664  """get_contains_atom(CHARMMAngle self, std::string name) -> bool"""
14665  return _IMP_atom.CHARMMAngle_get_contains_atom(self, name)
14666 
14667 
14668  def show(self, *args):
14669  """
14670  show(CHARMMAngle self, _ostream out)
14671  show(CHARMMAngle self)
14672  """
14673  return _IMP_atom.CHARMMAngle_show(self, *args)
14674 
14675  __swig_destroy__ = _IMP_atom.delete_CHARMMAngle
14676  __del__ = lambda self: None
14677 CHARMMAngle_swigregister = _IMP_atom.CHARMMAngle_swigregister
14678 CHARMMAngle_swigregister(CHARMMAngle)
14679 
14680 
14681 def _get_native_overlap_cpp(m1, m2, threshold):
14682  """_get_native_overlap_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2, double threshold) -> double"""
14683  return _IMP_atom._get_native_overlap_cpp(m1, m2, threshold)
14684 
14685 def _get_drmsd_cpp(m0, m1):
14686  """_get_drmsd_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1) -> double"""
14687  return _IMP_atom._get_drmsd_cpp(m0, m1)
14688 
14689 def _get_drmsd_Q_cpp(m0, m1, threshold):
14690  """_get_drmsd_Q_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, double threshold) -> double"""
14691  return _IMP_atom._get_drmsd_Q_cpp(m0, m1, threshold)
14692 
14693 def _get_drms_cpp(m1, m2):
14694  """_get_drms_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2) -> double"""
14695  return _IMP_atom._get_drms_cpp(m1, m2)
14696 
14697 def _get_rigid_bodies_drms_cpp(m1, m2, ranges):
14698  """_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"""
14699  return _IMP_atom._get_rigid_bodies_drms_cpp(m1, m2, ranges)
14700 
14701 def get_native_overlap(a, b, d):
14702  va= [IMP.algebra.get_vector(x) for x in a]
14703  vb= [IMP.algebra.get_vector(x) for x in b]
14704  return _get_native_overlap_cpp(va, vb, d)
14705 
14706 def get_drmsd(a, b):
14707  va= [IMP.algebra.get_vector(x) for x in a]
14708  vb= [IMP.algebra.get_vector(x) for x in b]
14709  return _get_drmsd_cpp(va, vb)
14710 
14711 def get_drms(a, b):
14712  va= [IMP.algebra.get_vector(x) for x in a]
14713  vb= [IMP.algebra.get_vector(x) for x in b]
14714  return _get_drms_cpp(va, vb)
14715 
14716 def get_drmsd_Q(a, b, t):
14717  va= [IMP.algebra.get_vector(x) for x in a]
14718  vb= [IMP.algebra.get_vector(x) for x in b]
14719  return _get_drmsd_Q_cpp(va, vb, t)
14720 
14721 def get_rigid_bodies_drms(a, b, ranges):
14722  va= [IMP.algebra.get_vector(x) for x in a]
14723  vb= [IMP.algebra.get_vector(x) for x in b]
14724 #rs = [IMP.IntRange(r[0],r[1]) for r in ranges]
14725  return _get_rigid_bodies_drms_cpp(va, vb, ranges)
14726 
14727 
14728 
14729 def get_module_version():
14730  """get_module_version() -> std::string const"""
14731  return _IMP_atom.get_module_version()
14732 
14733 def get_example_path(fname):
14734  """get_example_path(std::string fname) -> std::string"""
14735  return _IMP_atom.get_example_path(fname)
14736 
14737 def get_data_path(fname):
14738  """get_data_path(std::string fname) -> std::string"""
14739  return _IMP_atom.get_data_path(fname)
14740 
14741 from . import _version_check
14742 _version_check.check_version(get_module_version())
14743 __version__ = get_module_version()
14744 
14745 
14746 
A base class for geometry contained in particles.
A base class for modifiers of ParticlesTemp.
AtomType add_atom_type(std::string name, Element e)
Create a new AtomType.
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].
double get_volume_from_residue_type(ResidueType rt)
Return an estimate for the volume of a given residue.
Hierarchy read_pdb_or_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the PDB or mmCIF file.
Definition: mmcif.h:40
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:42
A shared container for Pairs.
Definition: PairContainer.h:37
CHARMMParameters * get_heavy_atom_CHARMM_parameters()
double get_einstein_rotational_diffusion_coefficient(double r, double temp=-1)
Hierarchy read_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the mmCIF file.
Float get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2)
Compares the secondary structure probabilities of two residues.
double get_rigid_bodies_drms(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2, const IMP::IntRanges &ranges)
DRMS between two sets of rigid bodies.
Chain get_chain(Hierarchy h)
Get the containing chain or Chain() if there is none.
CheckLevel get_check_level()
Get the current audit mode.
Definition: exception.h: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)
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)
Hierarchies read_multimodel_pdb_or_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all models from the PDB or mmCIF file.
Definition: mmcif.h:60
double get_pairwise_rmsd_score(const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2)
Measure the RMSD between two placements of the same set of points.
double get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom)
Convert force from kcal/mol/A to femtonewtons.
Basic functionality that is expected to be used by a wide variety of IMP users.
Abstract predicate function.
Definition: PairPredicate.h:31
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Hierarchies read_multimodel_pdb(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Residue get_residue(Atom d, bool nothrow=false)
Return the Residue containing this atom.
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
Abstract class to implement hierarchical methods.
Definition: Refiner.h:34
void add_dope_score_data(atom::Hierarchy h)
Bond get_bond(Bonded a, Bonded b)
Get the bond between two particles.
std::string show_graphviz(Graph g)
Restraint * create_distance_restraint(const Selection &n0, const Selection &n1, double x0, double k, std::string name="Distance%1%")
Representation get_representation(Hierarchy h, bool nothrow=false)
Return the Representation object containing this hierarchy.
FloatPair get_placement_score(const core::XYZs &source, const core::XYZs &target)
Measure the difference between two placements of the same set of points.
void write_multimodel_pdb(const Hierarchies &mhd, TextOutput out)
int get_copy_index(Hierarchy h)
Walk up the hierarchy to find the current copy index.
A decorator for helping deal with a generalized hierarchy.
double get_maximum_time_step_estimate(BrownianDynamics *bd)
double get_diffusion_coefficient(const algebra::Vector3Ds &displacements, double dt)
double get_surface_area(const Geometry &)
Compute the surface area of any volumetric object.
double get_resolution(Model *m, ParticleIndex pi)
Estimate the resolution of the hierarchy as used by Representation.
double get_rmsd_transforming_first(const Transformation3D &tr, const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Calculate the root mean square deviation between two sets of 3D points.
Hierarchy create_simplified_assembly_from_volume(Hierarchy h, double resolution)
Output IMP model data in various file formats.
std::string get_chain_id(Hierarchy h)
Walk up the hierarchy to determine the chain id.
IMP::core::RigidBody create_rigid_body(const Hierarchies &h, std::string name=std::string("created rigid body"))
Rigidify a molecule or collection of molecules.
CHARMMParameters * get_all_atom_CHARMM_parameters()
Hierarchies get_leaves(const Selection &h)
double get_einstein_diffusion_coefficient(double r, double temp=-1)
double get_drmsd_Q(const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1, double threshold)
Definition: atom/distance.h:85
DensityMap * get_segment(DensityMap *map_to_segment, int nx_start, int nx_end, int ny_start, int ny_end, int nz_start, int nz_end)
Get a segment of the map according to xyz indexes.
Applies a PairScore to each Pair in a list.
Hierarchy get_next_residue(Residue rd)
Return the residue from the same chain with one higher index.
Restraint * create_connectivity_restraint(const Selections &s, double k, std::string name="Connectivity%1%")
Create a restraint connecting the selections.
void add_bonds(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
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