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IMP Reference Guide  2.9.0
The Integrative Modeling Platform
saxs/__init__.py
1 # This file was automatically generated by SWIG (http://www.swig.org).
2 # Version 3.0.10
3 #
4 # Do not make changes to this file unless you know what you are doing--modify
5 # the SWIG interface file instead.
6 
7 # This wrapper is part of IMP,
8 # Copyright 2007-2018 IMP Inventors. All rights reserved.
9 
10 from __future__ import print_function, division, absolute_import
11 
12 
13 
14 
15 from sys import version_info as _swig_python_version_info
16 if _swig_python_version_info >= (2, 7, 0):
17  def swig_import_helper():
18  import importlib
19  pkg = __name__.rpartition('.')[0]
20  mname = '.'.join((pkg, '_IMP_saxs')).lstrip('.')
21  try:
22  return importlib.import_module(mname)
23  except ImportError:
24  return importlib.import_module('_IMP_saxs')
25  _IMP_saxs = swig_import_helper()
26  del swig_import_helper
27 elif _swig_python_version_info >= (2, 6, 0):
28  def swig_import_helper():
29  from os.path import dirname
30  import imp
31  fp = None
32  try:
33  fp, pathname, description = imp.find_module('_IMP_saxs', [dirname(__file__)])
34  except ImportError:
35  import _IMP_saxs
36  return _IMP_saxs
37  if fp is not None:
38  try:
39  _mod = imp.load_module('_IMP_saxs', fp, pathname, description)
40  finally:
41  fp.close()
42  return _mod
43  _IMP_saxs = swig_import_helper()
44  del swig_import_helper
45 else:
46  import _IMP_saxs
47 del _swig_python_version_info
48 try:
49  _swig_property = property
50 except NameError:
51  pass # Python < 2.2 doesn't have 'property'.
52 
53 try:
54  import builtins as __builtin__
55 except ImportError:
56  import __builtin__
57 
58 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
59  if (name == "thisown"):
60  return self.this.own(value)
61  if (name == "this"):
62  if type(value).__name__ == 'SwigPyObject':
63  self.__dict__[name] = value
64  return
65  method = class_type.__swig_setmethods__.get(name, None)
66  if method:
67  return method(self, value)
68  if (not static):
69  object.__setattr__(self, name, value)
70  else:
71  raise AttributeError("You cannot add attributes to %s" % self)
72 
73 
74 def _swig_setattr(self, class_type, name, value):
75  return _swig_setattr_nondynamic(self, class_type, name, value, 0)
76 
77 
78 def _swig_getattr(self, class_type, name):
79  if (name == "thisown"):
80  return self.this.own()
81  method = class_type.__swig_getmethods__.get(name, None)
82  if method:
83  return method(self)
84  raise AttributeError("'%s' object has no attribute '%s'" % (class_type.__name__, name))
85 
86 
87 def _swig_repr(self):
88  try:
89  strthis = "proxy of " + self.this.__repr__()
90  except __builtin__.Exception:
91  strthis = ""
92  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
93 
94 
95 def _swig_setattr_nondynamic_method(set):
96  def set_attr(self, name, value):
97  if (name == "thisown"):
98  return self.this.own(value)
99  if hasattr(self, name) or (name == "this"):
100  set(self, name, value)
101  else:
102  raise AttributeError("You cannot add attributes to %s" % self)
103  return set_attr
104 
105 
106 try:
107  import weakref
108  weakref_proxy = weakref.proxy
109 except __builtin__.Exception:
110  weakref_proxy = lambda x: x
111 
112 
113 class IMP_SAXS_SwigPyIterator(object):
114  """Proxy of C++ swig::IMP_SAXS_SwigPyIterator class."""
115 
116  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
117 
118  def __init__(self, *args, **kwargs):
119  raise AttributeError("No constructor defined - class is abstract")
120  __repr__ = _swig_repr
121  __swig_destroy__ = _IMP_saxs.delete_IMP_SAXS_SwigPyIterator
122  __del__ = lambda self: None
123 
124  def value(self):
125  """value(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
126  return _IMP_saxs.IMP_SAXS_SwigPyIterator_value(self)
127 
128 
129  def incr(self, n=1):
130  """
131  incr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
132  incr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
133  """
134  return _IMP_saxs.IMP_SAXS_SwigPyIterator_incr(self, n)
135 
136 
137  def decr(self, n=1):
138  """
139  decr(IMP_SAXS_SwigPyIterator self, size_t n=1) -> IMP_SAXS_SwigPyIterator
140  decr(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator
141  """
142  return _IMP_saxs.IMP_SAXS_SwigPyIterator_decr(self, n)
143 
144 
145  def distance(self, x):
146  """distance(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t"""
147  return _IMP_saxs.IMP_SAXS_SwigPyIterator_distance(self, x)
148 
149 
150  def equal(self, x):
151  """equal(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
152  return _IMP_saxs.IMP_SAXS_SwigPyIterator_equal(self, x)
153 
154 
155  def copy(self):
156  """copy(IMP_SAXS_SwigPyIterator self) -> IMP_SAXS_SwigPyIterator"""
157  return _IMP_saxs.IMP_SAXS_SwigPyIterator_copy(self)
158 
159 
160  def next(self):
161  """next(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
162  return _IMP_saxs.IMP_SAXS_SwigPyIterator_next(self)
163 
164 
165  def __next__(self):
166  """__next__(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
167  return _IMP_saxs.IMP_SAXS_SwigPyIterator___next__(self)
168 
169 
170  def previous(self):
171  """previous(IMP_SAXS_SwigPyIterator self) -> PyObject *"""
172  return _IMP_saxs.IMP_SAXS_SwigPyIterator_previous(self)
173 
174 
175  def advance(self, n):
176  """advance(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
177  return _IMP_saxs.IMP_SAXS_SwigPyIterator_advance(self, n)
178 
179 
180  def __eq__(self, x):
181  """__eq__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
182  return _IMP_saxs.IMP_SAXS_SwigPyIterator___eq__(self, x)
183 
184 
185  def __ne__(self, x):
186  """__ne__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> bool"""
187  return _IMP_saxs.IMP_SAXS_SwigPyIterator___ne__(self, x)
188 
189 
190  def __iadd__(self, n):
191  """__iadd__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
192  return _IMP_saxs.IMP_SAXS_SwigPyIterator___iadd__(self, n)
193 
194 
195  def __isub__(self, n):
196  """__isub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
197  return _IMP_saxs.IMP_SAXS_SwigPyIterator___isub__(self, n)
198 
199 
200  def __add__(self, n):
201  """__add__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator"""
202  return _IMP_saxs.IMP_SAXS_SwigPyIterator___add__(self, n)
203 
204 
205  def __sub__(self, *args):
206  """
207  __sub__(IMP_SAXS_SwigPyIterator self, ptrdiff_t n) -> IMP_SAXS_SwigPyIterator
208  __sub__(IMP_SAXS_SwigPyIterator self, IMP_SAXS_SwigPyIterator x) -> ptrdiff_t
209  """
210  return _IMP_saxs.IMP_SAXS_SwigPyIterator___sub__(self, *args)
211 
212  def __iter__(self):
213  return self
214 IMP_SAXS_SwigPyIterator_swigregister = _IMP_saxs.IMP_SAXS_SwigPyIterator_swigregister
215 IMP_SAXS_SwigPyIterator_swigregister(IMP_SAXS_SwigPyIterator)
216 
217 
218 _value_types=[]
219 _object_types=[]
220 _raii_types=[]
221 _plural_types=[]
222 
223 IMP_DEBUG = _IMP_saxs.IMP_DEBUG
224 IMP_RELEASE = _IMP_saxs.IMP_RELEASE
225 IMP_SILENT = _IMP_saxs.IMP_SILENT
226 IMP_PROGRESS = _IMP_saxs.IMP_PROGRESS
227 IMP_TERSE = _IMP_saxs.IMP_TERSE
228 IMP_VERBOSE = _IMP_saxs.IMP_VERBOSE
229 IMP_MEMORY = _IMP_saxs.IMP_MEMORY
230 IMP_NONE = _IMP_saxs.IMP_NONE
231 IMP_USAGE = _IMP_saxs.IMP_USAGE
232 IMP_INTERNAL = _IMP_saxs.IMP_INTERNAL
233 IMP_KERNEL_HAS_LOG4CXX = _IMP_saxs.IMP_KERNEL_HAS_LOG4CXX
234 IMP_COMPILER_HAS_AUTO = _IMP_saxs.IMP_COMPILER_HAS_AUTO
235 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_saxs.IMP_COMPILER_HAS_DEBUG_VECTOR
236 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_saxs.IMP_COMPILER_HAS_UNIQUE_PTR
237 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_KERNEL_HAS_BOOST_RANDOM
238 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_saxs.IMP_KERNEL_HAS_GPERFTOOLS
239 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
240 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_saxs.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
241 IMPKERNEL_SHOW_WARNINGS = _IMP_saxs.IMPKERNEL_SHOW_WARNINGS
242 
243 import sys
244 class _DirectorObjects(object):
245  """@internal Simple class to keep references to director objects
246  to prevent premature deletion."""
247  def __init__(self):
248  self._objects = []
249  def register(self, obj):
250  """Take a reference to a director object; will only work for
251  refcounted C++ classes"""
252  if hasattr(obj, 'get_ref_count'):
253  self._objects.append(obj)
254  def cleanup(self):
255  """Only drop our reference and allow cleanup by Python if no other
256  Python references exist (we hold 3 references: one in self._objects,
257  one in x, and one in the argument list for getrefcount) *and* no
258  other C++ references exist (the Python object always holds one)"""
259  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
260  or x.get_ref_count() > 1]
261 # Do in two steps so the references are kept until the end of the
262 # function (deleting references may trigger a fresh call to this method)
263  self._objects = objs
264  def get_object_count(self):
265  """Get number of director objects (useful for testing only)"""
266  return len(self._objects)
267 _director_objects = _DirectorObjects()
268 
269 class _ostream(object):
270  """Proxy of C++ std::ostream class."""
271 
272  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
273 
274  def __init__(self, *args, **kwargs):
275  raise AttributeError("No constructor defined")
276  __repr__ = _swig_repr
277 
278  def write(self, osa_buf):
279  """write(_ostream self, char const * osa_buf)"""
280  return _IMP_saxs._ostream_write(self, osa_buf)
281 
282 _ostream_swigregister = _IMP_saxs._ostream_swigregister
283 _ostream_swigregister(_ostream)
284 
285 IMP_COMPILER_HAS_OVERRIDE = _IMP_saxs.IMP_COMPILER_HAS_OVERRIDE
286 IMP_COMPILER_HAS_FINAL = _IMP_saxs.IMP_COMPILER_HAS_FINAL
287 IMP_HAS_NOEXCEPT = _IMP_saxs.IMP_HAS_NOEXCEPT
288 IMP_C_OPEN_BINARY = _IMP_saxs.IMP_C_OPEN_BINARY
289 import IMP
290 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_FILESYSTEM
291 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
292 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CGAL_HAS_BOOST_RANDOM
293 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CGAL_HAS_BOOST_SYSTEM
294 IMPCGAL_SHOW_WARNINGS = _IMP_saxs.IMPCGAL_SHOW_WARNINGS
295 import IMP.cgal
296 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_IMP_CGAL
297 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
298 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
299 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_RANDOM
300 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ALGEBRA_HAS_BOOST_SYSTEM
301 IMP_ALGEBRA_HAS_CGAL = _IMP_saxs.IMP_ALGEBRA_HAS_CGAL
302 IMP_ALGEBRA_HAS_ANN = _IMP_saxs.IMP_ALGEBRA_HAS_ANN
303 IMPALGEBRA_SHOW_WARNINGS = _IMP_saxs.IMPALGEBRA_SHOW_WARNINGS
304 import IMP.algebra
305 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_IMP_CGAL
306 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
307 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
308 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_RANDOM
309 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_DISPLAY_HAS_BOOST_SYSTEM
310 IMP_DISPLAY_HAS_CGAL = _IMP_saxs.IMP_DISPLAY_HAS_CGAL
311 IMPDISPLAY_SHOW_WARNINGS = _IMP_saxs.IMPDISPLAY_SHOW_WARNINGS
312 import IMP.display
313 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
314 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
315 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
316 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
317 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
318 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_CGAL
319 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_saxs.IMP_SCORE_FUNCTOR_HAS_HDF5
320 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_saxs.IMPSCOREFUNCTOR_SHOW_WARNINGS
321 import IMP.score_functor
322 IMP_CORE_HAS_IMP_CGAL = _IMP_saxs.IMP_CORE_HAS_IMP_CGAL
323 IMP_CORE_HAS_IMP_KERNEL = _IMP_saxs.IMP_CORE_HAS_IMP_KERNEL
324 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_FILESYSTEM
325 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
326 IMP_CORE_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CORE_HAS_BOOST_RANDOM
327 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CORE_HAS_BOOST_SYSTEM
328 IMP_CORE_HAS_CGAL = _IMP_saxs.IMP_CORE_HAS_CGAL
329 IMP_CORE_HAS_HDF5 = _IMP_saxs.IMP_CORE_HAS_HDF5
330 IMPCORE_SHOW_WARNINGS = _IMP_saxs.IMPCORE_SHOW_WARNINGS
331 import IMP.core
332 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_saxs.IMP_CONTAINER_HAS_IMP_ALGEBRA
333 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_CGAL
334 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_saxs.IMP_CONTAINER_HAS_IMP_DISPLAY
335 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_saxs.IMP_CONTAINER_HAS_IMP_KERNEL
336 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
337 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
338 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
339 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_RANDOM
340 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_CONTAINER_HAS_BOOST_SYSTEM
341 IMP_CONTAINER_HAS_CGAL = _IMP_saxs.IMP_CONTAINER_HAS_CGAL
342 IMP_CONTAINER_HAS_HDF5 = _IMP_saxs.IMP_CONTAINER_HAS_HDF5
343 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_saxs.IMP_CONTAINER_HAS_PYTHON_IHM
344 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_saxs.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
345 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_saxs.IMP_CONTAINER_HAS_ROBIN_MAP
346 IMPCONTAINER_SHOW_WARNINGS = _IMP_saxs.IMPCONTAINER_SHOW_WARNINGS
347 import IMP.container
348 IMP_ATOM_HAS_IMP_CGAL = _IMP_saxs.IMP_ATOM_HAS_IMP_CGAL
349 IMP_ATOM_HAS_IMP_KERNEL = _IMP_saxs.IMP_ATOM_HAS_IMP_KERNEL
350 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
351 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
352 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_saxs.IMP_ATOM_HAS_BOOST_RANDOM
353 IMP_ATOM_HAS_BOOST_REGEX = _IMP_saxs.IMP_ATOM_HAS_BOOST_REGEX
354 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_ATOM_HAS_BOOST_SYSTEM
355 IMP_ATOM_HAS_CGAL = _IMP_saxs.IMP_ATOM_HAS_CGAL
356 IMP_ATOM_HAS_HDF5 = _IMP_saxs.IMP_ATOM_HAS_HDF5
357 IMP_ATOM_HAS_PYTHON_IHM = _IMP_saxs.IMP_ATOM_HAS_PYTHON_IHM
358 IMPATOM_SHOW_WARNINGS = _IMP_saxs.IMPATOM_SHOW_WARNINGS
359 IMP_ATOM_TYPE_INDEX = _IMP_saxs.IMP_ATOM_TYPE_INDEX
360 IMP_RESIDUE_TYPE_INDEX = _IMP_saxs.IMP_RESIDUE_TYPE_INDEX
361 IMP_HIERARCHY_TYPE_INDEX = _IMP_saxs.IMP_HIERARCHY_TYPE_INDEX
362 IMP_CHAIN_TYPE_INDEX = _IMP_saxs.IMP_CHAIN_TYPE_INDEX
363 import IMP.atom
364 IMP_SAXS_HAS_IMP_CGAL = _IMP_saxs.IMP_SAXS_HAS_IMP_CGAL
365 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_saxs.IMP_SAXS_HAS_IMP_CONTAINER
366 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_saxs.IMP_SAXS_HAS_IMP_DISPLAY
367 IMP_SAXS_HAS_IMP_KERNEL = _IMP_saxs.IMP_SAXS_HAS_IMP_KERNEL
368 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_saxs.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
369 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_FILESYSTEM
370 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_saxs.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
371 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_saxs.IMP_SAXS_HAS_BOOST_RANDOM
372 IMP_SAXS_HAS_BOOST_REGEX = _IMP_saxs.IMP_SAXS_HAS_BOOST_REGEX
373 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_saxs.IMP_SAXS_HAS_BOOST_SYSTEM
374 IMP_SAXS_HAS_CGAL = _IMP_saxs.IMP_SAXS_HAS_CGAL
375 IMP_SAXS_HAS_HDF5 = _IMP_saxs.IMP_SAXS_HAS_HDF5
376 IMP_SAXS_HAS_PYTHON_IHM = _IMP_saxs.IMP_SAXS_HAS_PYTHON_IHM
377 IMPSAXS_SHOW_WARNINGS = _IMP_saxs.IMPSAXS_SHOW_WARNINGS
378 class DistBase(object):
379  """Proxy of C++ std::vector<(double)> class."""
380 
381  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
382  __repr__ = _swig_repr
383 
384  def iterator(self):
385  """iterator(DistBase self) -> IMP_SAXS_SwigPyIterator"""
386  return _IMP_saxs.DistBase_iterator(self)
387 
388  def __iter__(self):
389  return self.iterator()
390 
391  def __nonzero__(self):
392  """__nonzero__(DistBase self) -> bool"""
393  return _IMP_saxs.DistBase___nonzero__(self)
394 
395 
396  def __bool__(self):
397  """__bool__(DistBase self) -> bool"""
398  return _IMP_saxs.DistBase___bool__(self)
399 
400 
401  def __len__(self):
402  """__len__(DistBase self) -> std::vector< double >::size_type"""
403  return _IMP_saxs.DistBase___len__(self)
404 
405 
406  def __getslice__(self, i, j):
407  """__getslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j) -> DistBase"""
408  return _IMP_saxs.DistBase___getslice__(self, i, j)
409 
410 
411  def __setslice__(self, *args):
412  """
413  __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)
414  __setslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j, DistBase v)
415  """
416  return _IMP_saxs.DistBase___setslice__(self, *args)
417 
418 
419  def __delslice__(self, i, j):
420  """__delslice__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::difference_type j)"""
421  return _IMP_saxs.DistBase___delslice__(self, i, j)
422 
423 
424  def __delitem__(self, *args):
425  """
426  __delitem__(DistBase self, std::vector< double >::difference_type i)
427  __delitem__(DistBase self, PySliceObject * slice)
428  """
429  return _IMP_saxs.DistBase___delitem__(self, *args)
430 
431 
432  def __getitem__(self, *args):
433  """
434  __getitem__(DistBase self, PySliceObject * slice) -> DistBase
435  __getitem__(DistBase self, std::vector< double >::difference_type i) -> std::vector< double >::value_type const &
436  """
437  return _IMP_saxs.DistBase___getitem__(self, *args)
438 
439 
440  def __setitem__(self, *args):
441  """
442  __setitem__(DistBase self, PySliceObject * slice, DistBase v)
443  __setitem__(DistBase self, PySliceObject * slice)
444  __setitem__(DistBase self, std::vector< double >::difference_type i, std::vector< double >::value_type const & x)
445  """
446  return _IMP_saxs.DistBase___setitem__(self, *args)
447 
448 
449  def pop(self):
450  """pop(DistBase self) -> std::vector< double >::value_type"""
451  return _IMP_saxs.DistBase_pop(self)
452 
453 
454  def append(self, x):
455  """append(DistBase self, std::vector< double >::value_type const & x)"""
456  return _IMP_saxs.DistBase_append(self, x)
457 
458 
459  def empty(self):
460  """empty(DistBase self) -> bool"""
461  return _IMP_saxs.DistBase_empty(self)
462 
463 
464  def size(self):
465  """size(DistBase self) -> std::vector< double >::size_type"""
466  return _IMP_saxs.DistBase_size(self)
467 
468 
469  def swap(self, v):
470  """swap(DistBase self, DistBase v)"""
471  return _IMP_saxs.DistBase_swap(self, v)
472 
473 
474  def begin(self):
475  """begin(DistBase self) -> std::vector< double >::iterator"""
476  return _IMP_saxs.DistBase_begin(self)
477 
478 
479  def end(self):
480  """end(DistBase self) -> std::vector< double >::iterator"""
481  return _IMP_saxs.DistBase_end(self)
482 
483 
484  def rbegin(self):
485  """rbegin(DistBase self) -> std::vector< double >::reverse_iterator"""
486  return _IMP_saxs.DistBase_rbegin(self)
487 
488 
489  def rend(self):
490  """rend(DistBase self) -> std::vector< double >::reverse_iterator"""
491  return _IMP_saxs.DistBase_rend(self)
492 
493 
494  def clear(self):
495  """clear(DistBase self)"""
496  return _IMP_saxs.DistBase_clear(self)
497 
498 
499  def get_allocator(self):
500  """get_allocator(DistBase self) -> std::vector< double >::allocator_type"""
501  return _IMP_saxs.DistBase_get_allocator(self)
502 
503 
504  def pop_back(self):
505  """pop_back(DistBase self)"""
506  return _IMP_saxs.DistBase_pop_back(self)
507 
508 
509  def erase(self, *args):
510  """
511  erase(DistBase self, std::vector< double >::iterator pos) -> std::vector< double >::iterator
512  erase(DistBase self, std::vector< double >::iterator first, std::vector< double >::iterator last) -> std::vector< double >::iterator
513  """
514  return _IMP_saxs.DistBase_erase(self, *args)
515 
516 
517  def __init__(self, *args):
518  """
519  __init__(std::vector<(double)> self) -> DistBase
520  __init__(std::vector<(double)> self, DistBase arg2) -> DistBase
521  __init__(std::vector<(double)> self, std::vector< double >::size_type size) -> DistBase
522  __init__(std::vector<(double)> self, std::vector< double >::size_type size, std::vector< double >::value_type const & value) -> DistBase
523  """
524  this = _IMP_saxs.new_DistBase(*args)
525  try:
526  self.this.append(this)
527  except __builtin__.Exception:
528  self.this = this
529 
530  def push_back(self, x):
531  """push_back(DistBase self, std::vector< double >::value_type const & x)"""
532  return _IMP_saxs.DistBase_push_back(self, x)
533 
534 
535  def front(self):
536  """front(DistBase self) -> std::vector< double >::value_type const &"""
537  return _IMP_saxs.DistBase_front(self)
538 
539 
540  def back(self):
541  """back(DistBase self) -> std::vector< double >::value_type const &"""
542  return _IMP_saxs.DistBase_back(self)
543 
544 
545  def assign(self, n, x):
546  """assign(DistBase self, std::vector< double >::size_type n, std::vector< double >::value_type const & x)"""
547  return _IMP_saxs.DistBase_assign(self, n, x)
548 
549 
550  def resize(self, *args):
551  """
552  resize(DistBase self, std::vector< double >::size_type new_size)
553  resize(DistBase self, std::vector< double >::size_type new_size, std::vector< double >::value_type const & x)
554  """
555  return _IMP_saxs.DistBase_resize(self, *args)
556 
557 
558  def insert(self, *args):
559  """
560  insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::value_type const & x) -> std::vector< double >::iterator
561  insert(DistBase self, std::vector< double >::iterator pos, std::vector< double >::size_type n, std::vector< double >::value_type const & x)
562  """
563  return _IMP_saxs.DistBase_insert(self, *args)
564 
565 
566  def reserve(self, n):
567  """reserve(DistBase self, std::vector< double >::size_type n)"""
568  return _IMP_saxs.DistBase_reserve(self, n)
569 
570 
571  def capacity(self):
572  """capacity(DistBase self) -> std::vector< double >::size_type"""
573  return _IMP_saxs.DistBase_capacity(self)
574 
575  __swig_destroy__ = _IMP_saxs.delete_DistBase
576  __del__ = lambda self: None
577 DistBase_swigregister = _IMP_saxs.DistBase_swigregister
578 DistBase_swigregister(DistBase)
579 
580 
581 _object_types.append("Profile")
582 
583 
584 def _object_cast_to_Profile(o):
585  """_object_cast_to_Profile(Object o) -> Profile"""
586  return _IMP_saxs._object_cast_to_Profile(o)
587 
588 _object_types.append("ChiScore")
589 
590 
591 def _object_cast_to_ChiScore(o):
592  """_object_cast_to_ChiScore(Object o) -> ChiScore"""
593  return _IMP_saxs._object_cast_to_ChiScore(o)
594 
595 _object_types.append("ChiScoreLog")
596 
597 
598 def _object_cast_to_ChiScoreLog(o):
599  """_object_cast_to_ChiScoreLog(Object o) -> ChiScoreLog"""
600  return _IMP_saxs._object_cast_to_ChiScoreLog(o)
601 ALL_ATOMS = _IMP_saxs.ALL_ATOMS
602 HEAVY_ATOMS = _IMP_saxs.HEAVY_ATOMS
603 CA_ATOMS = _IMP_saxs.CA_ATOMS
604 RESIDUES = _IMP_saxs.RESIDUES
605 class FormFactorTable(object):
606  """Proxy of C++ IMP::saxs::FormFactorTable class."""
607 
608  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
609  __repr__ = _swig_repr
610 
611  def __init__(self, *args):
612  """
613  __init__(IMP::saxs::FormFactorTable self) -> FormFactorTable
614  __init__(IMP::saxs::FormFactorTable self, std::string const & table_name, double min_q, double max_q, double delta_q) -> FormFactorTable
615  """
616  this = _IMP_saxs.new_FormFactorTable(*args)
617  try:
618  self.this.append(this)
619  except __builtin__.Exception:
620  self.this = this
621 
622  def get_form_factor(self, *args):
623  """
624  get_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
625  get_form_factor(FormFactorTable self, Particle p) -> double
626  """
627  return _IMP_saxs.FormFactorTable_get_form_factor(self, *args)
628 
629 
630  def get_vacuum_form_factor(self, *args):
631  """
632  get_vacuum_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
633  get_vacuum_form_factor(FormFactorTable self, Particle p) -> double
634  """
635  return _IMP_saxs.FormFactorTable_get_vacuum_form_factor(self, *args)
636 
637 
638  def get_dummy_form_factor(self, *args):
639  """
640  get_dummy_form_factor(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
641  get_dummy_form_factor(FormFactorTable self, Particle p) -> double
642  """
643  return _IMP_saxs.FormFactorTable_get_dummy_form_factor(self, *args)
644 
645 
646  def get_water_form_factor(self):
647  """get_water_form_factor(FormFactorTable self) -> double"""
648  return _IMP_saxs.FormFactorTable_get_water_form_factor(self)
649 
650 
651  def get_vacuum_water_form_factor(self):
652  """get_vacuum_water_form_factor(FormFactorTable self) -> double"""
653  return _IMP_saxs.FormFactorTable_get_vacuum_water_form_factor(self)
654 
655 
656  def get_dummy_water_form_factor(self):
657  """get_dummy_water_form_factor(FormFactorTable self) -> double"""
658  return _IMP_saxs.FormFactorTable_get_dummy_water_form_factor(self)
659 
660 
661  def get_form_factors(self, *args):
662  """
663  get_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
664  get_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
665  """
666  return _IMP_saxs.FormFactorTable_get_form_factors(self, *args)
667 
668 
669  def get_vacuum_form_factors(self, *args):
670  """
671  get_vacuum_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
672  get_vacuum_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
673  """
674  return _IMP_saxs.FormFactorTable_get_vacuum_form_factors(self, *args)
675 
676 
677  def get_dummy_form_factors(self, *args):
678  """
679  get_dummy_form_factors(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> IMP::Vector< double > const
680  get_dummy_form_factors(FormFactorTable self, Particle p) -> IMP::Vector< double > const &
681  """
682  return _IMP_saxs.FormFactorTable_get_dummy_form_factors(self, *args)
683 
684 
685  def get_water_form_factors(self):
686  """get_water_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
687  return _IMP_saxs.FormFactorTable_get_water_form_factors(self)
688 
689 
690  def get_water_vacuum_form_factors(self):
691  """get_water_vacuum_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
692  return _IMP_saxs.FormFactorTable_get_water_vacuum_form_factors(self)
693 
694 
695  def get_water_dummy_form_factors(self):
696  """get_water_dummy_form_factors(FormFactorTable self) -> IMP::Vector< double > const &"""
697  return _IMP_saxs.FormFactorTable_get_water_dummy_form_factors(self)
698 
699 
700  def get_radius(self, *args):
701  """
702  get_radius(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
703  get_radius(FormFactorTable self, Particle p) -> double
704  """
705  return _IMP_saxs.FormFactorTable_get_radius(self, *args)
706 
707 
708  def get_volume(self, *args):
709  """
710  get_volume(FormFactorTable self, Particle p, IMP::saxs::FormFactorType ff_type) -> double
711  get_volume(FormFactorTable self, Particle p) -> double
712  """
713  return _IMP_saxs.FormFactorTable_get_volume(self, *args)
714 
715 
716  def show(self, *args):
717  """
718  show(FormFactorTable self, _ostream out, std::string prefix)
719  show(FormFactorTable self, _ostream out)
720  show(FormFactorTable self)
721  """
722  return _IMP_saxs.FormFactorTable_show(self, *args)
723 
724  rho_ = _swig_property(_IMP_saxs.FormFactorTable_rho__get, _IMP_saxs.FormFactorTable_rho__set)
725  __swig_destroy__ = _IMP_saxs.delete_FormFactorTable
726  __del__ = lambda self: None
727 FormFactorTable_swigregister = _IMP_saxs.FormFactorTable_swigregister
728 FormFactorTable_swigregister(FormFactorTable)
729 cvar = _IMP_saxs.cvar
730 
731 
733  """get_default_form_factor_table() -> FormFactorTable"""
734  return _IMP_saxs.get_default_form_factor_table()
735 class Profile(IMP.Object):
736  """Proxy of C++ IMP::saxs::Profile class."""
737 
738  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
739 
740  def __init__(self, *args):
741  """
742  __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1) -> Profile
743  __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0) -> Profile
744  __init__(IMP::saxs::Profile self, std::string const & file_name, bool fit_file=False) -> Profile
745  __init__(IMP::saxs::Profile self, std::string const & file_name) -> Profile
746  __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5, double delta=0.005) -> Profile
747  __init__(IMP::saxs::Profile self, double qmin=0.0, double qmax=0.5) -> Profile
748  __init__(IMP::saxs::Profile self, double qmin=0.0) -> Profile
749  __init__(IMP::saxs::Profile self) -> Profile
750  """
751  this = _IMP_saxs.new_Profile(*args)
752  try:
753  self.this.append(this)
754  except __builtin__.Exception:
755  self.this = this
756 
757  def calculate_profile_partial(self, *args):
758  """
759  calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
760  calculate_profile_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
761  calculate_profile_partial(Profile self, IMP::Particles const & particles)
762  calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2, IMP::saxs::FormFactorType ff_type)
763  calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1, IMP::Vector< double > const & surface2)
764  calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::Vector< double > const & surface1)
765  calculate_profile_partial(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
766  """
767  return _IMP_saxs.Profile_calculate_profile_partial(self, *args)
768 
769 
770  def calculate_profile_reciprocal_partial(self, *args):
771  """
772  calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface, IMP::saxs::FormFactorType ff_type)
773  calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles, IMP::Vector< double > const & surface)
774  calculate_profile_reciprocal_partial(Profile self, IMP::Particles const & particles)
775  """
776  return _IMP_saxs.Profile_calculate_profile_reciprocal_partial(self, *args)
777 
778 
779  def calculate_profile(self, *args):
780  """
781  calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type, bool reciprocal=False)
782  calculate_profile(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type)
783  calculate_profile(Profile self, IMP::Particles const & particles)
784  calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2, IMP::saxs::FormFactorType ff_type)
785  calculate_profile(Profile self, IMP::Particles const & particles1, IMP::Particles const & particles2)
786  """
787  return _IMP_saxs.Profile_calculate_profile(self, *args)
788 
789 
790  def calculate_I0(self, *args):
791  """
792  calculate_I0(Profile self, IMP::Particles const & particles, IMP::saxs::FormFactorType ff_type) -> double
793  calculate_I0(Profile self, IMP::Particles const & particles) -> double
794  """
795  return _IMP_saxs.Profile_calculate_I0(self, *args)
796 
797 
798  def calculate_profile_constant_form_factor(self, particles, form_factor=1.0):
799  """
800  calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles, double form_factor=1.0)
801  calculate_profile_constant_form_factor(Profile self, IMP::Particles const & particles)
802  """
803  return _IMP_saxs.Profile_calculate_profile_constant_form_factor(self, particles, form_factor)
804 
805 
806  def calculate_profile_symmetric(self, *args):
807  """
808  calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n, IMP::saxs::FormFactorType ff_type)
809  calculate_profile_symmetric(Profile self, IMP::Particles const & particles, unsigned int n)
810  """
811  return _IMP_saxs.Profile_calculate_profile_symmetric(self, *args)
812 
813 
814  def profile_2_distribution(self, rd, max_distance):
815  """profile_2_distribution(Profile self, RadialDistributionFunction rd, double max_distance)"""
816  return _IMP_saxs.Profile_profile_2_distribution(self, rd, max_distance)
817 
818 
819  def distribution_2_profile(self, r_dist):
820  """distribution_2_profile(Profile self, RadialDistributionFunction r_dist)"""
821  return _IMP_saxs.Profile_distribution_2_profile(self, r_dist)
822 
823 
824  def resample(self, exp_profile, resampled_profile):
825  """resample(Profile self, Profile exp_profile, Profile resampled_profile)"""
826  return _IMP_saxs.Profile_resample(self, exp_profile, resampled_profile)
827 
828 
829  def downsample(self, downsampled_profile, point_number):
830  """downsample(Profile self, Profile downsampled_profile, unsigned int point_number)"""
831  return _IMP_saxs.Profile_downsample(self, downsampled_profile, point_number)
832 
833 
834  def radius_of_gyration(self, end_q_rg=1.3):
835  """
836  radius_of_gyration(Profile self, double end_q_rg=1.3) -> double
837  radius_of_gyration(Profile self) -> double
838  """
839  return _IMP_saxs.Profile_radius_of_gyration(self, end_q_rg)
840 
841 
842  def mean_intensity(self):
843  """mean_intensity(Profile self) -> double"""
844  return _IMP_saxs.Profile_mean_intensity(self)
845 
846 
847  def read_SAXS_file(self, file_name, fit_file=False, max_q=0.0, units=1):
848  """
849  read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0, int units=1)
850  read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False, double max_q=0.0)
851  read_SAXS_file(Profile self, std::string const & file_name, bool fit_file=False)
852  read_SAXS_file(Profile self, std::string const & file_name)
853  """
854  return _IMP_saxs.Profile_read_SAXS_file(self, file_name, fit_file, max_q, units)
855 
856 
857  def write_SAXS_file(self, file_name, max_q=0.0):
858  """
859  write_SAXS_file(Profile self, std::string const & file_name, double max_q=0.0)
860  write_SAXS_file(Profile self, std::string const & file_name)
861  """
862  return _IMP_saxs.Profile_write_SAXS_file(self, file_name, max_q)
863 
864 
865  def read_partial_profiles(self, file_name):
866  """read_partial_profiles(Profile self, std::string const & file_name)"""
867  return _IMP_saxs.Profile_read_partial_profiles(self, file_name)
868 
869 
870  def write_partial_profiles(self, file_name):
871  """write_partial_profiles(Profile self, std::string const & file_name)"""
872  return _IMP_saxs.Profile_write_partial_profiles(self, file_name)
873 
874 
875  def get_delta_q(self):
876  """get_delta_q(Profile self) -> double"""
877  return _IMP_saxs.Profile_get_delta_q(self)
878 
879 
880  def get_min_q(self):
881  """get_min_q(Profile self) -> double"""
882  return _IMP_saxs.Profile_get_min_q(self)
883 
884 
885  def get_max_q(self):
886  """get_max_q(Profile self) -> double"""
887  return _IMP_saxs.Profile_get_max_q(self)
888 
889 
890  def get_intensity(self, i):
891  """get_intensity(Profile self, unsigned int i) -> double"""
892  return _IMP_saxs.Profile_get_intensity(self, i)
893 
894 
895  def get_q(self, i):
896  """get_q(Profile self, unsigned int i) -> double"""
897  return _IMP_saxs.Profile_get_q(self, i)
898 
899 
900  def get_error(self, i):
901  """get_error(Profile self, unsigned int i) -> double"""
902  return _IMP_saxs.Profile_get_error(self, i)
903 
904 
905  def get_weight(self, i):
906  """get_weight(Profile self, unsigned int i) -> double"""
907  return _IMP_saxs.Profile_get_weight(self, i)
908 
909 
910  def get_qs(self):
911  """get_qs(Profile self) -> Eigen::VectorXf const &"""
912  return _IMP_saxs.Profile_get_qs(self)
913 
914 
915  def get_intensities(self):
916  """get_intensities(Profile self) -> Eigen::VectorXf const &"""
917  return _IMP_saxs.Profile_get_intensities(self)
918 
919 
920  def get_errors(self):
921  """get_errors(Profile self) -> Eigen::VectorXf const &"""
922  return _IMP_saxs.Profile_get_errors(self)
923 
924 
925  def get_average_radius(self):
926  """get_average_radius(Profile self) -> double"""
927  return _IMP_saxs.Profile_get_average_radius(self)
928 
929 
930  def size(self):
931  """size(Profile self) -> unsigned int"""
932  return _IMP_saxs.Profile_size(self)
933 
934 
935  def is_uniform_sampling(self):
936  """is_uniform_sampling(Profile self) -> bool"""
937  return _IMP_saxs.Profile_is_uniform_sampling(self)
938 
939 
940  def is_partial_profile(self):
941  """is_partial_profile(Profile self) -> bool"""
942  return _IMP_saxs.Profile_is_partial_profile(self)
943 
944 
945  def get_name(self):
946  """get_name(Profile self) -> std::string"""
947  return _IMP_saxs.Profile_get_name(self)
948 
949 
950  def get_id(self):
951  """get_id(Profile self) -> unsigned int"""
952  return _IMP_saxs.Profile_get_id(self)
953 
954 
955  def set_qs(self, q):
956  """set_qs(Profile self, Eigen::VectorXf const & q)"""
957  return _IMP_saxs.Profile_set_qs(self, q)
958 
959 
960  def set_intensities(self, i):
961  """set_intensities(Profile self, Eigen::VectorXf const & i)"""
962  return _IMP_saxs.Profile_set_intensities(self, i)
963 
964 
965  def set_errors(self, e):
966  """set_errors(Profile self, Eigen::VectorXf const & e)"""
967  return _IMP_saxs.Profile_set_errors(self, e)
968 
969 
970  def set_intensity(self, i, iq):
971  """set_intensity(Profile self, unsigned int i, double iq)"""
972  return _IMP_saxs.Profile_set_intensity(self, i, iq)
973 
974 
975  def set_ff_table(self, ff_table):
976  """set_ff_table(Profile self, FormFactorTable ff_table)"""
977  return _IMP_saxs.Profile_set_ff_table(self, ff_table)
978 
979 
980  def set_average_radius(self, r):
981  """set_average_radius(Profile self, double r)"""
982  return _IMP_saxs.Profile_set_average_radius(self, r)
983 
984 
985  def set_average_volume(self, v):
986  """set_average_volume(Profile self, double v)"""
987  return _IMP_saxs.Profile_set_average_volume(self, v)
988 
989 
990  def set_name(self, name):
991  """set_name(Profile self, std::string name)"""
992  return _IMP_saxs.Profile_set_name(self, name)
993 
994 
995  def set_id(self, id):
996  """set_id(Profile self, unsigned int id)"""
997  return _IMP_saxs.Profile_set_id(self, id)
998 
999 
1000  def set_beam_profile(self, beam_profile_file):
1001  """set_beam_profile(Profile self, std::string beam_profile_file)"""
1002  return _IMP_saxs.Profile_set_beam_profile(self, beam_profile_file)
1003 
1004 
1005  def add_errors(self):
1006  """add_errors(Profile self)"""
1007  return _IMP_saxs.Profile_add_errors(self)
1008 
1009 
1010  def add_noise(self, percentage=0.03):
1011  """
1012  add_noise(Profile self, double percentage=0.03)
1013  add_noise(Profile self)
1014  """
1015  return _IMP_saxs.Profile_add_noise(self, percentage)
1016 
1017 
1018  def sum_partial_profiles(self, c1, c2, check_cashed=True):
1019  """
1020  sum_partial_profiles(Profile self, double c1, double c2, bool check_cashed=True)
1021  sum_partial_profiles(Profile self, double c1, double c2)
1022  """
1023  return _IMP_saxs.Profile_sum_partial_profiles(self, c1, c2, check_cashed)
1024 
1025 
1026  def add(self, *args):
1027  """
1028  add(Profile self, Profile other_profile, double weight=1.0)
1029  add(Profile self, Profile other_profile)
1030  add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1031  add(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1032  """
1033  return _IMP_saxs.Profile_add(self, *args)
1034 
1035 
1036  def add_partial_profiles(self, *args):
1037  """
1038  add_partial_profiles(Profile self, Profile other_profile, double weight=1.0)
1039  add_partial_profiles(Profile self, Profile other_profile)
1040  add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles, IMP::Vector< double > const & weights)
1041  add_partial_profiles(Profile self, IMP::Vector< IMP::saxs::Profile * > const & profiles)
1042  """
1043  return _IMP_saxs.Profile_add_partial_profiles(self, *args)
1044 
1045 
1046  def background_adjust(self, start_q):
1047  """background_adjust(Profile self, double start_q)"""
1048  return _IMP_saxs.Profile_background_adjust(self, start_q)
1049 
1050 
1051  def scale(self, c):
1052  """scale(Profile self, double c)"""
1053  return _IMP_saxs.Profile_scale(self, c)
1054 
1055 
1056  def offset(self, c):
1057  """offset(Profile self, double c)"""
1058  return _IMP_saxs.Profile_offset(self, c)
1059 
1060 
1061  def copy_errors(self, exp_profile):
1062  """copy_errors(Profile self, Profile exp_profile)"""
1063  return _IMP_saxs.Profile_copy_errors(self, exp_profile)
1064 
1065 
1066  def get_version_info(self):
1067  """get_version_info(Profile self) -> VersionInfo"""
1068  return _IMP_saxs.Profile_get_version_info(self)
1069 
1070 
1071  def __str__(self):
1072  """__str__(Profile self) -> std::string"""
1073  return _IMP_saxs.Profile___str__(self)
1074 
1075 
1076  def __repr__(self):
1077  """__repr__(Profile self) -> std::string"""
1078  return _IMP_saxs.Profile___repr__(self)
1079 
1080 
1081  @staticmethod
1082  def get_from(o):
1083  return _object_cast_to_Profile(o)
1084 
1085 Profile_swigregister = _IMP_saxs.Profile_swigregister
1086 Profile_swigregister(Profile)
1087 Profile.modulation_function_parameter_ = _IMP_saxs.cvar.Profile_modulation_function_parameter_
1088 
1089 class FitParameters(object):
1090  """Proxy of C++ IMP::saxs::FitParameters class."""
1091 
1092  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1093  __repr__ = _swig_repr
1094 
1095  def __init__(self, *args):
1096  """
1097  __init__(IMP::saxs::FitParameters self) -> FitParameters
1098  __init__(IMP::saxs::FitParameters self, double chi_square, double c1, double c2, double c, double o) -> FitParameters
1099  __init__(IMP::saxs::FitParameters self, double chi_square, double c1, double c2) -> FitParameters
1100  """
1101  this = _IMP_saxs.new_FitParameters(*args)
1102  try:
1103  self.this.append(this)
1104  except __builtin__.Exception:
1105  self.this = this
1106 
1107  def get_score(self):
1108  """get_score(FitParameters self) -> double"""
1109  return _IMP_saxs.FitParameters_get_score(self)
1110 
1111 
1112  def get_chi_square(self):
1113  """get_chi_square(FitParameters self) -> double"""
1114  return _IMP_saxs.FitParameters_get_chi_square(self)
1115 
1116 
1117  def get_c1(self):
1118  """get_c1(FitParameters self) -> double"""
1119  return _IMP_saxs.FitParameters_get_c1(self)
1120 
1121 
1122  def get_c2(self):
1123  """get_c2(FitParameters self) -> double"""
1124  return _IMP_saxs.FitParameters_get_c2(self)
1125 
1126 
1127  def get_scale(self):
1128  """get_scale(FitParameters self) -> double"""
1129  return _IMP_saxs.FitParameters_get_scale(self)
1130 
1131 
1132  def get_offset(self):
1133  """get_offset(FitParameters self) -> double"""
1134  return _IMP_saxs.FitParameters_get_offset(self)
1135 
1136 
1137  def get_default_chi_square(self):
1138  """get_default_chi_square(FitParameters self) -> double"""
1139  return _IMP_saxs.FitParameters_get_default_chi_square(self)
1140 
1141 
1142  def get_pdb_file_name(self):
1143  """get_pdb_file_name(FitParameters self) -> std::string"""
1144  return _IMP_saxs.FitParameters_get_pdb_file_name(self)
1145 
1146 
1147  def get_profile_file_name(self):
1148  """get_profile_file_name(FitParameters self) -> std::string"""
1149  return _IMP_saxs.FitParameters_get_profile_file_name(self)
1150 
1151 
1152  def get_mol_index(self):
1153  """get_mol_index(FitParameters self) -> int"""
1154  return _IMP_saxs.FitParameters_get_mol_index(self)
1155 
1156 
1157  def set_score(self, score):
1158  """set_score(FitParameters self, double score)"""
1159  return _IMP_saxs.FitParameters_set_score(self, score)
1160 
1161 
1162  def set_chi_square(self, chi_square):
1163  """set_chi_square(FitParameters self, double chi_square)"""
1164  return _IMP_saxs.FitParameters_set_chi_square(self, chi_square)
1165 
1166 
1167  def set_default_chi_square(self, chi_square):
1168  """set_default_chi_square(FitParameters self, double chi_square)"""
1169  return _IMP_saxs.FitParameters_set_default_chi_square(self, chi_square)
1170 
1171 
1172  def set_profile_file_name(self, file_name):
1173  """set_profile_file_name(FitParameters self, std::string file_name)"""
1174  return _IMP_saxs.FitParameters_set_profile_file_name(self, file_name)
1175 
1176 
1177  def set_pdb_file_name(self, file_name):
1178  """set_pdb_file_name(FitParameters self, std::string file_name)"""
1179  return _IMP_saxs.FitParameters_set_pdb_file_name(self, file_name)
1180 
1181 
1182  def set_mol_index(self, index):
1183  """set_mol_index(FitParameters self, int index)"""
1184  return _IMP_saxs.FitParameters_set_mol_index(self, index)
1185 
1186 
1187  def show(self, s):
1188  """show(FitParameters self, _ostream s)"""
1189  return _IMP_saxs.FitParameters_show(self, s)
1190 
1191  __swig_destroy__ = _IMP_saxs.delete_FitParameters
1192  __del__ = lambda self: None
1193 FitParameters_swigregister = _IMP_saxs.FitParameters_swigregister
1194 FitParameters_swigregister(FitParameters)
1195 
1196 class WeightedFitParameters(FitParameters):
1197  """Proxy of C++ IMP::saxs::WeightedFitParameters class."""
1198 
1199  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1200  __repr__ = _swig_repr
1201 
1202  def __init__(self, *args):
1203  """
1204  __init__(IMP::saxs::WeightedFitParameters self) -> WeightedFitParameters
1205  __init__(IMP::saxs::WeightedFitParameters self, double chi_square, double c1, double c2, IMP::Vector< double > const & weights) -> WeightedFitParameters
1206  """
1207  this = _IMP_saxs.new_WeightedFitParameters(*args)
1208  try:
1209  self.this.append(this)
1210  except __builtin__.Exception:
1211  self.this = this
1212 
1213  def get_weights(self):
1214  """get_weights(WeightedFitParameters self) -> IMP::Vector< double > const &"""
1215  return _IMP_saxs.WeightedFitParameters_get_weights(self)
1216 
1217 
1218  def set_weights(self, weights):
1219  """set_weights(WeightedFitParameters self, IMP::Vector< double > const & weights)"""
1220  return _IMP_saxs.WeightedFitParameters_set_weights(self, weights)
1221 
1222 
1223  def show(self, s):
1224  """show(WeightedFitParameters self, _ostream s)"""
1225  return _IMP_saxs.WeightedFitParameters_show(self, s)
1226 
1227  __swig_destroy__ = _IMP_saxs.delete_WeightedFitParameters
1228  __del__ = lambda self: None
1229 WeightedFitParameters_swigregister = _IMP_saxs.WeightedFitParameters_swigregister
1230 WeightedFitParameters_swigregister(WeightedFitParameters)
1231 
1232 class ChiScore(IMP.Object):
1233  """Proxy of C++ IMP::saxs::ChiScore class."""
1234 
1235  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1236 
1237  def __init__(self):
1238  """__init__(IMP::saxs::ChiScore self) -> ChiScore"""
1239  this = _IMP_saxs.new_ChiScore()
1240  try:
1241  self.this.append(this)
1242  except __builtin__.Exception:
1243  self.this = this
1244 
1245  def compute_score(self, exp_profile, model_profile, use_offset=False):
1246  """
1247  compute_score(ChiScore self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1248  compute_score(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1249  """
1250  return _IMP_saxs.ChiScore_compute_score(self, exp_profile, model_profile, use_offset)
1251 
1252 
1253  def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1254  """
1255  compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1256  compute_scale_factor(ChiScore self, Profile exp_profile, Profile model_profile) -> double
1257  """
1258  return _IMP_saxs.ChiScore_compute_scale_factor(self, exp_profile, model_profile, offset)
1259 
1260 
1261  def compute_offset(self, exp_profile, model_profile):
1262  """compute_offset(ChiScore self, Profile exp_profile, Profile model_profile) -> double"""
1263  return _IMP_saxs.ChiScore_compute_offset(self, exp_profile, model_profile)
1264 
1265 
1266  def get_version_info(self):
1267  """get_version_info(ChiScore self) -> VersionInfo"""
1268  return _IMP_saxs.ChiScore_get_version_info(self)
1269 
1270 
1271  def __str__(self):
1272  """__str__(ChiScore self) -> std::string"""
1273  return _IMP_saxs.ChiScore___str__(self)
1274 
1275 
1276  def __repr__(self):
1277  """__repr__(ChiScore self) -> std::string"""
1278  return _IMP_saxs.ChiScore___repr__(self)
1279 
1280 
1281  @staticmethod
1282  def get_from(o):
1283  return _object_cast_to_ChiScore(o)
1284 
1285 ChiScore_swigregister = _IMP_saxs.ChiScore_swigregister
1286 ChiScore_swigregister(ChiScore)
1287 
1288 class ChiScoreLog(IMP.Object):
1289  """Proxy of C++ IMP::saxs::ChiScoreLog class."""
1290 
1291  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1292 
1293  def __init__(self):
1294  """__init__(IMP::saxs::ChiScoreLog self) -> ChiScoreLog"""
1295  this = _IMP_saxs.new_ChiScoreLog()
1296  try:
1297  self.this.append(this)
1298  except __builtin__.Exception:
1299  self.this = this
1300 
1301  def compute_score(self, *args):
1302  """
1303  compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, bool use_offset=False) -> double
1304  compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1305  compute_score(ChiScoreLog self, Profile exp_profile, Profile model_profile, double min_q, double max_q) -> double
1306  """
1307  return _IMP_saxs.ChiScoreLog_compute_score(self, *args)
1308 
1309 
1310  def compute_scale_factor(self, exp_profile, model_profile, offset=0.0):
1311  """
1312  compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile, double offset=0.0) -> double
1313  compute_scale_factor(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double
1314  """
1315  return _IMP_saxs.ChiScoreLog_compute_scale_factor(self, exp_profile, model_profile, offset)
1316 
1317 
1318  def compute_offset(self, exp_profile, model_profile):
1319  """compute_offset(ChiScoreLog self, Profile exp_profile, Profile model_profile) -> double"""
1320  return _IMP_saxs.ChiScoreLog_compute_offset(self, exp_profile, model_profile)
1321 
1322 
1323  def get_version_info(self):
1324  """get_version_info(ChiScoreLog self) -> VersionInfo"""
1325  return _IMP_saxs.ChiScoreLog_get_version_info(self)
1326 
1327 
1328  def __str__(self):
1329  """__str__(ChiScoreLog self) -> std::string"""
1330  return _IMP_saxs.ChiScoreLog___str__(self)
1331 
1332 
1333  def __repr__(self):
1334  """__repr__(ChiScoreLog self) -> std::string"""
1335  return _IMP_saxs.ChiScoreLog___repr__(self)
1336 
1337 
1338  @staticmethod
1339  def get_from(o):
1340  return _object_cast_to_ChiScoreLog(o)
1341 
1342 ChiScoreLog_swigregister = _IMP_saxs.ChiScoreLog_swigregister
1343 ChiScoreLog_swigregister(ChiScoreLog)
1344 
1345 class ProfileFitterChi(IMP.Object):
1346  """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> class."""
1347 
1348  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1349  __repr__ = _swig_repr
1350 
1351  def __init__(self, *args):
1352  """
1353  __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> ProfileFitterChi
1354  __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile, ChiScore sf) -> ProfileFitterChi
1355  """
1356  this = _IMP_saxs.new_ProfileFitterChi(*args)
1357  try:
1358  self.this.append(this)
1359  except __builtin__.Exception:
1360  self.this = this
1361 
1362  def compute_score(self, *args):
1363  """
1364  compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1365  compute_score(ProfileFitterChi self, Profile model_profile, bool use_offset=False) -> double
1366  compute_score(ProfileFitterChi self, Profile model_profile) -> double
1367  """
1368  return _IMP_saxs.ProfileFitterChi_compute_score(self, *args)
1369 
1370 
1371  def fit_profile(self, *args):
1372  """
1373  fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1374  fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1375  fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1376  fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1377  fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1378  fit_profile(ProfileFitterChi self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1379  fit_profile(ProfileFitterChi self, Profile partial_profile) -> FitParameters
1380  """
1381  return _IMP_saxs.ProfileFitterChi_fit_profile(self, *args)
1382 
1383 
1384  def compute_scale_factor(self, model_profile, offset=0.0):
1385  """
1386  compute_scale_factor(ProfileFitterChi self, Profile model_profile, double offset=0.0) -> double
1387  compute_scale_factor(ProfileFitterChi self, Profile model_profile) -> double
1388  """
1389  return _IMP_saxs.ProfileFitterChi_compute_scale_factor(self, model_profile, offset)
1390 
1391 
1392  def compute_offset(self, model_profile):
1393  """compute_offset(ProfileFitterChi self, Profile model_profile) -> double"""
1394  return _IMP_saxs.ProfileFitterChi_compute_offset(self, model_profile)
1395 
1396 
1397  def resample(self, model_profile, resampled_profile):
1398  """resample(ProfileFitterChi self, Profile model_profile, Profile resampled_profile)"""
1399  return _IMP_saxs.ProfileFitterChi_resample(self, model_profile, resampled_profile)
1400 
1401 
1402  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1403  """
1404  write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1405  write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1406  write_SAXS_fit_file(ProfileFitterChi self, std::string const & file_name, Profile model_profile, double const chi_square)
1407  """
1408  return _IMP_saxs.ProfileFitterChi_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1409 
1410  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChi
1411  __del__ = lambda self: None
1412 ProfileFitterChi_swigregister = _IMP_saxs.ProfileFitterChi_swigregister
1413 ProfileFitterChi_swigregister(ProfileFitterChi)
1414 
1415 class WeightedProfileFitterChi(ProfileFitterChi):
1416  """Proxy of C++ IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> class."""
1417 
1418  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1419  __repr__ = _swig_repr
1420 
1421  def __init__(self, exp_profile):
1422  """__init__(IMP::saxs::WeightedProfileFitter<(IMP::saxs::ChiScore)> self, Profile exp_profile) -> WeightedProfileFitterChi"""
1423  this = _IMP_saxs.new_WeightedProfileFitterChi(exp_profile)
1424  try:
1425  self.this.append(this)
1426  except __builtin__.Exception:
1427  self.this = this
1428 
1429  def compute_score(self, profiles, weights, use_offset=False, NNLS=True):
1430  """
1431  compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool use_offset=False, bool NNLS=True) -> double
1432  compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights, bool use_offset=False) -> double
1433  compute_score(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp const & profiles, IMP::Vector< double > & weights) -> double
1434  """
1435  return _IMP_saxs.WeightedProfileFitterChi_compute_score(self, profiles, weights, use_offset, NNLS)
1436 
1437 
1438  def fit_profile(self, partial_profiles, min_c1=0.95, max_c1=1.05, min_c2=-2.0, max_c2=4.0, use_offset=False):
1439  """
1440  fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> WeightedFitParameters
1441  fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> WeightedFitParameters
1442  fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> WeightedFitParameters
1443  fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95, double max_c1=1.05) -> WeightedFitParameters
1444  fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, double min_c1=0.95) -> WeightedFitParameters
1445  fit_profile(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles) -> WeightedFitParameters
1446  """
1447  return _IMP_saxs.WeightedProfileFitterChi_fit_profile(self, partial_profiles, min_c1, max_c1, min_c2, max_c2, use_offset)
1448 
1449 
1450  def write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset=False):
1451  """
1452  write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name, bool use_offset=False)
1453  write_fit_file(WeightedProfileFitterChi self, IMP::saxs::ProfilesTemp partial_profiles, WeightedFitParameters fp, std::string const fit_file_name)
1454  """
1455  return _IMP_saxs.WeightedProfileFitterChi_write_fit_file(self, partial_profiles, fp, fit_file_name, use_offset)
1456 
1457  __swig_destroy__ = _IMP_saxs.delete_WeightedProfileFitterChi
1458  __del__ = lambda self: None
1459 WeightedProfileFitterChi_swigregister = _IMP_saxs.WeightedProfileFitterChi_swigregister
1460 WeightedProfileFitterChi_swigregister(WeightedProfileFitterChi)
1461 
1462 class Restraint(IMP.Restraint):
1463  """Proxy of C++ IMP::saxs::Restraint class."""
1464 
1465  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1466  __repr__ = _swig_repr
1467 
1468  def __init__(self, *args):
1469  """
1470  __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile, IMP::saxs::FormFactorType ff_type) -> Restraint
1471  __init__(IMP::saxs::Restraint self, IMP::Particles const & particles, Profile exp_profile) -> Restraint
1472  """
1473  this = _IMP_saxs.new_Restraint(*args)
1474  try:
1475  self.this.append(this)
1476  except __builtin__.Exception:
1477  self.this = this
1478 
1479  if self.__class__ != Restraint:
1480  _director_objects.register(self)
1481 
1482 
1483 
1484 
1485  def do_get_inputs(self):
1486  """do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
1487  return _IMP_saxs.Restraint_do_get_inputs(self)
1488 
1489 
1490  def get_version_info(self):
1491  """get_version_info(Restraint self) -> VersionInfo"""
1492  return _IMP_saxs.Restraint_get_version_info(self)
1493 
1494 Restraint_swigregister = _IMP_saxs.Restraint_swigregister
1495 Restraint_swigregister(Restraint)
1496 
1497 class RadiusOfGyrationRestraint(Restraint):
1498  """Proxy of C++ IMP::saxs::RadiusOfGyrationRestraint class."""
1499 
1500  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1501  __repr__ = _swig_repr
1502 
1503  def __init__(self, particles, exp_profile, end_q_rg=1.3):
1504  """
1505  __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile, double const end_q_rg=1.3) -> RadiusOfGyrationRestraint
1506  __init__(IMP::saxs::RadiusOfGyrationRestraint self, IMP::Particles const & particles, Profile exp_profile) -> RadiusOfGyrationRestraint
1507  """
1508  this = _IMP_saxs.new_RadiusOfGyrationRestraint(particles, exp_profile, end_q_rg)
1509  try:
1510  self.this.append(this)
1511  except __builtin__.Exception:
1512  self.this = this
1513 RadiusOfGyrationRestraint_swigregister = _IMP_saxs.RadiusOfGyrationRestraint_swigregister
1514 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1515 
1516 class FloatDistribution(DistBase):
1517  """Proxy of C++ IMP::saxs::Distribution<(double)> class."""
1518 
1519  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1520  __repr__ = _swig_repr
1521 
1522  def __init__(self, *args):
1523  """
1524  __init__(IMP::saxs::Distribution<(double)> self, double bin_size) -> FloatDistribution
1525  __init__(IMP::saxs::Distribution<(double)> self) -> FloatDistribution
1526  """
1527  this = _IMP_saxs.new_FloatDistribution(*args)
1528  try:
1529  self.this.append(this)
1530  except __builtin__.Exception:
1531  self.this = this
1532 
1533  def get_max_distance(self):
1534  """get_max_distance(FloatDistribution self) -> double"""
1535  return _IMP_saxs.FloatDistribution_get_max_distance(self)
1536 
1537 
1538  def get_bin_size(self):
1539  """get_bin_size(FloatDistribution self) -> double"""
1540  return _IMP_saxs.FloatDistribution_get_bin_size(self)
1541 
1542 
1543  def get_index_from_distance(self, dist):
1544  """get_index_from_distance(FloatDistribution self, double dist) -> unsigned int"""
1545  return _IMP_saxs.FloatDistribution_get_index_from_distance(self, dist)
1546 
1547 
1548  def get_distance_from_index(self, index):
1549  """get_distance_from_index(FloatDistribution self, unsigned int index) -> double"""
1550  return _IMP_saxs.FloatDistribution_get_distance_from_index(self, index)
1551 
1552  __swig_destroy__ = _IMP_saxs.delete_FloatDistribution
1553  __del__ = lambda self: None
1554 FloatDistribution_swigregister = _IMP_saxs.FloatDistribution_swigregister
1555 FloatDistribution_swigregister(FloatDistribution)
1556 
1557 class VectorDistribution(object):
1558  """Proxy of C++ IMP::saxs::Distribution<(IMP::algebra::Vector3D)> class."""
1559 
1560  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1561  __repr__ = _swig_repr
1562 
1563  def __init__(self, *args):
1564  """
1565  __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self, double bin_size) -> VectorDistribution
1566  __init__(IMP::saxs::Distribution<(IMP::algebra::Vector3D)> self) -> VectorDistribution
1567  """
1568  this = _IMP_saxs.new_VectorDistribution(*args)
1569  try:
1570  self.this.append(this)
1571  except __builtin__.Exception:
1572  self.this = this
1573 
1574  def get_max_distance(self):
1575  """get_max_distance(VectorDistribution self) -> double"""
1576  return _IMP_saxs.VectorDistribution_get_max_distance(self)
1577 
1578 
1579  def get_bin_size(self):
1580  """get_bin_size(VectorDistribution self) -> double"""
1581  return _IMP_saxs.VectorDistribution_get_bin_size(self)
1582 
1583 
1584  def get_index_from_distance(self, dist):
1585  """get_index_from_distance(VectorDistribution self, double dist) -> unsigned int"""
1586  return _IMP_saxs.VectorDistribution_get_index_from_distance(self, dist)
1587 
1588 
1589  def get_distance_from_index(self, index):
1590  """get_distance_from_index(VectorDistribution self, unsigned int index) -> double"""
1591  return _IMP_saxs.VectorDistribution_get_distance_from_index(self, index)
1592 
1593  __swig_destroy__ = _IMP_saxs.delete_VectorDistribution
1594  __del__ = lambda self: None
1595 VectorDistribution_swigregister = _IMP_saxs.VectorDistribution_swigregister
1596 VectorDistribution_swigregister(VectorDistribution)
1597 
1598 class RadialDistributionFunction(FloatDistribution):
1599  """Proxy of C++ IMP::saxs::RadialDistributionFunction class."""
1600 
1601  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1602  __repr__ = _swig_repr
1603 
1604  def __init__(self, *args):
1605  """
1606  __init__(IMP::saxs::RadialDistributionFunction self, double bin_size) -> RadialDistributionFunction
1607  __init__(IMP::saxs::RadialDistributionFunction self) -> RadialDistributionFunction
1608  __init__(IMP::saxs::RadialDistributionFunction self, std::string const & file_name) -> RadialDistributionFunction
1609  """
1610  this = _IMP_saxs.new_RadialDistributionFunction(*args)
1611  try:
1612  self.this.append(this)
1613  except __builtin__.Exception:
1614  self.this = this
1615 
1616  def scale(self, c):
1617  """scale(RadialDistributionFunction self, double c)"""
1618  return _IMP_saxs.RadialDistributionFunction_scale(self, c)
1619 
1620 
1621  def add(self, model_pr):
1622  """add(RadialDistributionFunction self, RadialDistributionFunction model_pr)"""
1623  return _IMP_saxs.RadialDistributionFunction_add(self, model_pr)
1624 
1625 
1626  def show(self, *args):
1627  """
1628  show(RadialDistributionFunction self, _ostream out)
1629  show(RadialDistributionFunction self)
1630  """
1631  return _IMP_saxs.RadialDistributionFunction_show(self, *args)
1632 
1633 
1634  def R_factor_score(self, *args):
1635  """
1636  R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1637  R_factor_score(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1638  """
1639  return _IMP_saxs.RadialDistributionFunction_R_factor_score(self, *args)
1640 
1641 
1642  def fit(self, *args):
1643  """
1644  fit(RadialDistributionFunction self, RadialDistributionFunction model_pr, std::string const & file_name) -> double
1645  fit(RadialDistributionFunction self, RadialDistributionFunction model_pr) -> double
1646  """
1647  return _IMP_saxs.RadialDistributionFunction_fit(self, *args)
1648 
1649 
1650  def normalize(self):
1651  """normalize(RadialDistributionFunction self)"""
1652  return _IMP_saxs.RadialDistributionFunction_normalize(self)
1653 
1654 
1655  def add_to_distribution(self, dist, value):
1656  """add_to_distribution(RadialDistributionFunction self, double dist, double value)"""
1657  return _IMP_saxs.RadialDistributionFunction_add_to_distribution(self, dist, value)
1658 
1659  __swig_destroy__ = _IMP_saxs.delete_RadialDistributionFunction
1660  __del__ = lambda self: None
1661 RadialDistributionFunction_swigregister = _IMP_saxs.RadialDistributionFunction_swigregister
1662 RadialDistributionFunction_swigregister(RadialDistributionFunction)
1663 
1664 class DeltaDistributionFunction(VectorDistribution):
1665  """Proxy of C++ IMP::saxs::DeltaDistributionFunction class."""
1666 
1667  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1668  __repr__ = _swig_repr
1669 
1670  def __init__(self, *args):
1671  """
1672  __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0, double bin_size) -> DeltaDistributionFunction
1673  __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles, double max_distance=0.0) -> DeltaDistributionFunction
1674  __init__(IMP::saxs::DeltaDistributionFunction self, IMP::Particles const & particles) -> DeltaDistributionFunction
1675  """
1676  this = _IMP_saxs.new_DeltaDistributionFunction(*args)
1677  try:
1678  self.this.append(this)
1679  except __builtin__.Exception:
1680  self.this = this
1681 
1682  def calculate_derivative_distribution(self, particle):
1683  """calculate_derivative_distribution(DeltaDistributionFunction self, Particle particle)"""
1684  return _IMP_saxs.DeltaDistributionFunction_calculate_derivative_distribution(self, particle)
1685 
1686 
1687  def show(self, *args):
1688  """
1689  show(DeltaDistributionFunction self, _ostream out, std::string prefix)
1690  show(DeltaDistributionFunction self, _ostream out)
1691  show(DeltaDistributionFunction self)
1692  """
1693  return _IMP_saxs.DeltaDistributionFunction_show(self, *args)
1694 
1695  __swig_destroy__ = _IMP_saxs.delete_DeltaDistributionFunction
1696  __del__ = lambda self: None
1697 DeltaDistributionFunction_swigregister = _IMP_saxs.DeltaDistributionFunction_swigregister
1698 DeltaDistributionFunction_swigregister(DeltaDistributionFunction)
1699 
1700 class SolventAccessibleSurface(object):
1701  """Proxy of C++ IMP::saxs::SolventAccessibleSurface class."""
1702 
1703  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1704  __repr__ = _swig_repr
1705 
1706  def get_solvent_accessibility(self, points, probe_radius=1.8, density=5.0):
1707  """
1708  get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8, double density=5.0) -> IMP::Vector< double >
1709  get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points, double probe_radius=1.8) -> IMP::Vector< double >
1710  get_solvent_accessibility(SolventAccessibleSurface self, IMP::core::XYZRs const & points) -> IMP::Vector< double >
1711  """
1712  return _IMP_saxs.SolventAccessibleSurface_get_solvent_accessibility(self, points, probe_radius, density)
1713 
1714 
1715  def __init__(self):
1716  """__init__(IMP::saxs::SolventAccessibleSurface self) -> SolventAccessibleSurface"""
1717  this = _IMP_saxs.new_SolventAccessibleSurface()
1718  try:
1719  self.this.append(this)
1720  except __builtin__.Exception:
1721  self.this = this
1722  __swig_destroy__ = _IMP_saxs.delete_SolventAccessibleSurface
1723  __del__ = lambda self: None
1724 SolventAccessibleSurface_swigregister = _IMP_saxs.SolventAccessibleSurface_swigregister
1725 SolventAccessibleSurface_swigregister(SolventAccessibleSurface)
1726 
1727 class ProfileFitterChiLog(IMP.Object):
1728  """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> class."""
1729 
1730  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1731  __repr__ = _swig_repr
1732 
1733  def __init__(self, *args):
1734  """
1735  __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile) -> ProfileFitterChiLog
1736  __init__(IMP::saxs::ProfileFitter<(IMP::saxs::ChiScoreLog)> self, Profile exp_profile, ChiScoreLog sf) -> ProfileFitterChiLog
1737  """
1738  this = _IMP_saxs.new_ProfileFitterChiLog(*args)
1739  try:
1740  self.this.append(this)
1741  except __builtin__.Exception:
1742  self.this = this
1743 
1744  def compute_score(self, *args):
1745  """
1746  compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1747  compute_score(ProfileFitterChiLog self, Profile model_profile, bool use_offset=False) -> double
1748  compute_score(ProfileFitterChiLog self, Profile model_profile) -> double
1749  """
1750  return _IMP_saxs.ProfileFitterChiLog_compute_score(self, *args)
1751 
1752 
1753  def fit_profile(self, *args):
1754  """
1755  fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1756  fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1757  fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1758  fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1759  fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1760  fit_profile(ProfileFitterChiLog self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1761  fit_profile(ProfileFitterChiLog self, Profile partial_profile) -> FitParameters
1762  """
1763  return _IMP_saxs.ProfileFitterChiLog_fit_profile(self, *args)
1764 
1765 
1766  def compute_scale_factor(self, model_profile, offset=0.0):
1767  """
1768  compute_scale_factor(ProfileFitterChiLog self, Profile model_profile, double offset=0.0) -> double
1769  compute_scale_factor(ProfileFitterChiLog self, Profile model_profile) -> double
1770  """
1771  return _IMP_saxs.ProfileFitterChiLog_compute_scale_factor(self, model_profile, offset)
1772 
1773 
1774  def compute_offset(self, model_profile):
1775  """compute_offset(ProfileFitterChiLog self, Profile model_profile) -> double"""
1776  return _IMP_saxs.ProfileFitterChiLog_compute_offset(self, model_profile)
1777 
1778 
1779  def resample(self, model_profile, resampled_profile):
1780  """resample(ProfileFitterChiLog self, Profile model_profile, Profile resampled_profile)"""
1781  return _IMP_saxs.ProfileFitterChiLog_resample(self, model_profile, resampled_profile)
1782 
1783 
1784  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1785  """
1786  write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1787  write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1788  write_SAXS_fit_file(ProfileFitterChiLog self, std::string const & file_name, Profile model_profile, double const chi_square)
1789  """
1790  return _IMP_saxs.ProfileFitterChiLog_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1791 
1792  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterChiLog
1793  __del__ = lambda self: None
1794 ProfileFitterChiLog_swigregister = _IMP_saxs.ProfileFitterChiLog_swigregister
1795 ProfileFitterChiLog_swigregister(ProfileFitterChiLog)
1796 
1797 class ProfileFitterRatioVolatility(IMP.Object):
1798  """Proxy of C++ IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> class."""
1799 
1800  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1801  __repr__ = _swig_repr
1802 
1803  def __init__(self, *args):
1804  """
1805  __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile) -> ProfileFitterRatioVolatility
1806  __init__(IMP::saxs::ProfileFitter<(IMP::saxs::RatioVolatilityScore)> self, Profile exp_profile, IMP::saxs::RatioVolatilityScore * sf) -> ProfileFitterRatioVolatility
1807  """
1808  this = _IMP_saxs.new_ProfileFitterRatioVolatility(*args)
1809  try:
1810  self.this.append(this)
1811  except __builtin__.Exception:
1812  self.this = this
1813 
1814  def compute_score(self, *args):
1815  """
1816  compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False, std::string const fit_file_name) -> double
1817  compute_score(ProfileFitterRatioVolatility self, Profile model_profile, bool use_offset=False) -> double
1818  compute_score(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1819  """
1820  return _IMP_saxs.ProfileFitterRatioVolatility_compute_score(self, *args)
1821 
1822 
1823  def fit_profile(self, *args):
1824  """
1825  fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False, std::string const fit_file_name) -> FitParameters
1826  fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0, bool use_offset=False) -> FitParameters
1827  fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0, double max_c2=4.0) -> FitParameters
1828  fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05, double min_c2=-2.0) -> FitParameters
1829  fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95, double max_c1=1.05) -> FitParameters
1830  fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile, double min_c1=0.95) -> FitParameters
1831  fit_profile(ProfileFitterRatioVolatility self, Profile partial_profile) -> FitParameters
1832  """
1833  return _IMP_saxs.ProfileFitterRatioVolatility_fit_profile(self, *args)
1834 
1835 
1836  def compute_scale_factor(self, model_profile, offset=0.0):
1837  """
1838  compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile, double offset=0.0) -> double
1839  compute_scale_factor(ProfileFitterRatioVolatility self, Profile model_profile) -> double
1840  """
1841  return _IMP_saxs.ProfileFitterRatioVolatility_compute_scale_factor(self, model_profile, offset)
1842 
1843 
1844  def compute_offset(self, model_profile):
1845  """compute_offset(ProfileFitterRatioVolatility self, Profile model_profile) -> double"""
1846  return _IMP_saxs.ProfileFitterRatioVolatility_compute_offset(self, model_profile)
1847 
1848 
1849  def resample(self, model_profile, resampled_profile):
1850  """resample(ProfileFitterRatioVolatility self, Profile model_profile, Profile resampled_profile)"""
1851  return _IMP_saxs.ProfileFitterRatioVolatility_resample(self, model_profile, resampled_profile)
1852 
1853 
1854  def write_SAXS_fit_file(self, file_name, model_profile, chi_square, c=1, offset=0):
1855  """
1856  write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1, double const offset=0)
1857  write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square, double const c=1)
1858  write_SAXS_fit_file(ProfileFitterRatioVolatility self, std::string const & file_name, Profile model_profile, double const chi_square)
1859  """
1860  return _IMP_saxs.ProfileFitterRatioVolatility_write_SAXS_fit_file(self, file_name, model_profile, chi_square, c, offset)
1861 
1862  __swig_destroy__ = _IMP_saxs.delete_ProfileFitterRatioVolatility
1863  __del__ = lambda self: None
1864 ProfileFitterRatioVolatility_swigregister = _IMP_saxs.ProfileFitterRatioVolatility_swigregister
1865 ProfileFitterRatioVolatility_swigregister(ProfileFitterRatioVolatility)
1866 
1867 
1868 def get_module_version():
1869  """get_module_version() -> std::string const"""
1870  return _IMP_saxs.get_module_version()
1871 
1872 def get_example_path(fname):
1873  """get_example_path(std::string fname) -> std::string"""
1874  return _IMP_saxs.get_example_path(fname)
1875 
1876 def get_data_path(fname):
1877  """get_data_path(std::string fname) -> std::string"""
1878  return _IMP_saxs.get_data_path(fname)
1879 
1880 from . import _version_check
1881 _version_check.check_version(get_module_version())
1882 __version__ = get_module_version()
1883 
1884 
1885 
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
FormFactorTable * get_default_form_factor_table()
Composable functors to implement scores via compile-time composition.
double get_volume(const BoundingBoxD< D > &bb)
See BoundingBoxD.
Definition: BoundingBoxD.h:163
Common base class for heavy weight IMP objects.
Definition: Object.h:106
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
double radius_of_gyration(const Particles &particles)
compute radius_of_gyration
Definition: saxs/utility.h:74
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:54