10 from __future__
import print_function, division, absolute_import
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():
19 pkg = __name__.rpartition(
'.')[0]
20 mname =
'.'.join((pkg,
'_IMP_npctransport')).lstrip(
'.')
22 return importlib.import_module(mname)
24 return importlib.import_module(
'_IMP_npctransport')
25 _IMP_npctransport = 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
33 fp, pathname, description = imp.find_module(
'_IMP_npctransport', [dirname(__file__)])
35 import _IMP_npctransport
36 return _IMP_npctransport
39 _mod = imp.load_module(
'_IMP_npctransport', fp, pathname, description)
43 _IMP_npctransport = swig_import_helper()
44 del swig_import_helper
46 import _IMP_npctransport
47 del _swig_python_version_info
49 _swig_property = property
54 import builtins
as __builtin__
58 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
59 if (name ==
"thisown"):
60 return self.this.own(value)
62 if type(value).__name__ ==
'SwigPyObject':
63 self.__dict__[name] = value
65 method = class_type.__swig_setmethods__.get(name,
None)
67 return method(self, value)
69 object.__setattr__(self, name, value)
71 raise AttributeError(
"You cannot add attributes to %s" % self)
74 def _swig_setattr(self, class_type, name, value):
75 return _swig_setattr_nondynamic(self, class_type, name, value, 0)
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)
84 raise AttributeError(
"'%s' object has no attribute '%s'" % (class_type.__name__, name))
89 strthis =
"proxy of " + self.this.__repr__()
90 except __builtin__.Exception:
92 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
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)
102 raise AttributeError(
"You cannot add attributes to %s" % self)
108 weakref_proxy = weakref.proxy
109 except __builtin__.Exception:
110 weakref_proxy =
lambda x: x
113 class IMP_NPCTRANSPORT_SwigPyIterator(object):
114 """Proxy of C++ swig::IMP_NPCTRANSPORT_SwigPyIterator class."""
116 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
118 def __init__(self, *args, **kwargs):
119 raise AttributeError(
"No constructor defined - class is abstract")
120 __repr__ = _swig_repr
121 __swig_destroy__ = _IMP_npctransport.delete_IMP_NPCTRANSPORT_SwigPyIterator
122 __del__ =
lambda self:
None
125 """value(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
126 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_value(self)
131 incr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator
132 incr(IMP_NPCTRANSPORT_SwigPyIterator self) -> IMP_NPCTRANSPORT_SwigPyIterator
134 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_incr(self, n)
139 decr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator
140 decr(IMP_NPCTRANSPORT_SwigPyIterator self) -> IMP_NPCTRANSPORT_SwigPyIterator
142 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_decr(self, n)
145 def distance(self, x):
146 """distance(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t"""
147 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_distance(self, x)
151 """equal(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
152 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_equal(self, x)
156 """copy(IMP_NPCTRANSPORT_SwigPyIterator self) -> IMP_NPCTRANSPORT_SwigPyIterator"""
157 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_copy(self)
161 """next(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
162 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_next(self)
166 """__next__(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
167 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___next__(self)
171 """previous(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
172 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_previous(self)
175 def advance(self, n):
176 """advance(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
177 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_advance(self, n)
181 """__eq__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
182 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___eq__(self, x)
186 """__ne__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
187 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___ne__(self, x)
190 def __iadd__(self, n):
191 """__iadd__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
192 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___iadd__(self, n)
195 def __isub__(self, n):
196 """__isub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
197 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___isub__(self, n)
200 def __add__(self, n):
201 """__add__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
202 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___add__(self, n)
205 def __sub__(self, *args):
207 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator
208 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t
210 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___sub__(self, *args)
214 IMP_NPCTRANSPORT_SwigPyIterator_swigregister = _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_swigregister
215 IMP_NPCTRANSPORT_SwigPyIterator_swigregister(IMP_NPCTRANSPORT_SwigPyIterator)
223 IMP_DEBUG = _IMP_npctransport.IMP_DEBUG
224 IMP_RELEASE = _IMP_npctransport.IMP_RELEASE
225 IMP_SILENT = _IMP_npctransport.IMP_SILENT
226 IMP_PROGRESS = _IMP_npctransport.IMP_PROGRESS
227 IMP_TERSE = _IMP_npctransport.IMP_TERSE
228 IMP_VERBOSE = _IMP_npctransport.IMP_VERBOSE
229 IMP_MEMORY = _IMP_npctransport.IMP_MEMORY
230 IMP_NONE = _IMP_npctransport.IMP_NONE
231 IMP_USAGE = _IMP_npctransport.IMP_USAGE
232 IMP_INTERNAL = _IMP_npctransport.IMP_INTERNAL
233 IMP_KERNEL_HAS_LOG4CXX = _IMP_npctransport.IMP_KERNEL_HAS_LOG4CXX
234 IMP_COMPILER_HAS_AUTO = _IMP_npctransport.IMP_COMPILER_HAS_AUTO
235 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_npctransport.IMP_COMPILER_HAS_DEBUG_VECTOR
236 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_npctransport.IMP_COMPILER_HAS_UNIQUE_PTR
237 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_KERNEL_HAS_BOOST_RANDOM
238 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_npctransport.IMP_KERNEL_HAS_GPERFTOOLS
239 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
240 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
241 IMPKERNEL_SHOW_WARNINGS = _IMP_npctransport.IMPKERNEL_SHOW_WARNINGS
244 class _DirectorObjects(object):
245 """@internal Simple class to keep references to director objects
246 to prevent premature deletion."""
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)
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]
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()
269 class _ostream(object):
270 """Proxy of C++ std::ostream class."""
272 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
274 def __init__(self, *args, **kwargs):
275 raise AttributeError(
"No constructor defined")
276 __repr__ = _swig_repr
278 def write(self, osa_buf):
279 """write(_ostream self, char const * osa_buf)"""
280 return _IMP_npctransport._ostream_write(self, osa_buf)
282 _ostream_swigregister = _IMP_npctransport._ostream_swigregister
283 _ostream_swigregister(_ostream)
285 IMP_COMPILER_HAS_OVERRIDE = _IMP_npctransport.IMP_COMPILER_HAS_OVERRIDE
286 IMP_COMPILER_HAS_FINAL = _IMP_npctransport.IMP_COMPILER_HAS_FINAL
287 IMP_HAS_NOEXCEPT = _IMP_npctransport.IMP_HAS_NOEXCEPT
288 IMP_C_OPEN_BINARY = _IMP_npctransport.IMP_C_OPEN_BINARY
290 IMP_BENCHMARK_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_FILESYSTEM
291 IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS
292 IMP_BENCHMARK_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_RANDOM
293 IMP_BENCHMARK_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_SYSTEM
294 IMPBENCHMARK_SHOW_WARNINGS = _IMP_npctransport.IMPBENCHMARK_SHOW_WARNINGS
296 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_FILESYSTEM
297 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
298 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_RANDOM
299 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_SYSTEM
300 IMPCGAL_SHOW_WARNINGS = _IMP_npctransport.IMPCGAL_SHOW_WARNINGS
302 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_IMP_CGAL
303 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
304 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
305 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_RANDOM
306 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_SYSTEM
307 IMP_ALGEBRA_HAS_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_CGAL
308 IMP_ALGEBRA_HAS_ANN = _IMP_npctransport.IMP_ALGEBRA_HAS_ANN
309 IMPALGEBRA_SHOW_WARNINGS = _IMP_npctransport.IMPALGEBRA_SHOW_WARNINGS
311 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_IMP_CGAL
312 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
313 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
314 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_RANDOM
315 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_SYSTEM
316 IMP_DISPLAY_HAS_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_CGAL
317 IMPDISPLAY_SHOW_WARNINGS = _IMP_npctransport.IMPDISPLAY_SHOW_WARNINGS
319 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
320 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
321 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
322 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
323 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
324 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_CGAL
325 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_HDF5
326 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_npctransport.IMPSCOREFUNCTOR_SHOW_WARNINGS
328 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_IMP_CGAL
329 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
330 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
331 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_RANDOM
332 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_SYSTEM
333 IMP_STATISTICS_HAS_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_CGAL
334 IMPSTATISTICS_SHOW_WARNINGS = _IMP_npctransport.IMPSTATISTICS_SHOW_WARNINGS
336 IMP_CORE_HAS_IMP_CGAL = _IMP_npctransport.IMP_CORE_HAS_IMP_CGAL
337 IMP_CORE_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CORE_HAS_IMP_KERNEL
338 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_FILESYSTEM
339 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
340 IMP_CORE_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CORE_HAS_BOOST_RANDOM
341 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_SYSTEM
342 IMP_CORE_HAS_CGAL = _IMP_npctransport.IMP_CORE_HAS_CGAL
343 IMP_CORE_HAS_HDF5 = _IMP_npctransport.IMP_CORE_HAS_HDF5
344 IMPCORE_SHOW_WARNINGS = _IMP_npctransport.IMPCORE_SHOW_WARNINGS
346 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_ALGEBRA
347 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_CGAL
348 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_DISPLAY
349 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_KERNEL
350 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
351 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
352 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
353 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_RANDOM
354 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_SYSTEM
355 IMP_CONTAINER_HAS_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_CGAL
356 IMP_CONTAINER_HAS_HDF5 = _IMP_npctransport.IMP_CONTAINER_HAS_HDF5
357 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_npctransport.IMP_CONTAINER_HAS_PYTHON_IHM
358 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
359 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_ROBIN_MAP
360 IMPCONTAINER_SHOW_WARNINGS = _IMP_npctransport.IMPCONTAINER_SHOW_WARNINGS
362 IMP_ATOM_HAS_IMP_CGAL = _IMP_npctransport.IMP_ATOM_HAS_IMP_CGAL
363 IMP_ATOM_HAS_IMP_KERNEL = _IMP_npctransport.IMP_ATOM_HAS_IMP_KERNEL
364 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
365 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
366 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_RANDOM
367 IMP_ATOM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ATOM_HAS_BOOST_REGEX
368 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_SYSTEM
369 IMP_ATOM_HAS_CGAL = _IMP_npctransport.IMP_ATOM_HAS_CGAL
370 IMP_ATOM_HAS_HDF5 = _IMP_npctransport.IMP_ATOM_HAS_HDF5
371 IMP_ATOM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ATOM_HAS_PYTHON_IHM
372 IMPATOM_SHOW_WARNINGS = _IMP_npctransport.IMPATOM_SHOW_WARNINGS
373 IMP_ATOM_TYPE_INDEX = _IMP_npctransport.IMP_ATOM_TYPE_INDEX
374 IMP_RESIDUE_TYPE_INDEX = _IMP_npctransport.IMP_RESIDUE_TYPE_INDEX
375 IMP_HIERARCHY_TYPE_INDEX = _IMP_npctransport.IMP_HIERARCHY_TYPE_INDEX
376 IMP_CHAIN_TYPE_INDEX = _IMP_npctransport.IMP_CHAIN_TYPE_INDEX
378 IMP_RMF_HAS_IMP_CGAL = _IMP_npctransport.IMP_RMF_HAS_IMP_CGAL
379 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
380 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_FILESYSTEM
381 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
382 IMP_RMF_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_RMF_HAS_BOOST_RANDOM
383 IMP_RMF_HAS_BOOST_REGEX = _IMP_npctransport.IMP_RMF_HAS_BOOST_REGEX
384 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_SYSTEM
385 IMP_RMF_HAS_CGAL = _IMP_npctransport.IMP_RMF_HAS_CGAL
386 IMP_RMF_HAS_HDF5 = _IMP_npctransport.IMP_RMF_HAS_HDF5
387 IMP_RMF_HAS_PYTHON_IHM = _IMP_npctransport.IMP_RMF_HAS_PYTHON_IHM
388 IMPRMF_SHOW_WARNINGS = _IMP_npctransport.IMPRMF_SHOW_WARNINGS
391 IMP_NPCTRANSPORT_HAS_IMP_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_CGAL
392 IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM
393 IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS
394 IMP_NPCTRANSPORT_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_RANDOM
395 IMP_NPCTRANSPORT_HAS_BOOST_REGEX = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_REGEX
396 IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM
397 IMP_NPCTRANSPORT_HAS_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_CGAL
398 IMP_NPCTRANSPORT_HAS_HDF5 = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_HDF5
399 IMP_NPCTRANSPORT_HAS_PYTHON_IHM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_PYTHON_IHM
400 IMPNPCTRANSPORT_SHOW_WARNINGS = _IMP_npctransport.IMPNPCTRANSPORT_SHOW_WARNINGS
402 _object_types.append(
"SitesPairScore")
405 def _object_cast_to_SitesPairScore(o):
406 """_object_cast_to_SitesPairScore(Object o) -> SitesPairScore"""
407 return _IMP_npctransport._object_cast_to_SitesPairScore(o)
409 _object_types.append(
"Scoring")
412 def _object_cast_to_Scoring(o):
413 """_object_cast_to_Scoring(Object o) -> Scoring"""
414 return _IMP_npctransport._object_cast_to_Scoring(o)
416 _object_types.append(
"BrownianDynamicsTAMDWithSlabSupport")
419 def _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o):
420 """_object_cast_to_BrownianDynamicsTAMDWithSlabSupport(Object o) -> BrownianDynamicsTAMDWithSlabSupport"""
421 return _IMP_npctransport._object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
423 _object_types.append(
"Statistics")
426 def _object_cast_to_Statistics(o):
427 """_object_cast_to_Statistics(Object o) -> Statistics"""
428 return _IMP_npctransport._object_cast_to_Statistics(o)
430 _object_types.append(
"SimulationData")
433 def _object_cast_to_SimulationData(o):
434 """_object_cast_to_SimulationData(Object o) -> SimulationData"""
435 return _IMP_npctransport._object_cast_to_SimulationData(o)
437 _object_types.append(
"SitesGeometry")
440 def _object_cast_to_SitesGeometry(o):
441 """_object_cast_to_SitesGeometry(Object o) -> SitesGeometry"""
442 return _IMP_npctransport._object_cast_to_SitesGeometry(o)
444 _object_types.append(
"TypedSitesGeometry")
447 def _object_cast_to_TypedSitesGeometry(o):
448 """_object_cast_to_TypedSitesGeometry(Object o) -> TypedSitesGeometry"""
449 return _IMP_npctransport._object_cast_to_TypedSitesGeometry(o)
451 _object_types.append(
"SlabWithCylindricalPorePairScore")
454 def _object_cast_to_SlabWithCylindricalPorePairScore(o):
455 """_object_cast_to_SlabWithCylindricalPorePairScore(Object o) -> SlabWithCylindricalPorePairScore"""
456 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPorePairScore(o)
458 _object_types.append(
"SlabWithToroidalPorePairScore")
461 def _object_cast_to_SlabWithToroidalPorePairScore(o):
462 """_object_cast_to_SlabWithToroidalPorePairScore(Object o) -> SlabWithToroidalPorePairScore"""
463 return _IMP_npctransport._object_cast_to_SlabWithToroidalPorePairScore(o)
465 _object_types.append(
"PoreRadiusSingletonScore")
468 def _object_cast_to_PoreRadiusSingletonScore(o):
469 """_object_cast_to_PoreRadiusSingletonScore(Object o) -> PoreRadiusSingletonScore"""
470 return _IMP_npctransport._object_cast_to_PoreRadiusSingletonScore(o)
472 _object_types.append(
"ExcludeZRangeSingletonScore")
475 def _object_cast_to_ExcludeZRangeSingletonScore(o):
476 """_object_cast_to_ExcludeZRangeSingletonScore(Object o) -> ExcludeZRangeSingletonScore"""
477 return _IMP_npctransport._object_cast_to_ExcludeZRangeSingletonScore(o)
479 _object_types.append(
"ZBiasSingletonScore")
482 def _object_cast_to_ZBiasSingletonScore(o):
483 """_object_cast_to_ZBiasSingletonScore(Object o) -> ZBiasSingletonScore"""
484 return _IMP_npctransport._object_cast_to_ZBiasSingletonScore(o)
486 _object_types.append(
"SlabWithCylindricalPoreWireGeometry")
489 def _object_cast_to_SlabWithCylindricalPoreWireGeometry(o):
490 """_object_cast_to_SlabWithCylindricalPoreWireGeometry(Object o) -> SlabWithCylindricalPoreWireGeometry"""
491 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
493 _object_types.append(
"SlabWithCylindricalPoreSurfaceGeometry")
496 def _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o):
497 """_object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(Object o) -> SlabWithCylindricalPoreSurfaceGeometry"""
498 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
500 _object_types.append(
"SlabWithToroidalPoreWireGeometry")
503 def _object_cast_to_SlabWithToroidalPoreWireGeometry(o):
504 """_object_cast_to_SlabWithToroidalPoreWireGeometry(Object o) -> SlabWithToroidalPoreWireGeometry"""
505 return _IMP_npctransport._object_cast_to_SlabWithToroidalPoreWireGeometry(o)
507 _object_types.append(
"LinearSoftSpherePairScore")
510 def _object_cast_to_LinearSoftSpherePairScore(o):
511 """_object_cast_to_LinearSoftSpherePairScore(Object o) -> LinearSoftSpherePairScore"""
512 return _IMP_npctransport._object_cast_to_LinearSoftSpherePairScore(o)
514 _object_types.append(
"FunctorLinearSoftSpherePairScore")
517 def _object_cast_to_FunctorLinearSoftSpherePairScore(o):
518 """_object_cast_to_FunctorLinearSoftSpherePairScore(Object o) -> FunctorLinearSoftSpherePairScore"""
519 return _IMP_npctransport._object_cast_to_FunctorLinearSoftSpherePairScore(o)
521 _object_types.append(
"LinearInteractionPairScore")
524 def _object_cast_to_LinearInteractionPairScore(o):
525 """_object_cast_to_LinearInteractionPairScore(Object o) -> LinearInteractionPairScore"""
526 return _IMP_npctransport._object_cast_to_LinearInteractionPairScore(o)
528 _object_types.append(
"FunctorLinearInteractionPairScore")
531 def _object_cast_to_FunctorLinearInteractionPairScore(o):
532 """_object_cast_to_FunctorLinearInteractionPairScore(Object o) -> FunctorLinearInteractionPairScore"""
533 return _IMP_npctransport._object_cast_to_FunctorLinearInteractionPairScore(o)
535 _object_types.append(
"LinearWellPairScore")
538 def _object_cast_to_LinearWellPairScore(o):
539 """_object_cast_to_LinearWellPairScore(Object o) -> LinearWellPairScore"""
540 return _IMP_npctransport._object_cast_to_LinearWellPairScore(o)
542 _object_types.append(
"HarmonicSpringSingletonScore")
545 def _object_cast_to_HarmonicSpringSingletonScore(o):
546 """_object_cast_to_HarmonicSpringSingletonScore(Object o) -> HarmonicSpringSingletonScore"""
547 return _IMP_npctransport._object_cast_to_HarmonicSpringSingletonScore(o)
549 _object_types.append(
"HierarchyWithSitesSaveLink")
552 def _object_cast_to_HierarchyWithSitesSaveLink(o):
553 """_object_cast_to_HierarchyWithSitesSaveLink(Object o) -> HierarchyWithSitesSaveLink"""
554 return _IMP_npctransport._object_cast_to_HierarchyWithSitesSaveLink(o)
556 _object_types.append(
"HierarchyWithSitesLoadLink")
559 def _object_cast_to_HierarchyWithSitesLoadLink(o):
560 """_object_cast_to_HierarchyWithSitesLoadLink(Object o) -> HierarchyWithSitesLoadLink"""
561 return _IMP_npctransport._object_cast_to_HierarchyWithSitesLoadLink(o)
563 _object_types.append(
"ChainStatisticsOptimizerState")
566 def _object_cast_to_ChainStatisticsOptimizerState(o):
567 """_object_cast_to_ChainStatisticsOptimizerState(Object o) -> ChainStatisticsOptimizerState"""
568 return _IMP_npctransport._object_cast_to_ChainStatisticsOptimizerState(o)
570 _object_types.append(
"BodyStatisticsOptimizerState")
573 def _object_cast_to_BodyStatisticsOptimizerState(o):
574 """_object_cast_to_BodyStatisticsOptimizerState(Object o) -> BodyStatisticsOptimizerState"""
575 return _IMP_npctransport._object_cast_to_BodyStatisticsOptimizerState(o)
577 _object_types.append(
"BipartitePairsStatisticsOptimizerState")
580 def _object_cast_to_BipartitePairsStatisticsOptimizerState(o):
581 """_object_cast_to_BipartitePairsStatisticsOptimizerState(Object o) -> BipartitePairsStatisticsOptimizerState"""
582 return _IMP_npctransport._object_cast_to_BipartitePairsStatisticsOptimizerState(o)
584 _object_types.append(
"ParticleTransportStatisticsOptimizerState")
587 def _object_cast_to_ParticleTransportStatisticsOptimizerState(o):
588 """_object_cast_to_ParticleTransportStatisticsOptimizerState(Object o) -> ParticleTransportStatisticsOptimizerState"""
589 return _IMP_npctransport._object_cast_to_ParticleTransportStatisticsOptimizerState(o)
591 _object_types.append(
"FGChain")
594 def _object_cast_to_FGChain(o):
595 """_object_cast_to_FGChain(Object o) -> FGChain"""
596 return _IMP_npctransport._object_cast_to_FGChain(o)
598 _object_types.append(
"ParticleFactory")
601 def _object_cast_to_ParticleFactory(o):
602 """_object_cast_to_ParticleFactory(Object o) -> ParticleFactory"""
603 return _IMP_npctransport._object_cast_to_ParticleFactory(o)
606 _plural_types.append(
"Avro2PBReaders")
607 _value_types.append(
"Avro2PBReader")
610 SitesPairScoreParametersList=list
611 _plural_types.append(
"SitesPairScoreParametersList")
612 _value_types.append(
"SitesPairScoreParameters")
615 def Transportings(l=[]):
616 return [Transporting(x)
for x
in l]
617 _plural_types.append(
"Transportings")
620 _value_types.append(
"Transporting")
623 def SlabWithPores(l=[]):
624 return [SlabWithPore(x)
for x
in l]
625 _plural_types.append(
"SlabWithPores")
628 _value_types.append(
"SlabWithPore")
631 def SlabWithCylindricalPores(l=[]):
632 return [SlabWithCylindricalPore(x)
for x
in l]
633 _plural_types.append(
"SlabWithCylindricalPores")
636 _value_types.append(
"SlabWithCylindricalPore")
639 def RelaxingSprings(l=[]):
640 return [RelaxingSpring(x)
for x
in l]
641 _plural_types.append(
"RelaxingSprings")
644 _value_types.append(
"RelaxingSpring")
647 def SlabWithToroidalPores(l=[]):
648 return [SlabWithToroidalPore(x)
for x
in l]
649 _plural_types.append(
"SlabWithToroidalPores")
652 _value_types.append(
"SlabWithToroidalPore")
654 class _DoubleParameter(object):
655 """Proxy of C++ IMP::npctransport::Parameter<(double)> class."""
657 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
658 __repr__ = _swig_repr
662 __init__(IMP::npctransport::Parameter<(double)> self) -> _DoubleParameter
663 __init__(IMP::npctransport::Parameter<(double)> self, double t) -> _DoubleParameter
665 this = _IMP_npctransport.new__DoubleParameter(*args)
667 self.this.append(this)
668 except __builtin__.Exception:
672 """get_value(_DoubleParameter self) -> double"""
673 return _IMP_npctransport._DoubleParameter_get_value(self)
677 """is_init(_DoubleParameter self) -> bool"""
678 return _IMP_npctransport._DoubleParameter_is_init(self)
680 __swig_destroy__ = _IMP_npctransport.delete__DoubleParameter
681 __del__ =
lambda self:
None
682 _DoubleParameter_swigregister = _IMP_npctransport._DoubleParameter_swigregister
683 _DoubleParameter_swigregister(_DoubleParameter)
685 class _IntParameter(object):
686 """Proxy of C++ IMP::npctransport::Parameter<(int)> class."""
688 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
689 __repr__ = _swig_repr
693 __init__(IMP::npctransport::Parameter<(int)> self) -> _IntParameter
694 __init__(IMP::npctransport::Parameter<(int)> self, int t) -> _IntParameter
696 this = _IMP_npctransport.new__IntParameter(*args)
698 self.this.append(this)
699 except __builtin__.Exception:
703 """get_value(_IntParameter self) -> int"""
704 return _IMP_npctransport._IntParameter_get_value(self)
708 """is_init(_IntParameter self) -> bool"""
709 return _IMP_npctransport._IntParameter_is_init(self)
711 __swig_destroy__ = _IMP_npctransport.delete__IntParameter
712 __del__ =
lambda self:
None
713 _IntParameter_swigregister = _IMP_npctransport._IntParameter_swigregister
714 _IntParameter_swigregister(_IntParameter)
716 class _BoolParameter(object):
717 """Proxy of C++ IMP::npctransport::Parameter<(bool)> class."""
719 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
720 __repr__ = _swig_repr
724 __init__(IMP::npctransport::Parameter<(bool)> self) -> _BoolParameter
725 __init__(IMP::npctransport::Parameter<(bool)> self, bool t) -> _BoolParameter
727 this = _IMP_npctransport.new__BoolParameter(*args)
729 self.this.append(this)
730 except __builtin__.Exception:
734 """get_value(_BoolParameter self) -> bool"""
735 return _IMP_npctransport._BoolParameter_get_value(self)
739 """is_init(_BoolParameter self) -> bool"""
740 return _IMP_npctransport._BoolParameter_is_init(self)
742 __swig_destroy__ = _IMP_npctransport.delete__BoolParameter
743 __del__ =
lambda self:
None
744 _BoolParameter_swigregister = _IMP_npctransport._BoolParameter_swigregister
745 _BoolParameter_swigregister(_BoolParameter)
749 """make_ordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
750 return _IMP_npctransport.make_ordered_interaction_type(t0, t1)
753 """make_unordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
754 return _IMP_npctransport.make_unordered_interaction_type(t0, t1)
758 make_unordered_particle_index_pair(ParticleIndex pi0, ParticleIndex pi1) -> IMP::ParticleIndexPair
759 make_unordered_particle_index_pair(IMP::ParticleIndexPair pip) -> IMP::ParticleIndexPair
761 return _IMP_npctransport.make_unordered_particle_index_pair(*args)
763 """Proxy of C++ IMP::npctransport::LinearSoftSpherePairScore class."""
765 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
769 __init__(IMP::npctransport::LinearSoftSpherePairScore self, double k, std::string name) -> LinearSoftSpherePairScore
770 __init__(IMP::npctransport::LinearSoftSpherePairScore self, double k) -> LinearSoftSpherePairScore
772 this = _IMP_npctransport.new_LinearSoftSpherePairScore(*args)
774 self.this.append(this)
775 except __builtin__.Exception:
778 def do_get_inputs(self, m, pis):
779 """do_get_inputs(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
780 return _IMP_npctransport.LinearSoftSpherePairScore_do_get_inputs(self, m, pis)
784 """get_k(LinearSoftSpherePairScore self) -> double"""
785 return _IMP_npctransport.LinearSoftSpherePairScore_get_k(self)
788 def get_version_info(self):
789 """get_version_info(LinearSoftSpherePairScore self) -> VersionInfo"""
790 return _IMP_npctransport.LinearSoftSpherePairScore_get_version_info(self)
794 """__str__(LinearSoftSpherePairScore self) -> std::string"""
795 return _IMP_npctransport.LinearSoftSpherePairScore___str__(self)
799 """__repr__(LinearSoftSpherePairScore self) -> std::string"""
800 return _IMP_npctransport.LinearSoftSpherePairScore___repr__(self)
805 return _object_cast_to_LinearSoftSpherePairScore(o)
807 LinearSoftSpherePairScore_swigregister = _IMP_npctransport.LinearSoftSpherePairScore_swigregister
808 LinearSoftSpherePairScore_swigregister(LinearSoftSpherePairScore)
811 """Proxy of C++ IMP::npctransport::LinearInteractionPairScore class."""
813 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
817 __init__(IMP::npctransport::LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr, std::string name) -> LinearInteractionPairScore
818 __init__(IMP::npctransport::LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr) -> LinearInteractionPairScore
820 this = _IMP_npctransport.new_LinearInteractionPairScore(*args)
822 self.this.append(this)
823 except __builtin__.Exception:
826 def evaluate_if_good_index(self, *args):
828 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPair const & p, DerivativeAccumulator da, double max) -> double
829 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound) -> double
831 return _IMP_npctransport.LinearInteractionPairScore_evaluate_if_good_index(self, *args)
834 def do_get_inputs(self, m, pis):
835 """do_get_inputs(LinearInteractionPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
836 return _IMP_npctransport.LinearInteractionPairScore_do_get_inputs(self, m, pis)
839 def get_range_attraction(self):
840 """get_range_attraction(LinearInteractionPairScore self) -> double"""
841 return _IMP_npctransport.LinearInteractionPairScore_get_range_attraction(self)
844 def get_k_attraction(self):
845 """get_k_attraction(LinearInteractionPairScore self) -> double"""
846 return _IMP_npctransport.LinearInteractionPairScore_get_k_attraction(self)
849 def set_k_attraction(self, k_attr):
850 """set_k_attraction(LinearInteractionPairScore self, double k_attr)"""
851 return _IMP_npctransport.LinearInteractionPairScore_set_k_attraction(self, k_attr)
854 def get_k_repulsion(self):
855 """get_k_repulsion(LinearInteractionPairScore self) -> double"""
856 return _IMP_npctransport.LinearInteractionPairScore_get_k_repulsion(self)
859 def set_k_repulsion(self, k_rep):
860 """set_k_repulsion(LinearInteractionPairScore self, double k_rep)"""
861 return _IMP_npctransport.LinearInteractionPairScore_set_k_repulsion(self, k_rep)
864 def get_version_info(self):
865 """get_version_info(LinearInteractionPairScore self) -> VersionInfo"""
866 return _IMP_npctransport.LinearInteractionPairScore_get_version_info(self)
870 """__str__(LinearInteractionPairScore self) -> std::string"""
871 return _IMP_npctransport.LinearInteractionPairScore___str__(self)
875 """__repr__(LinearInteractionPairScore self) -> std::string"""
876 return _IMP_npctransport.LinearInteractionPairScore___repr__(self)
881 return _object_cast_to_LinearInteractionPairScore(o)
883 LinearInteractionPairScore_swigregister = _IMP_npctransport.LinearInteractionPairScore_swigregister
884 LinearInteractionPairScore_swigregister(LinearInteractionPairScore)
887 """Proxy of C++ IMP::npctransport::LinearWellPairScore class."""
889 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
893 __init__(IMP::npctransport::LinearWellPairScore self, double rest_length_factor, double k, std::string name) -> LinearWellPairScore
894 __init__(IMP::npctransport::LinearWellPairScore self, double rest_length_factor, double k) -> LinearWellPairScore
896 this = _IMP_npctransport.new_LinearWellPairScore(*args)
898 self.this.append(this)
899 except __builtin__.Exception:
902 def set_rest_length_factor(self, rest_length_factor):
903 """set_rest_length_factor(LinearWellPairScore self, double rest_length_factor)"""
904 return _IMP_npctransport.LinearWellPairScore_set_rest_length_factor(self, rest_length_factor)
907 def get_rest_length_factor(self):
908 """get_rest_length_factor(LinearWellPairScore self) -> double"""
909 return _IMP_npctransport.LinearWellPairScore_get_rest_length_factor(self)
913 """set_k(LinearWellPairScore self, double k)"""
914 return _IMP_npctransport.LinearWellPairScore_set_k(self, k)
918 """get_k(LinearWellPairScore self) -> double"""
919 return _IMP_npctransport.LinearWellPairScore_get_k(self)
922 def do_get_inputs(self, m, pis):
923 """do_get_inputs(LinearWellPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
924 return _IMP_npctransport.LinearWellPairScore_do_get_inputs(self, m, pis)
927 def get_version_info(self):
928 """get_version_info(LinearWellPairScore self) -> VersionInfo"""
929 return _IMP_npctransport.LinearWellPairScore_get_version_info(self)
933 """__str__(LinearWellPairScore self) -> std::string"""
934 return _IMP_npctransport.LinearWellPairScore___str__(self)
938 """__repr__(LinearWellPairScore self) -> std::string"""
939 return _IMP_npctransport.LinearWellPairScore___repr__(self)
944 return _object_cast_to_LinearWellPairScore(o)
946 LinearWellPairScore_swigregister = _IMP_npctransport.LinearWellPairScore_swigregister
947 LinearWellPairScore_swigregister(LinearWellPairScore)
950 """Proxy of C++ IMP::npctransport::RelaxingSpring class."""
952 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
956 __init__(IMP::npctransport::RelaxingSpring self) -> RelaxingSpring
957 __init__(IMP::npctransport::RelaxingSpring self, Model m, ParticleIndex id) -> RelaxingSpring
958 __init__(IMP::npctransport::RelaxingSpring self, _ParticleAdaptor d) -> RelaxingSpring
960 this = _IMP_npctransport.new_RelaxingSpring(*args)
962 self.this.append(this)
963 except __builtin__.Exception:
966 def show(self, *args):
968 show(RelaxingSpring self, _ostream out)
969 show(RelaxingSpring self)
971 return _IMP_npctransport.RelaxingSpring_show(self, *args)
974 def setup_particle(*args):
976 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
977 setup_particle(_ParticleAdaptor decorator, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
979 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
981 setup_particle = staticmethod(setup_particle)
983 def get_is_setup(*args):
985 get_is_setup(_ParticleAdaptor p) -> bool
986 get_is_setup(Model m, ParticleIndex pi) -> bool
988 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
990 get_is_setup = staticmethod(get_is_setup)
992 def get_bonded_particle_0_key():
993 """get_bonded_particle_0_key() -> ParticleIndexKey"""
994 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
996 get_bonded_particle_0_key = staticmethod(get_bonded_particle_0_key)
998 def get_bonded_particle_1_key():
999 """get_bonded_particle_1_key() -> ParticleIndexKey"""
1000 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1002 get_bonded_particle_1_key = staticmethod(get_bonded_particle_1_key)
1004 def get_equilibrium_rest_length_factor_key():
1005 """get_equilibrium_rest_length_factor_key() -> FloatKey"""
1006 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1008 get_equilibrium_rest_length_factor_key = staticmethod(get_equilibrium_rest_length_factor_key)
1010 def get_rest_length_key():
1011 """get_rest_length_key() -> FloatKey"""
1012 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1014 get_rest_length_key = staticmethod(get_rest_length_key)
1016 def get_rest_length_diffusion_coefficient_key():
1017 """get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1018 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1020 get_rest_length_diffusion_coefficient_key = staticmethod(get_rest_length_diffusion_coefficient_key)
1022 def get_bonded_particle_0(self):
1023 """get_bonded_particle_0(RelaxingSpring self) -> Particle"""
1024 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0(self)
1027 def get_bonded_particle_1(self):
1028 """get_bonded_particle_1(RelaxingSpring self) -> Particle"""
1029 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1(self)
1032 def get_bonded_particle_index_0(self):
1033 """get_bonded_particle_index_0(RelaxingSpring self) -> ParticleIndex"""
1034 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_0(self)
1037 def get_bonded_particle_index_1(self):
1038 """get_bonded_particle_index_1(RelaxingSpring self) -> ParticleIndex"""
1039 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_1(self)
1042 def get_equilibrium_rest_length_factor(self):
1043 """get_equilibrium_rest_length_factor(RelaxingSpring self) -> IMP::Float"""
1044 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor(self)
1047 def set_equilibrium_rest_length_factor(self, t):
1048 """set_equilibrium_rest_length_factor(RelaxingSpring self, IMP::Float t)"""
1049 return _IMP_npctransport.RelaxingSpring_set_equilibrium_rest_length_factor(self, t)
1052 def get_rest_length(self):
1053 """get_rest_length(RelaxingSpring self) -> IMP::Float"""
1054 return _IMP_npctransport.RelaxingSpring_get_rest_length(self)
1057 def set_rest_length(self, t):
1058 """set_rest_length(RelaxingSpring self, IMP::Float t)"""
1059 return _IMP_npctransport.RelaxingSpring_set_rest_length(self, t)
1062 def get_rest_length_diffusion_coefficient(self):
1063 """get_rest_length_diffusion_coefficient(RelaxingSpring self) -> IMP::Float"""
1064 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient(self)
1067 def set_rest_length_diffusion_coefficient(self, t):
1068 """set_rest_length_diffusion_coefficient(RelaxingSpring self, IMP::Float t)"""
1069 return _IMP_npctransport.RelaxingSpring_set_rest_length_diffusion_coefficient(self, t)
1072 def add_to_rest_length_derivative(self, d, da):
1073 """add_to_rest_length_derivative(RelaxingSpring self, double d, DerivativeAccumulator da)"""
1074 return _IMP_npctransport.RelaxingSpring_add_to_rest_length_derivative(self, d, da)
1077 def get_rest_length_derivative(self):
1078 """get_rest_length_derivative(RelaxingSpring self) -> double"""
1079 return _IMP_npctransport.RelaxingSpring_get_rest_length_derivative(self)
1082 def add_attribute(self, *args):
1084 add_attribute(RelaxingSpring self, FloatKey k, IMP::Float v, bool opt)
1085 add_attribute(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1086 add_attribute(RelaxingSpring self, IntKey a0, IMP::Int a1)
1087 add_attribute(RelaxingSpring self, StringKey a0, IMP::String a1)
1088 add_attribute(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1089 add_attribute(RelaxingSpring self, ObjectKey a0, Object a1)
1091 return _IMP_npctransport.RelaxingSpring_add_attribute(self, *args)
1094 def get_value(self, *args):
1096 get_value(RelaxingSpring self, FloatKey a0) -> IMP::Float
1097 get_value(RelaxingSpring self, IntKey a0) -> IMP::Int
1098 get_value(RelaxingSpring self, StringKey a0) -> IMP::String
1099 get_value(RelaxingSpring self, ParticleIndexKey a0) -> Particle
1100 get_value(RelaxingSpring self, ObjectKey a0) -> Object
1102 return _IMP_npctransport.RelaxingSpring_get_value(self, *args)
1105 def set_value(self, *args):
1107 set_value(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1108 set_value(RelaxingSpring self, IntKey a0, IMP::Int a1)
1109 set_value(RelaxingSpring self, StringKey a0, IMP::String a1)
1110 set_value(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1111 set_value(RelaxingSpring self, ObjectKey a0, Object a1)
1113 return _IMP_npctransport.RelaxingSpring_set_value(self, *args)
1116 def remove_attribute(self, *args):
1118 remove_attribute(RelaxingSpring self, FloatKey a0)
1119 remove_attribute(RelaxingSpring self, IntKey a0)
1120 remove_attribute(RelaxingSpring self, StringKey a0)
1121 remove_attribute(RelaxingSpring self, ParticleIndexKey a0)
1122 remove_attribute(RelaxingSpring self, ObjectKey a0)
1124 return _IMP_npctransport.RelaxingSpring_remove_attribute(self, *args)
1127 def has_attribute(self, *args):
1129 has_attribute(RelaxingSpring self, FloatKey a0) -> bool
1130 has_attribute(RelaxingSpring self, IntKey a0) -> bool
1131 has_attribute(RelaxingSpring self, StringKey a0) -> bool
1132 has_attribute(RelaxingSpring self, ParticleIndexKey a0) -> bool
1133 has_attribute(RelaxingSpring self, ObjectKey a0) -> bool
1135 return _IMP_npctransport.RelaxingSpring_has_attribute(self, *args)
1138 def get_derivative(self, a0):
1139 """get_derivative(RelaxingSpring self, FloatKey a0) -> double"""
1140 return _IMP_npctransport.RelaxingSpring_get_derivative(self, a0)
1144 """get_name(RelaxingSpring self) -> std::string"""
1145 return _IMP_npctransport.RelaxingSpring_get_name(self)
1148 def clear_caches(self):
1149 """clear_caches(RelaxingSpring self)"""
1150 return _IMP_npctransport.RelaxingSpring_clear_caches(self)
1153 def set_name(self, a0):
1154 """set_name(RelaxingSpring self, std::string a0)"""
1155 return _IMP_npctransport.RelaxingSpring_set_name(self, a0)
1159 """set_check_level(RelaxingSpring self, IMP::CheckLevel a0)"""
1160 return _IMP_npctransport.RelaxingSpring_set_check_level(self, a0)
1163 def add_to_derivative(self, a0, a1, a2):
1164 """add_to_derivative(RelaxingSpring self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1165 return _IMP_npctransport.RelaxingSpring_add_to_derivative(self, a0, a1, a2)
1168 def set_is_optimized(self, a0, a1):
1169 """set_is_optimized(RelaxingSpring self, FloatKey a0, bool a1)"""
1170 return _IMP_npctransport.RelaxingSpring_set_is_optimized(self, a0, a1)
1173 def get_is_optimized(self, a0):
1174 """get_is_optimized(RelaxingSpring self, FloatKey a0) -> bool"""
1175 return _IMP_npctransport.RelaxingSpring_get_is_optimized(self, a0)
1179 """get_check_level(RelaxingSpring self) -> IMP::CheckLevel"""
1180 return _IMP_npctransport.RelaxingSpring_get_check_level(self)
1183 def __eq__(self, *args):
1185 __eq__(RelaxingSpring self, RelaxingSpring o) -> bool
1186 __eq__(RelaxingSpring self, Particle d) -> bool
1188 return _IMP_npctransport.RelaxingSpring___eq__(self, *args)
1191 def __ne__(self, *args):
1193 __ne__(RelaxingSpring self, RelaxingSpring o) -> bool
1194 __ne__(RelaxingSpring self, Particle d) -> bool
1196 return _IMP_npctransport.RelaxingSpring___ne__(self, *args)
1199 def __le__(self, *args):
1201 __le__(RelaxingSpring self, RelaxingSpring o) -> bool
1202 __le__(RelaxingSpring self, Particle d) -> bool
1204 return _IMP_npctransport.RelaxingSpring___le__(self, *args)
1207 def __lt__(self, *args):
1209 __lt__(RelaxingSpring self, RelaxingSpring o) -> bool
1210 __lt__(RelaxingSpring self, Particle d) -> bool
1212 return _IMP_npctransport.RelaxingSpring___lt__(self, *args)
1215 def __ge__(self, *args):
1217 __ge__(RelaxingSpring self, RelaxingSpring o) -> bool
1218 __ge__(RelaxingSpring self, Particle d) -> bool
1220 return _IMP_npctransport.RelaxingSpring___ge__(self, *args)
1223 def __gt__(self, *args):
1225 __gt__(RelaxingSpring self, RelaxingSpring o) -> bool
1226 __gt__(RelaxingSpring self, Particle d) -> bool
1228 return _IMP_npctransport.RelaxingSpring___gt__(self, *args)
1232 """__hash__(RelaxingSpring self) -> std::size_t"""
1233 return _IMP_npctransport.RelaxingSpring___hash__(self)
1237 """__str__(RelaxingSpring self) -> std::string"""
1238 return _IMP_npctransport.RelaxingSpring___str__(self)
1242 """__repr__(RelaxingSpring self) -> std::string"""
1243 return _IMP_npctransport.RelaxingSpring___repr__(self)
1245 __swig_destroy__ = _IMP_npctransport.delete_RelaxingSpring
1246 __del__ =
lambda self:
None
1247 RelaxingSpring_swigregister = _IMP_npctransport.RelaxingSpring_swigregister
1248 RelaxingSpring_swigregister(RelaxingSpring)
1250 def RelaxingSpring_setup_particle(*args):
1252 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1253 RelaxingSpring_setup_particle(_ParticleAdaptor decorator, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1255 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
1257 def RelaxingSpring_get_is_setup(*args):
1259 get_is_setup(_ParticleAdaptor p) -> bool
1260 RelaxingSpring_get_is_setup(Model m, ParticleIndex pi) -> bool
1262 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1264 def RelaxingSpring_get_bonded_particle_0_key():
1265 """RelaxingSpring_get_bonded_particle_0_key() -> ParticleIndexKey"""
1266 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1268 def RelaxingSpring_get_bonded_particle_1_key():
1269 """RelaxingSpring_get_bonded_particle_1_key() -> ParticleIndexKey"""
1270 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1272 def RelaxingSpring_get_equilibrium_rest_length_factor_key():
1273 """RelaxingSpring_get_equilibrium_rest_length_factor_key() -> FloatKey"""
1274 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1276 def RelaxingSpring_get_rest_length_key():
1277 """RelaxingSpring_get_rest_length_key() -> FloatKey"""
1278 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1280 def RelaxingSpring_get_rest_length_diffusion_coefficient_key():
1281 """RelaxingSpring_get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1282 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1285 """Proxy of C++ IMP::npctransport::HarmonicSpringSingletonScore class."""
1287 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1291 __init__(IMP::npctransport::HarmonicSpringSingletonScore self, double k1, double k2, std::string name) -> HarmonicSpringSingletonScore
1292 __init__(IMP::npctransport::HarmonicSpringSingletonScore self, double k1, double k2) -> HarmonicSpringSingletonScore
1294 this = _IMP_npctransport.new_HarmonicSpringSingletonScore(*args)
1296 self.this.append(this)
1297 except __builtin__.Exception:
1300 def set_k1(self, k1):
1301 """set_k1(HarmonicSpringSingletonScore self, double k1)"""
1302 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k1(self, k1)
1306 """get_k1(HarmonicSpringSingletonScore self) -> double"""
1307 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k1(self)
1310 def set_k2(self, k2):
1311 """set_k2(HarmonicSpringSingletonScore self, double k2)"""
1312 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k2(self, k2)
1316 """get_k2(HarmonicSpringSingletonScore self) -> double"""
1317 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k2(self)
1320 def do_get_inputs(self, m, pis):
1321 """do_get_inputs(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1322 return _IMP_npctransport.HarmonicSpringSingletonScore_do_get_inputs(self, m, pis)
1325 def get_version_info(self):
1326 """get_version_info(HarmonicSpringSingletonScore self) -> VersionInfo"""
1327 return _IMP_npctransport.HarmonicSpringSingletonScore_get_version_info(self)
1331 """__str__(HarmonicSpringSingletonScore self) -> std::string"""
1332 return _IMP_npctransport.HarmonicSpringSingletonScore___str__(self)
1336 """__repr__(HarmonicSpringSingletonScore self) -> std::string"""
1337 return _IMP_npctransport.HarmonicSpringSingletonScore___repr__(self)
1342 return _object_cast_to_HarmonicSpringSingletonScore(o)
1344 HarmonicSpringSingletonScore_swigregister = _IMP_npctransport.HarmonicSpringSingletonScore_swigregister
1345 HarmonicSpringSingletonScore_swigregister(HarmonicSpringSingletonScore)
1347 class LinearInteraction(object):
1348 """Proxy of C++ IMP::npctransport::LinearInteraction class."""
1350 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1351 __repr__ = _swig_repr
1353 def __init__(self, krep, attr_range, kattr):
1354 """__init__(IMP::npctransport::LinearInteraction self, double krep, double attr_range, double kattr) -> LinearInteraction"""
1355 this = _IMP_npctransport.new_LinearInteraction(krep, attr_range, kattr)
1357 self.this.append(this)
1358 except __builtin__.Exception:
1361 def show(self, *args):
1363 show(LinearInteraction self, _ostream out)
1364 show(LinearInteraction self)
1366 return _IMP_npctransport.LinearInteraction_show(self, *args)
1368 __swig_destroy__ = _IMP_npctransport.delete_LinearInteraction
1369 __del__ =
lambda self:
None
1370 LinearInteraction_swigregister = _IMP_npctransport.LinearInteraction_swigregister
1371 LinearInteraction_swigregister(LinearInteraction)
1374 """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearSoftSphereScore)> class."""
1376 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1377 __repr__ = _swig_repr
1381 __init__(IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearSoftSphereScore)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > >::DistanceScore const & t0, std::string name) -> _DistancePairScoreForLinearSoftSphere
1382 __init__(IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearSoftSphereScore)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > >::DistanceScore const & t0) -> _DistancePairScoreForLinearSoftSphere
1384 this = _IMP_npctransport.new__DistancePairScoreForLinearSoftSphere(*args)
1386 self.this.append(this)
1387 except __builtin__.Exception:
1390 def do_get_inputs(self, m, pis):
1391 """do_get_inputs(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1392 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_do_get_inputs(self, m, pis)
1395 def get_score_functor(self):
1396 """get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > &"""
1397 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_score_functor(self)
1400 def get_version_info(self):
1401 """get_version_info(_DistancePairScoreForLinearSoftSphere self) -> VersionInfo"""
1402 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_version_info(self)
1404 _DistancePairScoreForLinearSoftSphere_swigregister = _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swigregister
1405 _DistancePairScoreForLinearSoftSphere_swigregister(_DistancePairScoreForLinearSoftSphere)
1407 class _DistancePairScoreForLinearInteraction(
IMP.PairScore):
1408 """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearInteractionScore)> class."""
1410 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1411 __repr__ = _swig_repr
1415 __init__(IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearInteractionScore)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0, std::string name) -> _DistancePairScoreForLinearInteraction
1416 __init__(IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearInteractionScore)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0) -> _DistancePairScoreForLinearInteraction
1418 this = _IMP_npctransport.new__DistancePairScoreForLinearInteraction(*args)
1420 self.this.append(this)
1421 except __builtin__.Exception:
1424 def do_get_inputs(self, m, pis):
1425 """do_get_inputs(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1426 return _IMP_npctransport._DistancePairScoreForLinearInteraction_do_get_inputs(self, m, pis)
1429 def get_score_functor(self):
1430 """get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > &"""
1431 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_score_functor(self)
1434 def get_version_info(self):
1435 """get_version_info(_DistancePairScoreForLinearInteraction self) -> VersionInfo"""
1436 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_version_info(self)
1438 _DistancePairScoreForLinearInteraction_swigregister = _IMP_npctransport._DistancePairScoreForLinearInteraction_swigregister
1439 _DistancePairScoreForLinearInteraction_swigregister(_DistancePairScoreForLinearInteraction)
1441 class FunctorLinearSoftSpherePairScore(_DistancePairScoreForLinearSoftSphere):
1442 """Proxy of C++ IMP::npctransport::FunctorLinearSoftSpherePairScore class."""
1444 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1448 __init__(IMP::npctransport::FunctorLinearSoftSpherePairScore self, double k, std::string name) -> FunctorLinearSoftSpherePairScore
1449 __init__(IMP::npctransport::FunctorLinearSoftSpherePairScore self, double k) -> FunctorLinearSoftSpherePairScore
1451 this = _IMP_npctransport.new_FunctorLinearSoftSpherePairScore(*args)
1453 self.this.append(this)
1454 except __builtin__.Exception:
1458 """__str__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1459 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___str__(self)
1463 """__repr__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1464 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___repr__(self)
1469 return _object_cast_to_FunctorLinearSoftSpherePairScore(o)
1471 FunctorLinearSoftSpherePairScore_swigregister = _IMP_npctransport.FunctorLinearSoftSpherePairScore_swigregister
1472 FunctorLinearSoftSpherePairScore_swigregister(FunctorLinearSoftSpherePairScore)
1474 class FunctorLinearInteractionPairScore(_DistancePairScoreForLinearInteraction):
1475 """Proxy of C++ IMP::npctransport::FunctorLinearInteractionPairScore class."""
1477 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1481 __init__(IMP::npctransport::FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr, std::string name) -> FunctorLinearInteractionPairScore
1482 __init__(IMP::npctransport::FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr) -> FunctorLinearInteractionPairScore
1484 this = _IMP_npctransport.new_FunctorLinearInteractionPairScore(*args)
1486 self.this.append(this)
1487 except __builtin__.Exception:
1491 """__str__(FunctorLinearInteractionPairScore self) -> std::string"""
1492 return _IMP_npctransport.FunctorLinearInteractionPairScore___str__(self)
1496 """__repr__(FunctorLinearInteractionPairScore self) -> std::string"""
1497 return _IMP_npctransport.FunctorLinearInteractionPairScore___repr__(self)
1502 return _object_cast_to_FunctorLinearInteractionPairScore(o)
1504 FunctorLinearInteractionPairScore_swigregister = _IMP_npctransport.FunctorLinearInteractionPairScore_swigregister
1505 FunctorLinearInteractionPairScore_swigregister(FunctorLinearInteractionPairScore)
1508 """Proxy of C++ IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport class."""
1510 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1514 __init__(IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamicsTAMDWithSlabSupport
1515 __init__(IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name) -> BrownianDynamicsTAMDWithSlabSupport
1516 __init__(IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport self, Model m) -> BrownianDynamicsTAMDWithSlabSupport
1518 this = _IMP_npctransport.new_BrownianDynamicsTAMDWithSlabSupport(*args)
1520 self.this.append(this)
1521 except __builtin__.Exception:
1525 """__str__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1526 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___str__(self)
1530 """__repr__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1531 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___repr__(self)
1536 return _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
1538 __swig_destroy__ = _IMP_npctransport.delete_BrownianDynamicsTAMDWithSlabSupport
1539 __del__ =
lambda self:
None
1540 BrownianDynamicsTAMDWithSlabSupport_swigregister = _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swigregister
1541 BrownianDynamicsTAMDWithSlabSupport_swigregister(BrownianDynamicsTAMDWithSlabSupport)
1543 class SitesPairScoreParameters(object):
1544 """Proxy of C++ IMP::npctransport::SitesPairScoreParameters class."""
1546 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1547 r = _swig_property(_IMP_npctransport.SitesPairScoreParameters_r_get, _IMP_npctransport.SitesPairScoreParameters_r_set)
1548 k = _swig_property(_IMP_npctransport.SitesPairScoreParameters_k_get, _IMP_npctransport.SitesPairScoreParameters_k_set)
1549 r2 = _swig_property(_IMP_npctransport.SitesPairScoreParameters_r2_get, _IMP_npctransport.SitesPairScoreParameters_r2_set)
1550 kr = _swig_property(_IMP_npctransport.SitesPairScoreParameters_kr_get, _IMP_npctransport.SitesPairScoreParameters_kr_set)
1551 kr2 = _swig_property(_IMP_npctransport.SitesPairScoreParameters_kr2_get, _IMP_npctransport.SitesPairScoreParameters_kr2_set)
1552 cosSigma1_max = _swig_property(_IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_set)
1553 cosSigma2_max = _swig_property(_IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_set)
1554 is_orientational = _swig_property(_IMP_npctransport.SitesPairScoreParameters_is_orientational_get, _IMP_npctransport.SitesPairScoreParameters_is_orientational_set)
1556 def __init__(self, range, k_coefficient, sigma1_max_deg=0.0, sigma2_max_deg=0.0):
1558 __init__(IMP::npctransport::SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0) -> SitesPairScoreParameters
1559 __init__(IMP::npctransport::SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0) -> SitesPairScoreParameters
1560 __init__(IMP::npctransport::SitesPairScoreParameters self, double range, double k_coefficient) -> SitesPairScoreParameters
1562 this = _IMP_npctransport.new_SitesPairScoreParameters(range, k_coefficient, sigma1_max_deg, sigma2_max_deg)
1564 self.this.append(this)
1565 except __builtin__.Exception:
1568 def set_range(self, r):
1569 """set_range(SitesPairScoreParameters self, double r)"""
1570 return _IMP_npctransport.SitesPairScoreParameters_set_range(self, r)
1573 def set_force_coefficient(self, k):
1574 """set_force_coefficient(SitesPairScoreParameters self, double k)"""
1575 return _IMP_npctransport.SitesPairScoreParameters_set_force_coefficient(self, k)
1578 def set_sigma1_max(self, sigma1_max_deg):
1579 """set_sigma1_max(SitesPairScoreParameters self, double sigma1_max_deg)"""
1580 return _IMP_npctransport.SitesPairScoreParameters_set_sigma1_max(self, sigma1_max_deg)
1583 def set_sigma2_max(self, sigma2_max_deg):
1584 """set_sigma2_max(SitesPairScoreParameters self, double sigma2_max_deg)"""
1585 return _IMP_npctransport.SitesPairScoreParameters_set_sigma2_max(self, sigma2_max_deg)
1588 def update_is_orientational(self):
1589 """update_is_orientational(SitesPairScoreParameters self)"""
1590 return _IMP_npctransport.SitesPairScoreParameters_update_is_orientational(self)
1593 def show(self, *args):
1595 show(SitesPairScoreParameters self, _ostream out)
1596 show(SitesPairScoreParameters self)
1598 return _IMP_npctransport.SitesPairScoreParameters_show(self, *args)
1602 """__str__(SitesPairScoreParameters self) -> std::string"""
1603 return _IMP_npctransport.SitesPairScoreParameters___str__(self)
1607 """__repr__(SitesPairScoreParameters self) -> std::string"""
1608 return _IMP_npctransport.SitesPairScoreParameters___repr__(self)
1610 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScoreParameters
1611 __del__ =
lambda self:
None
1612 SitesPairScoreParameters_swigregister = _IMP_npctransport.SitesPairScoreParameters_swigregister
1613 SitesPairScoreParameters_swigregister(SitesPairScoreParameters)
1616 """Proxy of C++ IMP::npctransport::SitesGeometry class."""
1618 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1621 """__init__(IMP::npctransport::SitesGeometry self, Particle p, IMP::algebra::Sphere3Ds sites) -> SitesGeometry"""
1622 this = _IMP_npctransport.new_SitesGeometry(p, sites)
1624 self.this.append(this)
1625 except __builtin__.Exception:
1629 """__str__(SitesGeometry self) -> std::string"""
1630 return _IMP_npctransport.SitesGeometry___str__(self)
1634 """__repr__(SitesGeometry self) -> std::string"""
1635 return _IMP_npctransport.SitesGeometry___repr__(self)
1640 return _object_cast_to_SitesGeometry(o)
1642 SitesGeometry_swigregister = _IMP_npctransport.SitesGeometry_swigregister
1643 SitesGeometry_swigregister(SitesGeometry)
1646 """Proxy of C++ IMP::npctransport::TypedSitesGeometry class."""
1648 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1651 """__init__(IMP::npctransport::TypedSitesGeometry self, _SingletonContainerAdaptor sc) -> TypedSitesGeometry"""
1652 this = _IMP_npctransport.new_TypedSitesGeometry(sc)
1654 self.this.append(this)
1655 except __builtin__.Exception:
1658 def set_sites(self, t, s):
1659 """set_sites(TypedSitesGeometry self, ParticleType t, IMP::algebra::Sphere3Ds s)"""
1660 return _IMP_npctransport.TypedSitesGeometry_set_sites(self, t, s)
1663 def get_version_info(self):
1664 """get_version_info(TypedSitesGeometry self) -> VersionInfo"""
1665 return _IMP_npctransport.TypedSitesGeometry_get_version_info(self)
1669 """__str__(TypedSitesGeometry self) -> std::string"""
1670 return _IMP_npctransport.TypedSitesGeometry___str__(self)
1674 """__repr__(TypedSitesGeometry self) -> std::string"""
1675 return _IMP_npctransport.TypedSitesGeometry___repr__(self)
1680 return _object_cast_to_TypedSitesGeometry(o)
1682 TypedSitesGeometry_swigregister = _IMP_npctransport.TypedSitesGeometry_swigregister
1683 TypedSitesGeometry_swigregister(TypedSitesGeometry)
1685 class SitesPairScore(LinearInteractionPairScore):
1686 """Proxy of C++ IMP::npctransport::SitesPairScore class."""
1688 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1690 def __init__(self, range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1):
1691 """__init__(IMP::npctransport::SitesPairScore self, double range, double k, double sigma0_deg, double sigma1_deg, double range_nonspec_attraction, double k_nonspec_attraction, double k_nonspec_repulsion, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1) -> SitesPairScore"""
1692 this = _IMP_npctransport.new_SitesPairScore(range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1)
1694 self.this.append(this)
1695 except __builtin__.Exception:
1698 def get_sites_range(self):
1699 """get_sites_range(SitesPairScore self) -> double"""
1700 return _IMP_npctransport.SitesPairScore_get_sites_range(self)
1703 def get_sites_k(self):
1704 """get_sites_k(SitesPairScore self) -> double"""
1705 return _IMP_npctransport.SitesPairScore_get_sites_k(self)
1708 def get_parameters(self):
1709 """get_parameters(SitesPairScore self) -> SitesPairScoreParameters"""
1710 return _IMP_npctransport.SitesPairScore_get_parameters(self)
1713 def set_sites(self, sites0, sites1):
1714 """set_sites(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1)"""
1715 return _IMP_npctransport.SitesPairScore_set_sites(self, sites0, sites1)
1718 def set_sites0(self, sites0):
1719 """set_sites0(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0)"""
1720 return _IMP_npctransport.SitesPairScore_set_sites0(self, sites0)
1723 def set_sites1(self, sites1):
1724 """set_sites1(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites1)"""
1725 return _IMP_npctransport.SitesPairScore_set_sites1(self, sites1)
1729 """__str__(SitesPairScore self) -> std::string"""
1730 return _IMP_npctransport.SitesPairScore___str__(self)
1734 """__repr__(SitesPairScore self) -> std::string"""
1735 return _IMP_npctransport.SitesPairScore___repr__(self)
1740 return _object_cast_to_SitesPairScore(o)
1742 SitesPairScore_swigregister = _IMP_npctransport.SitesPairScore_swigregister
1743 SitesPairScore_swigregister(SitesPairScore)
1746 """Proxy of C++ IMP::npctransport::FGChain class."""
1748 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1752 __init__(IMP::npctransport::FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0, std::string name) -> FGChain
1753 __init__(IMP::npctransport::FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0) -> FGChain
1754 __init__(IMP::npctransport::FGChain self, Particle root, double backbone_k=0.0) -> FGChain
1755 __init__(IMP::npctransport::FGChain self, Particle root) -> FGChain
1757 this = _IMP_npctransport.new_FGChain(*args)
1759 self.this.append(this)
1760 except __builtin__.Exception:
1764 """get_root(FGChain self) -> Hierarchy"""
1765 return _IMP_npctransport.FGChain_get_root(self)
1768 def get_beads(self):
1769 """get_beads(FGChain self) -> IMP::ParticlesTemp"""
1770 return _IMP_npctransport.FGChain_get_beads(self)
1773 def get_bead(self, i):
1774 """get_bead(FGChain self, unsigned int i) -> Particle"""
1775 return _IMP_npctransport.FGChain_get_bead(self, i)
1778 def get_bead_index(self, i):
1779 """get_bead_index(FGChain self, unsigned int i) -> ParticleIndex"""
1780 return _IMP_npctransport.FGChain_get_bead_index(self, i)
1783 def get_number_of_beads(self):
1784 """get_number_of_beads(FGChain self) -> unsigned int"""
1785 return _IMP_npctransport.FGChain_get_number_of_beads(self)
1788 def get_chain_restraints(self, scoring_manager):
1789 """get_chain_restraints(FGChain self, Scoring scoring_manager) -> IMP::Restraints"""
1790 return _IMP_npctransport.FGChain_get_chain_restraints(self, scoring_manager)
1793 def set_rest_length_factor(self, rlf):
1794 """set_rest_length_factor(FGChain self, double rlf)"""
1795 return _IMP_npctransport.FGChain_set_rest_length_factor(self, rlf)
1798 def set_backbone_k(self, k):
1799 """set_backbone_k(FGChain self, double k)"""
1800 return _IMP_npctransport.FGChain_set_backbone_k(self, k)
1803 def get_rest_length_factor(self):
1804 """get_rest_length_factor(FGChain self) -> double"""
1805 return _IMP_npctransport.FGChain_get_rest_length_factor(self)
1808 def get_backbone_k(self):
1809 """get_backbone_k(FGChain self) -> double"""
1810 return _IMP_npctransport.FGChain_get_backbone_k(self)
1813 def get_version_info(self):
1814 """get_version_info(FGChain self) -> VersionInfo"""
1815 return _IMP_npctransport.FGChain_get_version_info(self)
1819 """__str__(FGChain self) -> std::string"""
1820 return _IMP_npctransport.FGChain___str__(self)
1824 """__repr__(FGChain self) -> std::string"""
1825 return _IMP_npctransport.FGChain___repr__(self)
1830 return _object_cast_to_FGChain(o)
1832 FGChain_swigregister = _IMP_npctransport.FGChain_swigregister
1833 FGChain_swigregister(FGChain)
1837 """create_fg_chain(SimulationData sd, Hierarchy parent, ::npctransport_proto::Assignment_FGAssignment const & fg_data, Color c) -> FGChain"""
1838 return _IMP_npctransport.create_fg_chain(sd, parent, fg_data, c)
1842 get_fg_chain(Hierarchy root) -> FGChain
1843 get_fg_chain(Particle p_root) -> FGChain
1845 return _IMP_npctransport.get_fg_chain(*args)
1847 """Proxy of C++ IMP::npctransport::Scoring class."""
1849 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1851 def __init__(self, owner_sd, data):
1852 """__init__(IMP::npctransport::Scoring self, SimulationData owner_sd, ::npctransport_proto::Assignment const & data) -> Scoring"""
1853 this = _IMP_npctransport.new_Scoring(owner_sd, data)
1855 self.this.append(this)
1856 except __builtin__.Exception:
1859 def get_scoring_function(self, force_update=False):
1861 get_scoring_function(Scoring self, bool force_update=False) -> ScoringFunction
1862 get_scoring_function(Scoring self) -> ScoringFunction
1864 return _IMP_npctransport.Scoring_get_scoring_function(self, force_update)
1867 def get_scoring_function_restraints(self, force_update=False):
1869 get_scoring_function_restraints(Scoring self, bool force_update=False) -> IMP::Restraints
1870 get_scoring_function_restraints(Scoring self) -> IMP::Restraints
1872 return _IMP_npctransport.Scoring_get_scoring_function_restraints(self, force_update)
1875 def get_custom_scoring_function(self, *args):
1877 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, _SingletonContainerAdaptor non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads, bool is_attr_interactions_on=True) -> ScoringFunction
1878 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, _SingletonContainerAdaptor non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> ScoringFunction
1879 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads, bool is_attr_interactions_on=True) -> ScoringFunction
1880 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> ScoringFunction
1882 return _IMP_npctransport.Scoring_get_custom_scoring_function(self, *args)
1885 def get_close_beads_container(self, update=False):
1887 get_close_beads_container(Scoring self, bool update=False) -> PairContainer
1888 get_close_beads_container(Scoring self) -> PairContainer
1890 return _IMP_npctransport.Scoring_get_close_beads_container(self, update)
1893 def get_predicates_pair_restraint(self, update=False):
1895 get_predicates_pair_restraint(Scoring self, bool update=False) -> PredicatePairsRestraint
1896 get_predicates_pair_restraint(Scoring self) -> PredicatePairsRestraint
1898 return _IMP_npctransport.Scoring_get_predicates_pair_restraint(self, update)
1901 def get_bounding_box_restraint(self, update=False):
1903 get_bounding_box_restraint(Scoring self, bool update=False) -> Restraint
1904 get_bounding_box_restraint(Scoring self) -> Restraint
1906 return _IMP_npctransport.Scoring_get_bounding_box_restraint(self, update)
1909 def get_slab_restraint(self, update=False):
1911 get_slab_restraint(Scoring self, bool update=False) -> Restraint
1912 get_slab_restraint(Scoring self) -> Restraint
1914 return _IMP_npctransport.Scoring_get_slab_restraint(self, update)
1917 def add_interaction(self, idata):
1918 """add_interaction(Scoring self, ::npctransport_proto::Assignment_InteractionAssignment const & idata)"""
1919 return _IMP_npctransport.Scoring_add_interaction(self, idata)
1922 def create_close_beads_container(self, *args):
1924 create_close_beads_container(Scoring self, _SingletonContainerAdaptor non_optimiziable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1925 create_close_beads_container(Scoring self, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1927 return _IMP_npctransport.Scoring_create_close_beads_container(self, *args)
1930 def create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on=True):
1932 create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs, bool is_attr_interactions_on=True) -> PredicatePairsRestraint
1933 create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs) -> PredicatePairsRestraint
1935 return _IMP_npctransport.Scoring_create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on)
1938 def create_bounding_box_restraint(self, beads):
1939 """create_bounding_box_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1940 return _IMP_npctransport.Scoring_create_bounding_box_restraint(self, beads)
1943 def create_slab_restraint(self, beads):
1944 """create_slab_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1945 return _IMP_npctransport.Scoring_create_slab_restraint(self, beads)
1948 def get_model(self):
1949 """get_model(Scoring self) -> Model"""
1950 return _IMP_npctransport.Scoring_get_model(self)
1954 """get_sd(Scoring self) -> SimulationData"""
1955 return _IMP_npctransport.Scoring_get_sd(self)
1958 def get_has_bounding_box(self):
1959 """get_has_bounding_box(Scoring self) -> bool"""
1960 return _IMP_npctransport.Scoring_get_has_bounding_box(self)
1963 def get_default_backbone_k(self):
1964 """get_default_backbone_k(Scoring self) -> double"""
1965 return _IMP_npctransport.Scoring_get_default_backbone_k(self)
1968 def get_is_backbone_harmonic(self):
1969 """get_is_backbone_harmonic(Scoring self) -> bool"""
1970 return _IMP_npctransport.Scoring_get_is_backbone_harmonic(self)
1973 def get_excluded_volume_k(self):
1974 """get_excluded_volume_k(Scoring self) -> double"""
1975 return _IMP_npctransport.Scoring_get_excluded_volume_k(self)
1978 def get_interaction_k(self):
1979 """get_interaction_k(Scoring self) -> double"""
1980 return _IMP_npctransport.Scoring_get_interaction_k(self)
1983 def get_predicate_pair_score(self, *args):
1985 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1986 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1988 return _IMP_npctransport.Scoring_get_predicate_pair_score(self, *args)
1991 def get_interaction_range_for(self, t1, t2, site_specific=True, non_specific=False):
1993 get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True, bool non_specific=False) -> double
1994 get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True) -> double
1995 get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2) -> double
1997 return _IMP_npctransport.Scoring_get_interaction_range_for(self, t1, t2, site_specific, non_specific)
2000 def get_ordered_type_pair_predicate(self):
2001 """get_ordered_type_pair_predicate(Scoring self) -> OrderedTypePairPredicate"""
2002 return _IMP_npctransport.Scoring_get_ordered_type_pair_predicate(self)
2005 def add_chain_restraints(self, chain):
2006 """add_chain_restraints(Scoring self, FGChain chain)"""
2007 return _IMP_npctransport.Scoring_add_chain_restraints(self, chain)
2010 def get_chain_restraints_on(self, beads):
2011 """get_chain_restraints_on(Scoring self, _SingletonContainerAdaptor beads) -> IMP::Restraints"""
2012 return _IMP_npctransport.Scoring_get_chain_restraints_on(self, beads)
2015 def get_all_chain_restraints(self):
2016 """get_all_chain_restraints(Scoring self) -> IMP::Restraints"""
2017 return _IMP_npctransport.Scoring_get_all_chain_restraints(self)
2020 def add_z_bias_restraint(self, *args):
2022 add_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k)
2023 add_z_bias_restraint(Scoring self, Particle p, double k)
2025 return _IMP_npctransport.Scoring_add_z_bias_restraint(self, *args)
2028 def get_z_bias_restraints(self):
2029 """get_z_bias_restraints(Scoring self) -> IMP::Restraints"""
2030 return _IMP_npctransport.Scoring_get_z_bias_restraints(self)
2033 def create_z_bias_restraint(self, ps, k):
2034 """create_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k) -> Restraint"""
2035 return _IMP_npctransport.Scoring_create_z_bias_restraint(self, ps, k)
2038 def add_custom_restraint(self, r):
2039 """add_custom_restraint(Scoring self, Restraint r)"""
2040 return _IMP_npctransport.Scoring_add_custom_restraint(self, r)
2043 def add_custom_restraints(self, R):
2044 """add_custom_restraints(Scoring self, IMP::Restraints R)"""
2045 return _IMP_npctransport.Scoring_add_custom_restraints(self, R)
2048 def clear_custom_restraints(self):
2049 """clear_custom_restraints(Scoring self)"""
2050 return _IMP_npctransport.Scoring_clear_custom_restraints(self)
2053 def get_custom_restraints(self):
2054 """get_custom_restraints(Scoring self) -> IMP::Restraints"""
2055 return _IMP_npctransport.Scoring_get_custom_restraints(self)
2058 def add_restrained_anchor_bead(self, p):
2059 """add_restrained_anchor_bead(Scoring self, Particle p)"""
2060 return _IMP_npctransport.Scoring_add_restrained_anchor_bead(self, p)
2063 def get_pore_radius_restraint(self):
2064 """get_pore_radius_restraint(Scoring self) -> Restraint"""
2065 return _IMP_npctransport.Scoring_get_pore_radius_restraint(self)
2068 def get_range(self):
2069 """get_range(Scoring self) -> double"""
2070 return _IMP_npctransport.Scoring_get_range(self)
2073 def set_interaction_range_factor(self, type, value):
2074 """set_interaction_range_factor(Scoring self, ParticleType type, double value)"""
2075 return _IMP_npctransport.Scoring_set_interaction_range_factor(self, type, value)
2078 def set_interaction_k_factor(self, type, value):
2079 """set_interaction_k_factor(Scoring self, ParticleType type, double value)"""
2080 return _IMP_npctransport.Scoring_set_interaction_k_factor(self, type, value)
2083 def get_version_info(self):
2084 """get_version_info(Scoring self) -> VersionInfo"""
2085 return _IMP_npctransport.Scoring_get_version_info(self)
2089 """__str__(Scoring self) -> std::string"""
2090 return _IMP_npctransport.Scoring___str__(self)
2094 """__repr__(Scoring self) -> std::string"""
2095 return _IMP_npctransport.Scoring___repr__(self)
2100 return _object_cast_to_Scoring(o)
2102 Scoring_swigregister = _IMP_npctransport.Scoring_swigregister
2103 Scoring_swigregister(Scoring)
2105 class timer(object):
2106 """Proxy of C++ boost::timer class."""
2108 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2109 __repr__ = _swig_repr
2112 """__init__(boost::timer self) -> timer"""
2113 this = _IMP_npctransport.new_timer()
2115 self.this.append(this)
2116 except __builtin__.Exception:
2118 __swig_destroy__ = _IMP_npctransport.delete_timer
2119 __del__ =
lambda self:
None
2120 timer_swigregister = _IMP_npctransport.timer_swigregister
2121 timer_swigregister(timer)
2124 """Proxy of C++ IMP::npctransport::Statistics class."""
2126 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2128 def __init__(self, sd, statistics_interval_frames, output_file_name):
2129 """__init__(IMP::npctransport::Statistics self, SimulationData sd, unsigned int statistics_interval_frames, std::string output_file_name) -> Statistics"""
2130 this = _IMP_npctransport.new_Statistics(sd, statistics_interval_frames, output_file_name)
2132 self.this.append(this)
2133 except __builtin__.Exception:
2136 def add_fg_chain_stats(self, fg_chain):
2137 """add_fg_chain_stats(Statistics self, FGChain fg_chain)"""
2138 return _IMP_npctransport.Statistics_add_fg_chain_stats(self, fg_chain)
2141 def add_floater_stats(self, p):
2142 """add_floater_stats(Statistics self, Particle p)"""
2143 return _IMP_npctransport.Statistics_add_floater_stats(self, p)
2146 def add_interaction_stats(self, type0, type1):
2147 """add_interaction_stats(Statistics self, ParticleType type0, ParticleType type1)"""
2148 return _IMP_npctransport.Statistics_add_interaction_stats(self, type0, type1)
2151 def add_optimizer_states(self, o=None):
2153 add_optimizer_states(Statistics self, Optimizer o=None) -> IMP::OptimizerStates
2154 add_optimizer_states(Statistics self) -> IMP::OptimizerStates
2156 return _IMP_npctransport.Statistics_add_optimizer_states(self, o)
2159 def update_particle_type_zr_distribution_map(self, p):
2160 """update_particle_type_zr_distribution_map(Statistics self, Particle p)"""
2161 return _IMP_npctransport.Statistics_update_particle_type_zr_distribution_map(self, p)
2164 def update_particle_type_xyz_distribution_map(self, p):
2165 """update_particle_type_xyz_distribution_map(Statistics self, Particle p)"""
2166 return _IMP_npctransport.Statistics_update_particle_type_xyz_distribution_map(self, p)
2169 def update(self, timer, nf_new=1):
2171 update(Statistics self, timer timer, unsigned int nf_new=1)
2172 update(Statistics self, timer timer)
2174 return _IMP_npctransport.Statistics_update(self, timer, nf_new)
2177 def reset_statistics_optimizer_states(self):
2178 """reset_statistics_optimizer_states(Statistics self)"""
2179 return _IMP_npctransport.Statistics_reset_statistics_optimizer_states(self)
2182 def set_interrupted(self, tf):
2183 """set_interrupted(Statistics self, bool tf)"""
2184 return _IMP_npctransport.Statistics_set_interrupted(self, tf)
2187 def get_model(self):
2188 """get_model(Statistics self) -> Model"""
2189 return _IMP_npctransport.Statistics_get_model(self)
2193 """get_sd(Statistics self) -> SimulationData"""
2194 return _IMP_npctransport.Statistics_get_sd(self)
2197 def get_is_activated(self):
2198 """get_is_activated(Statistics self) -> bool"""
2199 return _IMP_npctransport.Statistics_get_is_activated(self)
2202 def get_output_file_name(self):
2203 """get_output_file_name(Statistics self) -> std::string"""
2204 return _IMP_npctransport.Statistics_get_output_file_name(self)
2207 def get_version_info(self):
2208 """get_version_info(Statistics self) -> VersionInfo"""
2209 return _IMP_npctransport.Statistics_get_version_info(self)
2213 """__str__(Statistics self) -> std::string"""
2214 return _IMP_npctransport.Statistics___str__(self)
2218 """__repr__(Statistics self) -> std::string"""
2219 return _IMP_npctransport.Statistics___repr__(self)
2224 return _object_cast_to_Statistics(o)
2226 Statistics_swigregister = _IMP_npctransport.Statistics_swigregister
2227 Statistics_swigregister(Statistics)
2230 def create_boost_timer():
2231 """create_boost_timer() -> timer"""
2232 return _IMP_npctransport.create_boost_timer()
2233 IMPNPCTRANSPORT_VERSION = _IMP_npctransport.IMPNPCTRANSPORT_VERSION
2235 """Proxy of C++ IMP::npctransport::SimulationData class."""
2237 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2239 def get_output_npctransport_version(self):
2240 """get_output_npctransport_version(SimulationData self) -> double"""
2241 return _IMP_npctransport.SimulationData_get_output_npctransport_version(self)
2244 def get_range(self):
2245 """get_range(SimulationData self) -> double"""
2246 return _IMP_npctransport.SimulationData_get_range(self)
2249 def get_output_statistics_interval_frames(self):
2250 """get_output_statistics_interval_frames(SimulationData self) -> int"""
2251 return _IMP_npctransport.SimulationData_get_output_statistics_interval_frames(self)
2254 def get_is_exclude_floaters_from_slab_initially(self):
2255 """get_is_exclude_floaters_from_slab_initially(SimulationData self) -> bool"""
2256 return _IMP_npctransport.SimulationData_get_is_exclude_floaters_from_slab_initially(self)
2259 def get_are_floaters_on_one_slab_side(self):
2260 """get_are_floaters_on_one_slab_side(SimulationData self) -> bool"""
2261 return _IMP_npctransport.SimulationData_get_are_floaters_on_one_slab_side(self)
2264 def get_is_xyz_hist_stats(self):
2265 """get_is_xyz_hist_stats(SimulationData self) -> bool"""
2266 return _IMP_npctransport.SimulationData_get_is_xyz_hist_stats(self)
2269 def get_angular_d_factor(self):
2270 """get_angular_d_factor(SimulationData self) -> double"""
2271 return _IMP_npctransport.SimulationData_get_angular_d_factor(self)
2276 __init__(IMP::npctransport::SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name, std::string new_output_file) -> SimulationData
2277 __init__(IMP::npctransport::SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name) -> SimulationData
2278 __init__(IMP::npctransport::SimulationData self, std::string prev_output_file, bool quick) -> SimulationData
2280 this = _IMP_npctransport.new_SimulationData(*args)
2282 self.this.append(this)
2283 except __builtin__.Exception:
2286 def get_model(self):
2287 """get_model(SimulationData self) -> Model"""
2288 return _IMP_npctransport.SimulationData_get_model(self)
2291 def get_scoring(self):
2292 """get_scoring(SimulationData self) -> Scoring"""
2293 return _IMP_npctransport.SimulationData_get_scoring(self)
2296 def get_statistics(self):
2297 """get_statistics(SimulationData self) -> Statistics"""
2298 return _IMP_npctransport.SimulationData_get_statistics(self)
2301 def get_bd(self, recreate=False):
2303 get_bd(SimulationData self, bool recreate=False) -> BrownianDynamics
2304 get_bd(SimulationData self) -> BrownianDynamics
2306 return _IMP_npctransport.SimulationData_get_bd(self, recreate)
2309 def activate_statistics(self):
2310 """activate_statistics(SimulationData self)"""
2311 return _IMP_npctransport.SimulationData_activate_statistics(self)
2314 def get_statistics_fraction(self):
2315 """get_statistics_fraction(SimulationData self) -> double"""
2316 return _IMP_npctransport.SimulationData_get_statistics_fraction(self)
2319 def get_is_fg_bead(self, *args):
2321 get_is_fg_bead(SimulationData self, ParticleIndex pi) -> bool
2322 get_is_fg_bead(SimulationData self, ParticleType pt) -> bool
2324 return _IMP_npctransport.SimulationData_get_is_fg_bead(self, *args)
2327 def get_is_fg_chain(self, *args):
2329 get_is_fg_chain(SimulationData self, ParticleIndex pi) -> bool
2330 get_is_fg_chain(SimulationData self, ParticleType pt) -> bool
2332 return _IMP_npctransport.SimulationData_get_is_fg_chain(self, *args)
2335 def get_fg_bead_types(self):
2336 """get_fg_bead_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2337 return _IMP_npctransport.SimulationData_get_fg_bead_types(self)
2340 def get_fg_chain_types(self):
2341 """get_fg_chain_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2342 return _IMP_npctransport.SimulationData_get_fg_chain_types(self)
2345 def get_floater_types(self):
2346 """get_floater_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2347 return _IMP_npctransport.SimulationData_get_floater_types(self)
2350 def get_obstacle_types(self):
2351 """get_obstacle_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2352 return _IMP_npctransport.SimulationData_get_obstacle_types(self)
2355 def get_fg_chain_roots(self):
2356 """get_fg_chain_roots(SimulationData self) -> IMP::atom::Hierarchies"""
2357 return _IMP_npctransport.SimulationData_get_fg_chain_roots(self)
2360 def get_fg_chains(self):
2361 """get_fg_chains(SimulationData self) -> IMP::atom::Hierarchies"""
2362 return _IMP_npctransport.SimulationData_get_fg_chains(self)
2365 def get_obstacle_particles(self):
2366 """get_obstacle_particles(SimulationData self) -> IMP::ParticlesTemp"""
2367 return _IMP_npctransport.SimulationData_get_obstacle_particles(self)
2370 def get_beads(self):
2371 """get_beads(SimulationData self) -> IMP::ParticlesTemp"""
2372 return _IMP_npctransport.SimulationData_get_beads(self)
2375 def get_optimizable_beads(self):
2376 """get_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2377 return _IMP_npctransport.SimulationData_get_optimizable_beads(self)
2380 def get_non_optimizable_beads(self):
2381 """get_non_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2382 return _IMP_npctransport.SimulationData_get_non_optimizable_beads(self)
2385 def get_is_backbone_harmonic(self):
2386 """get_is_backbone_harmonic(SimulationData self) -> bool"""
2387 return _IMP_npctransport.SimulationData_get_is_backbone_harmonic(self)
2390 def get_backbone_tau_ns(self):
2391 """get_backbone_tau_ns(SimulationData self) -> double"""
2392 return _IMP_npctransport.SimulationData_get_backbone_tau_ns(self)
2395 def get_temperature_k(self):
2396 """get_temperature_k(SimulationData self) -> double"""
2397 return _IMP_npctransport.SimulationData_get_temperature_k(self)
2400 def get_initial_simulation_time_ns(self):
2401 """get_initial_simulation_time_ns(SimulationData self) -> double"""
2402 return _IMP_npctransport.SimulationData_get_initial_simulation_time_ns(self)
2405 def get_site_centers(self, t0):
2406 """get_site_centers(SimulationData self, ParticleType t0) -> IMP::algebra::Vector3Ds"""
2407 return _IMP_npctransport.SimulationData_get_site_centers(self, t0)
2410 def get_sites(self, t0):
2411 """get_sites(SimulationData self, ParticleType t0) -> IMP::algebra::Sphere3Ds"""
2412 return _IMP_npctransport.SimulationData_get_sites(self, t0)
2415 def set_sites(self, *args):
2417 set_sites(SimulationData self, ParticleType t0, int n, double r, double sr)
2418 set_sites(SimulationData self, ParticleType t0, IMP::algebra::Sphere3Ds const & sites)
2420 return _IMP_npctransport.SimulationData_set_sites(self, *args)
2423 def get_site_display_radius(self, arg2):
2424 """get_site_display_radius(SimulationData self, ParticleType arg2) -> double"""
2425 return _IMP_npctransport.SimulationData_get_site_display_radius(self, arg2)
2428 def get_maximum_number_of_minutes(self):
2429 """get_maximum_number_of_minutes(SimulationData self) -> double"""
2430 return _IMP_npctransport.SimulationData_get_maximum_number_of_minutes(self)
2434 """get_box(SimulationData self) -> BoundingBox3D"""
2435 return _IMP_npctransport.SimulationData_get_box(self)
2438 def get_box_size(self):
2439 """get_box_size(SimulationData self) -> double"""
2440 return _IMP_npctransport.SimulationData_get_box_size(self)
2443 def set_box_size(self, box_size):
2444 """set_box_size(SimulationData self, double box_size)"""
2445 return _IMP_npctransport.SimulationData_set_box_size(self, box_size)
2448 def get_has_slab(self):
2449 """get_has_slab(SimulationData self) -> bool"""
2450 return _IMP_npctransport.SimulationData_get_has_slab(self)
2453 def get_is_slab_with_cylindrical_pore(self):
2454 """get_is_slab_with_cylindrical_pore(SimulationData self) -> bool"""
2455 return _IMP_npctransport.SimulationData_get_is_slab_with_cylindrical_pore(self)
2458 def get_is_slab_with_toroidal_pore(self):
2459 """get_is_slab_with_toroidal_pore(SimulationData self) -> bool"""
2460 return _IMP_npctransport.SimulationData_get_is_slab_with_toroidal_pore(self)
2463 def get_slab_particle(self):
2464 """get_slab_particle(SimulationData self) -> Particle"""
2465 return _IMP_npctransport.SimulationData_get_slab_particle(self)
2468 def get_cylinder(self):
2469 """get_cylinder(SimulationData self) -> Cylinder3D"""
2470 return _IMP_npctransport.SimulationData_get_cylinder(self)
2473 def get_has_bounding_box(self):
2474 """get_has_bounding_box(SimulationData self) -> bool"""
2475 return _IMP_npctransport.SimulationData_get_has_bounding_box(self)
2478 def initialize_positions_from_rmf(self, fh, frame_number=-1):
2480 initialize_positions_from_rmf(SimulationData self, FileConstHandle fh, int frame_number=-1)
2481 initialize_positions_from_rmf(SimulationData self, FileConstHandle fh)
2483 return _IMP_npctransport.SimulationData_initialize_positions_from_rmf(self, fh, frame_number)
2486 def link_rmf_file_handle(self, fh, is_restraints=True):
2488 link_rmf_file_handle(SimulationData self, FileHandle fh, bool is_restraints=True)
2489 link_rmf_file_handle(SimulationData self, FileHandle fh)
2491 return _IMP_npctransport.SimulationData_link_rmf_file_handle(self, fh, is_restraints)
2494 def get_rmf_sos_writer(self):
2495 """get_rmf_sos_writer(SimulationData self) -> SaveOptimizerState"""
2496 return _IMP_npctransport.SimulationData_get_rmf_sos_writer(self)
2499 def reset_rmf(self):
2500 """reset_rmf(SimulationData self)"""
2501 return _IMP_npctransport.SimulationData_reset_rmf(self)
2504 def switch_suspend_rmf(self, suspend):
2505 """switch_suspend_rmf(SimulationData self, bool suspend)"""
2506 return _IMP_npctransport.SimulationData_switch_suspend_rmf(self, suspend)
2509 def write_geometry(self, out):
2510 """write_geometry(SimulationData self, std::string out)"""
2511 return _IMP_npctransport.SimulationData_write_geometry(self, out)
2514 def dump_geometry(self):
2515 """dump_geometry(SimulationData self)"""
2516 return _IMP_npctransport.SimulationData_dump_geometry(self)
2519 def get_root_of_type(self, type):
2520 """get_root_of_type(SimulationData self, ParticleType type) -> Hierarchy"""
2521 return _IMP_npctransport.SimulationData_get_root_of_type(self, type)
2525 """get_number_of_frames(SimulationData self) -> unsigned int"""
2526 return _IMP_npctransport.SimulationData_get_number_of_frames(self)
2529 def get_number_of_trials(self):
2530 """get_number_of_trials(SimulationData self) -> unsigned int"""
2531 return _IMP_npctransport.SimulationData_get_number_of_trials(self)
2535 """get_root(SimulationData self) -> Hierarchy"""
2536 return _IMP_npctransport.SimulationData_get_root(self)
2539 def get_slab_thickness(self):
2540 """get_slab_thickness(SimulationData self) -> double"""
2541 return _IMP_npctransport.SimulationData_get_slab_thickness(self)
2544 def get_tunnel_radius(self):
2545 """get_tunnel_radius(SimulationData self) -> double"""
2546 return _IMP_npctransport.SimulationData_get_tunnel_radius(self)
2549 def get_pore_radius(self):
2550 """get_pore_radius(SimulationData self) -> double"""
2551 return _IMP_npctransport.SimulationData_get_pore_radius(self)
2554 def get_tunnel_radius_k(self):
2555 """get_tunnel_radius_k(SimulationData self) -> double"""
2556 return _IMP_npctransport.SimulationData_get_tunnel_radius_k(self)
2559 def get_pore_radius_k(self):
2560 """get_pore_radius_k(SimulationData self) -> double"""
2561 return _IMP_npctransport.SimulationData_get_pore_radius_k(self)
2564 def get_is_pore_radius_dynamic(self):
2565 """get_is_pore_radius_dynamic(SimulationData self) -> bool"""
2566 return _IMP_npctransport.SimulationData_get_is_pore_radius_dynamic(self)
2569 def get_pore_anchored_beads_k(self):
2570 """get_pore_anchored_beads_k(SimulationData self) -> double"""
2571 return _IMP_npctransport.SimulationData_get_pore_anchored_beads_k(self)
2574 def get_static_geometry(self):
2575 """get_static_geometry(SimulationData self) -> Geometry"""
2576 return _IMP_npctransport.SimulationData_get_static_geometry(self)
2579 def get_rmf_dump_interval_frames(self):
2580 """get_rmf_dump_interval_frames(SimulationData self) -> int"""
2581 return _IMP_npctransport.SimulationData_get_rmf_dump_interval_frames(self)
2584 def get_rmf_file_name(self):
2585 """get_rmf_file_name(SimulationData self) -> std::string"""
2586 return _IMP_npctransport.SimulationData_get_rmf_file_name(self)
2589 def set_rmf_file(self, new_name, is_save_restraints_to_rmf=True):
2591 set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True)
2592 set_rmf_file(SimulationData self, std::string const & new_name)
2594 return _IMP_npctransport.SimulationData_set_rmf_file(self, new_name, is_save_restraints_to_rmf)
2597 def get_version_info(self):
2598 """get_version_info(SimulationData self) -> VersionInfo"""
2599 return _IMP_npctransport.SimulationData_get_version_info(self)
2603 """__str__(SimulationData self) -> std::string"""
2604 return _IMP_npctransport.SimulationData___str__(self)
2608 """__repr__(SimulationData self) -> std::string"""
2609 return _IMP_npctransport.SimulationData___repr__(self)
2614 return _object_cast_to_SimulationData(o)
2616 SimulationData_swigregister = _IMP_npctransport.SimulationData_swigregister
2617 SimulationData_swigregister(SimulationData)
2620 def get_simulation_data_key():
2621 """get_simulation_data_key() -> IMP::WeakObjectKey"""
2622 return _IMP_npctransport.get_simulation_data_key()
2624 def write_geometry(kaps, kap_sites, chains, chain_sites, rs, out):
2625 """write_geometry(IMP::ParticlesTemp const & kaps, IMP::algebra::Sphere3Ds const & kap_sites, IMP::ParticlesTemp const & chains, IMP::algebra::Sphere3Ds const & chain_sites, IMP::RestraintsTemp const & rs, Writer out)"""
2626 return _IMP_npctransport.write_geometry(kaps, kap_sites, chains, chain_sites, rs, out)
2628 """Proxy of C++ IMP::npctransport::ParticleFactory class."""
2630 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2631 sd_ = _swig_property(_IMP_npctransport.ParticleFactory_sd__get, _IMP_npctransport.ParticleFactory_sd__set)
2632 radius_ = _swig_property(_IMP_npctransport.ParticleFactory_radius__get, _IMP_npctransport.ParticleFactory_radius__set)
2633 D_factor_ = _swig_property(_IMP_npctransport.ParticleFactory_D_factor__get, _IMP_npctransport.ParticleFactory_D_factor__set)
2634 angular_D_factor_ = _swig_property(_IMP_npctransport.ParticleFactory_angular_D_factor__get, _IMP_npctransport.ParticleFactory_angular_D_factor__set)
2635 color_ = _swig_property(_IMP_npctransport.ParticleFactory_color__get, _IMP_npctransport.ParticleFactory_color__set)
2636 type_ = _swig_property(_IMP_npctransport.ParticleFactory_type__get, _IMP_npctransport.ParticleFactory_type__set)
2640 __init__(IMP::npctransport::ParticleFactory self, SimulationData sd, double radius, double D_factor, double angular_D_factor, Color color, ParticleType type, std::string name) -> ParticleFactory
2641 __init__(IMP::npctransport::ParticleFactory self, SimulationData sd, double radius, double D_factor, double angular_D_factor, Color color, ParticleType type) -> ParticleFactory
2643 this = _IMP_npctransport.new_ParticleFactory(*args)
2645 self.this.append(this)
2646 except __builtin__.Exception:
2649 def create(self, *args):
2651 create(ParticleFactory self, std::string name) -> Particle
2652 create(ParticleFactory self) -> Particle
2654 return _IMP_npctransport.ParticleFactory_create(self, *args)
2657 def get_model(self):
2658 """get_model(ParticleFactory self) -> Model"""
2659 return _IMP_npctransport.ParticleFactory_get_model(self)
2662 def get_simulation_data(self):
2663 """get_simulation_data(ParticleFactory self) -> SimulationData"""
2664 return _IMP_npctransport.ParticleFactory_get_simulation_data(self)
2667 def get_radius(self):
2668 """get_radius(ParticleFactory self) -> double"""
2669 return _IMP_npctransport.ParticleFactory_get_radius(self)
2672 def get_version_info(self):
2673 """get_version_info(ParticleFactory self) -> VersionInfo"""
2674 return _IMP_npctransport.ParticleFactory_get_version_info(self)
2678 """__str__(ParticleFactory self) -> std::string"""
2679 return _IMP_npctransport.ParticleFactory___str__(self)
2683 """__repr__(ParticleFactory self) -> std::string"""
2684 return _IMP_npctransport.ParticleFactory___repr__(self)
2689 return _object_cast_to_ParticleFactory(o)
2691 ParticleFactory_swigregister = _IMP_npctransport.ParticleFactory_swigregister
2692 ParticleFactory_swigregister(ParticleFactory)
2695 """Proxy of C++ IMP::npctransport::HierarchyWithSitesLoadLink class."""
2697 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2700 """__init__(IMP::npctransport::HierarchyWithSitesLoadLink self, FileConstHandle fh) -> HierarchyWithSitesLoadLink"""
2701 this = _IMP_npctransport.new_HierarchyWithSitesLoadLink(fh)
2703 self.this.append(this)
2704 except __builtin__.Exception:
2708 """get_name() -> char const *"""
2709 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2711 get_name = staticmethod(get_name)
2714 """__str__(HierarchyWithSitesLoadLink self) -> std::string"""
2715 return _IMP_npctransport.HierarchyWithSitesLoadLink___str__(self)
2719 """__repr__(HierarchyWithSitesLoadLink self) -> std::string"""
2720 return _IMP_npctransport.HierarchyWithSitesLoadLink___repr__(self)
2725 return _object_cast_to_HierarchyWithSitesLoadLink(o)
2727 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesLoadLink
2728 __del__ =
lambda self:
None
2729 HierarchyWithSitesLoadLink_swigregister = _IMP_npctransport.HierarchyWithSitesLoadLink_swigregister
2730 HierarchyWithSitesLoadLink_swigregister(HierarchyWithSitesLoadLink)
2732 def HierarchyWithSitesLoadLink_get_name():
2733 """HierarchyWithSitesLoadLink_get_name() -> char const *"""
2734 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2737 """Proxy of C++ IMP::npctransport::HierarchyWithSitesSaveLink class."""
2739 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2742 """__init__(IMP::npctransport::HierarchyWithSitesSaveLink self, FileHandle fh) -> HierarchyWithSitesSaveLink"""
2743 this = _IMP_npctransport.new_HierarchyWithSitesSaveLink(fh)
2745 self.this.append(this)
2746 except __builtin__.Exception:
2750 """get_name() -> char const *"""
2751 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2753 get_name = staticmethod(get_name)
2756 """__str__(HierarchyWithSitesSaveLink self) -> std::string"""
2757 return _IMP_npctransport.HierarchyWithSitesSaveLink___str__(self)
2761 """__repr__(HierarchyWithSitesSaveLink self) -> std::string"""
2762 return _IMP_npctransport.HierarchyWithSitesSaveLink___repr__(self)
2767 return _object_cast_to_HierarchyWithSitesSaveLink(o)
2769 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesSaveLink
2770 __del__ =
lambda self:
None
2771 HierarchyWithSitesSaveLink_swigregister = _IMP_npctransport.HierarchyWithSitesSaveLink_swigregister
2772 HierarchyWithSitesSaveLink_swigregister(HierarchyWithSitesSaveLink)
2774 def HierarchyWithSitesSaveLink_get_name():
2775 """HierarchyWithSitesSaveLink_get_name() -> char const *"""
2776 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2781 add_test_sites(FileHandle fh, ParticleType t, double display_radius, IMP::algebra::Vector3Ds sites)
2782 add_test_sites(FileHandle fh, ParticleType t, IMP::algebra::Sphere3Ds sites)
2784 return _IMP_npctransport.add_test_sites(*args)
2788 add_hierarchies_with_sites(FileHandle fh, IMP::atom::Hierarchies const & hs)
2789 add_hierarchies_with_sites(NodeHandle fh, IMP::atom::Hierarchies const & hs)
2791 return _IMP_npctransport.add_hierarchies_with_sites(*args)
2794 """add_hierarchy_with_sites(FileHandle fh, Hierarchy hs)"""
2795 return _IMP_npctransport.add_hierarchy_with_sites(fh, hs)
2798 """create_hierarchies_with_sites(FileConstHandle fh, Model m) -> IMP::atom::Hierarchies"""
2799 return _IMP_npctransport.create_hierarchies_with_sites(fh, m)
2802 """link_hierarchies_with_sites(FileConstHandle fh, IMP::atom::Hierarchies const & hs)"""
2803 return _IMP_npctransport.link_hierarchies_with_sites(fh, hs)
2805 """Proxy of C++ IMP::npctransport::Transporting class."""
2807 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2811 __init__(IMP::npctransport::Transporting self) -> Transporting
2812 __init__(IMP::npctransport::Transporting self, Model m, ParticleIndex id) -> Transporting
2813 __init__(IMP::npctransport::Transporting self, _ParticleAdaptor d) -> Transporting
2815 this = _IMP_npctransport.new_Transporting(*args)
2817 self.this.append(this)
2818 except __builtin__.Exception:
2821 def show(self, *args):
2823 show(Transporting self, _ostream out)
2824 show(Transporting self)
2826 return _IMP_npctransport.Transporting_show(self, *args)
2829 def setup_particle(*args):
2831 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
2832 setup_particle(Model m, ParticleIndex pi) -> Transporting
2833 setup_particle(_ParticleAdaptor decorator, bool is_last_entry_from_top=False) -> Transporting
2834 setup_particle(_ParticleAdaptor decorator) -> Transporting
2836 return _IMP_npctransport.Transporting_setup_particle(*args)
2838 setup_particle = staticmethod(setup_particle)
2840 def get_is_setup(*args):
2842 get_is_setup(_ParticleAdaptor p) -> bool
2843 get_is_setup(Model m, ParticleIndex pi) -> bool
2845 return _IMP_npctransport.Transporting_get_is_setup(*args)
2847 get_is_setup = staticmethod(get_is_setup)
2849 def set_is_last_entry_from_top(self, is_last_entry_from_top):
2850 """set_is_last_entry_from_top(Transporting self, bool is_last_entry_from_top)"""
2851 return _IMP_npctransport.Transporting_set_is_last_entry_from_top(self, is_last_entry_from_top)
2854 def get_is_last_entry_from_top(self):
2855 """get_is_last_entry_from_top(Transporting self) -> bool"""
2856 return _IMP_npctransport.Transporting_get_is_last_entry_from_top(self)
2859 def get_is_last_entry_from_top_key():
2860 """get_is_last_entry_from_top_key() -> IntKey"""
2861 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
2863 get_is_last_entry_from_top_key = staticmethod(get_is_last_entry_from_top_key)
2865 def set_last_tracked_z(self, last_tracked_z):
2866 """set_last_tracked_z(Transporting self, double last_tracked_z)"""
2867 return _IMP_npctransport.Transporting_set_last_tracked_z(self, last_tracked_z)
2870 def get_last_tracked_z(self):
2871 """get_last_tracked_z(Transporting self) -> double"""
2872 return _IMP_npctransport.Transporting_get_last_tracked_z(self)
2875 def get_last_tracked_z_key():
2876 """get_last_tracked_z_key() -> FloatKey"""
2877 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
2879 get_last_tracked_z_key = staticmethod(get_last_tracked_z_key)
2881 def set_n_entries_bottom(self, n):
2882 """set_n_entries_bottom(Transporting self, int n)"""
2883 return _IMP_npctransport.Transporting_set_n_entries_bottom(self, n)
2886 def get_n_entries_bottom(self):
2887 """get_n_entries_bottom(Transporting self) -> int"""
2888 return _IMP_npctransport.Transporting_get_n_entries_bottom(self)
2891 def get_n_entries_bottom_key():
2892 """get_n_entries_bottom_key() -> IntKey"""
2893 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
2895 get_n_entries_bottom_key = staticmethod(get_n_entries_bottom_key)
2897 def set_n_entries_top(self, n):
2898 """set_n_entries_top(Transporting self, int n)"""
2899 return _IMP_npctransport.Transporting_set_n_entries_top(self, n)
2902 def get_n_entries_top(self):
2903 """get_n_entries_top(Transporting self) -> int"""
2904 return _IMP_npctransport.Transporting_get_n_entries_top(self)
2907 def get_n_entries_top_key():
2908 """get_n_entries_top_key() -> IntKey"""
2909 return _IMP_npctransport.Transporting_get_n_entries_top_key()
2911 get_n_entries_top_key = staticmethod(get_n_entries_top_key)
2913 def add_attribute(self, *args):
2915 add_attribute(Transporting self, FloatKey k, IMP::Float v, bool opt)
2916 add_attribute(Transporting self, FloatKey a0, IMP::Float a1)
2917 add_attribute(Transporting self, IntKey a0, IMP::Int a1)
2918 add_attribute(Transporting self, StringKey a0, IMP::String a1)
2919 add_attribute(Transporting self, ParticleIndexKey a0, Particle a1)
2920 add_attribute(Transporting self, ObjectKey a0, Object a1)
2922 return _IMP_npctransport.Transporting_add_attribute(self, *args)
2925 def get_value(self, *args):
2927 get_value(Transporting self, FloatKey a0) -> IMP::Float
2928 get_value(Transporting self, IntKey a0) -> IMP::Int
2929 get_value(Transporting self, StringKey a0) -> IMP::String
2930 get_value(Transporting self, ParticleIndexKey a0) -> Particle
2931 get_value(Transporting self, ObjectKey a0) -> Object
2933 return _IMP_npctransport.Transporting_get_value(self, *args)
2936 def set_value(self, *args):
2938 set_value(Transporting self, FloatKey a0, IMP::Float a1)
2939 set_value(Transporting self, IntKey a0, IMP::Int a1)
2940 set_value(Transporting self, StringKey a0, IMP::String a1)
2941 set_value(Transporting self, ParticleIndexKey a0, Particle a1)
2942 set_value(Transporting self, ObjectKey a0, Object a1)
2944 return _IMP_npctransport.Transporting_set_value(self, *args)
2947 def remove_attribute(self, *args):
2949 remove_attribute(Transporting self, FloatKey a0)
2950 remove_attribute(Transporting self, IntKey a0)
2951 remove_attribute(Transporting self, StringKey a0)
2952 remove_attribute(Transporting self, ParticleIndexKey a0)
2953 remove_attribute(Transporting self, ObjectKey a0)
2955 return _IMP_npctransport.Transporting_remove_attribute(self, *args)
2958 def has_attribute(self, *args):
2960 has_attribute(Transporting self, FloatKey a0) -> bool
2961 has_attribute(Transporting self, IntKey a0) -> bool
2962 has_attribute(Transporting self, StringKey a0) -> bool
2963 has_attribute(Transporting self, ParticleIndexKey a0) -> bool
2964 has_attribute(Transporting self, ObjectKey a0) -> bool
2966 return _IMP_npctransport.Transporting_has_attribute(self, *args)
2969 def get_derivative(self, a0):
2970 """get_derivative(Transporting self, FloatKey a0) -> double"""
2971 return _IMP_npctransport.Transporting_get_derivative(self, a0)
2975 """get_name(Transporting self) -> std::string"""
2976 return _IMP_npctransport.Transporting_get_name(self)
2979 def clear_caches(self):
2980 """clear_caches(Transporting self)"""
2981 return _IMP_npctransport.Transporting_clear_caches(self)
2984 def set_name(self, a0):
2985 """set_name(Transporting self, std::string a0)"""
2986 return _IMP_npctransport.Transporting_set_name(self, a0)
2990 """set_check_level(Transporting self, IMP::CheckLevel a0)"""
2991 return _IMP_npctransport.Transporting_set_check_level(self, a0)
2994 def add_to_derivative(self, a0, a1, a2):
2995 """add_to_derivative(Transporting self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2996 return _IMP_npctransport.Transporting_add_to_derivative(self, a0, a1, a2)
2999 def set_is_optimized(self, a0, a1):
3000 """set_is_optimized(Transporting self, FloatKey a0, bool a1)"""
3001 return _IMP_npctransport.Transporting_set_is_optimized(self, a0, a1)
3004 def get_is_optimized(self, a0):
3005 """get_is_optimized(Transporting self, FloatKey a0) -> bool"""
3006 return _IMP_npctransport.Transporting_get_is_optimized(self, a0)
3010 """get_check_level(Transporting self) -> IMP::CheckLevel"""
3011 return _IMP_npctransport.Transporting_get_check_level(self)
3014 def __eq__(self, *args):
3016 __eq__(Transporting self, Transporting o) -> bool
3017 __eq__(Transporting self, Particle d) -> bool
3019 return _IMP_npctransport.Transporting___eq__(self, *args)
3022 def __ne__(self, *args):
3024 __ne__(Transporting self, Transporting o) -> bool
3025 __ne__(Transporting self, Particle d) -> bool
3027 return _IMP_npctransport.Transporting___ne__(self, *args)
3030 def __le__(self, *args):
3032 __le__(Transporting self, Transporting o) -> bool
3033 __le__(Transporting self, Particle d) -> bool
3035 return _IMP_npctransport.Transporting___le__(self, *args)
3038 def __lt__(self, *args):
3040 __lt__(Transporting self, Transporting o) -> bool
3041 __lt__(Transporting self, Particle d) -> bool
3043 return _IMP_npctransport.Transporting___lt__(self, *args)
3046 def __ge__(self, *args):
3048 __ge__(Transporting self, Transporting o) -> bool
3049 __ge__(Transporting self, Particle d) -> bool
3051 return _IMP_npctransport.Transporting___ge__(self, *args)
3054 def __gt__(self, *args):
3056 __gt__(Transporting self, Transporting o) -> bool
3057 __gt__(Transporting self, Particle d) -> bool
3059 return _IMP_npctransport.Transporting___gt__(self, *args)
3063 """__hash__(Transporting self) -> std::size_t"""
3064 return _IMP_npctransport.Transporting___hash__(self)
3068 """__str__(Transporting self) -> std::string"""
3069 return _IMP_npctransport.Transporting___str__(self)
3073 """__repr__(Transporting self) -> std::string"""
3074 return _IMP_npctransport.Transporting___repr__(self)
3076 __swig_destroy__ = _IMP_npctransport.delete_Transporting
3077 __del__ =
lambda self:
None
3078 Transporting_swigregister = _IMP_npctransport.Transporting_swigregister
3079 Transporting_swigregister(Transporting)
3081 def Transporting_setup_particle(*args):
3083 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
3084 setup_particle(Model m, ParticleIndex pi) -> Transporting
3085 setup_particle(_ParticleAdaptor decorator, bool is_last_entry_from_top=False) -> Transporting
3086 Transporting_setup_particle(_ParticleAdaptor decorator) -> Transporting
3088 return _IMP_npctransport.Transporting_setup_particle(*args)
3090 def Transporting_get_is_setup(*args):
3092 get_is_setup(_ParticleAdaptor p) -> bool
3093 Transporting_get_is_setup(Model m, ParticleIndex pi) -> bool
3095 return _IMP_npctransport.Transporting_get_is_setup(*args)
3097 def Transporting_get_is_last_entry_from_top_key():
3098 """Transporting_get_is_last_entry_from_top_key() -> IntKey"""
3099 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
3101 def Transporting_get_last_tracked_z_key():
3102 """Transporting_get_last_tracked_z_key() -> FloatKey"""
3103 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
3105 def Transporting_get_n_entries_bottom_key():
3106 """Transporting_get_n_entries_bottom_key() -> IntKey"""
3107 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
3109 def Transporting_get_n_entries_top_key():
3110 """Transporting_get_n_entries_top_key() -> IntKey"""
3111 return _IMP_npctransport.Transporting_get_n_entries_top_key()
3114 def show_ranges(fname):
3115 """show_ranges(std::string fname)"""
3116 return _IMP_npctransport.show_ranges(fname)
3118 def assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed):
3119 """assign_ranges(std::string input_config_fname, std::string output_assignment_fname, unsigned int work_unit, bool show_steps, boost::uint64_t random_seed) -> int"""
3120 return _IMP_npctransport.assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed)
3122 def get_number_of_work_units(configuration_file):
3123 """get_number_of_work_units(std::string configuration_file) -> int"""
3124 return _IMP_npctransport.get_number_of_work_units(configuration_file)
3126 """Proxy of C++ IMP::npctransport::SlabWithPore class."""
3128 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3132 __init__(IMP::npctransport::SlabWithPore self) -> SlabWithPore
3133 __init__(IMP::npctransport::SlabWithPore self, Model m, ParticleIndex id) -> SlabWithPore
3134 __init__(IMP::npctransport::SlabWithPore self, _ParticleAdaptor d) -> SlabWithPore
3136 this = _IMP_npctransport.new_SlabWithPore(*args)
3138 self.this.append(this)
3139 except __builtin__.Exception:
3142 def show(self, *args):
3144 show(SlabWithPore self, _ostream out)
3145 show(SlabWithPore self)
3147 return _IMP_npctransport.SlabWithPore_show(self, *args)
3150 def setup_particle(*args):
3152 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
3153 setup_particle(_ParticleAdaptor decorator, double thickness, double pore_radius) -> SlabWithPore
3155 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
3157 setup_particle = staticmethod(setup_particle)
3159 def get_is_setup(*args):
3161 get_is_setup(_ParticleAdaptor p) -> bool
3162 get_is_setup(Model m, ParticleIndex pi) -> bool
3164 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
3166 get_is_setup = staticmethod(get_is_setup)
3168 def set_thickness(self, thickness):
3169 """set_thickness(SlabWithPore self, double thickness)"""
3170 return _IMP_npctransport.SlabWithPore_set_thickness(self, thickness)
3173 def get_thickness(self):
3174 """get_thickness(SlabWithPore self) -> IMP::Float"""
3175 return _IMP_npctransport.SlabWithPore_get_thickness(self)
3178 def get_pore_radius(self):
3179 """get_pore_radius(SlabWithPore self) -> IMP::Float"""
3180 return _IMP_npctransport.SlabWithPore_get_pore_radius(self)
3183 def set_pore_radius(self, r):
3184 """set_pore_radius(SlabWithPore self, double r)"""
3185 return _IMP_npctransport.SlabWithPore_set_pore_radius(self, r)
3188 def add_to_pore_radius_derivative(self, v, d):
3189 """add_to_pore_radius_derivative(SlabWithPore self, double v, DerivativeAccumulator d)"""
3190 return _IMP_npctransport.SlabWithPore_add_to_pore_radius_derivative(self, v, d)
3193 def get_pore_radius_is_optimized(self):
3194 """get_pore_radius_is_optimized(SlabWithPore self) -> bool"""
3195 return _IMP_npctransport.SlabWithPore_get_pore_radius_is_optimized(self)
3198 def set_pore_radius_is_optimized(self, tf):
3199 """set_pore_radius_is_optimized(SlabWithPore self, bool tf)"""
3200 return _IMP_npctransport.SlabWithPore_set_pore_radius_is_optimized(self, tf)
3203 def get_thickness_key():
3204 """get_thickness_key() -> FloatKey"""
3205 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3207 get_thickness_key = staticmethod(get_thickness_key)
3209 def get_pore_radius_key():
3210 """get_pore_radius_key() -> FloatKey"""
3211 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3213 get_pore_radius_key = staticmethod(get_pore_radius_key)
3215 def add_attribute(self, *args):
3217 add_attribute(SlabWithPore self, FloatKey k, IMP::Float v, bool opt)
3218 add_attribute(SlabWithPore self, FloatKey a0, IMP::Float a1)
3219 add_attribute(SlabWithPore self, IntKey a0, IMP::Int a1)
3220 add_attribute(SlabWithPore self, StringKey a0, IMP::String a1)
3221 add_attribute(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3222 add_attribute(SlabWithPore self, ObjectKey a0, Object a1)
3224 return _IMP_npctransport.SlabWithPore_add_attribute(self, *args)
3227 def get_value(self, *args):
3229 get_value(SlabWithPore self, FloatKey a0) -> IMP::Float
3230 get_value(SlabWithPore self, IntKey a0) -> IMP::Int
3231 get_value(SlabWithPore self, StringKey a0) -> IMP::String
3232 get_value(SlabWithPore self, ParticleIndexKey a0) -> Particle
3233 get_value(SlabWithPore self, ObjectKey a0) -> Object
3235 return _IMP_npctransport.SlabWithPore_get_value(self, *args)
3238 def set_value(self, *args):
3240 set_value(SlabWithPore self, FloatKey a0, IMP::Float a1)
3241 set_value(SlabWithPore self, IntKey a0, IMP::Int a1)
3242 set_value(SlabWithPore self, StringKey a0, IMP::String a1)
3243 set_value(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3244 set_value(SlabWithPore self, ObjectKey a0, Object a1)
3246 return _IMP_npctransport.SlabWithPore_set_value(self, *args)
3249 def remove_attribute(self, *args):
3251 remove_attribute(SlabWithPore self, FloatKey a0)
3252 remove_attribute(SlabWithPore self, IntKey a0)
3253 remove_attribute(SlabWithPore self, StringKey a0)
3254 remove_attribute(SlabWithPore self, ParticleIndexKey a0)
3255 remove_attribute(SlabWithPore self, ObjectKey a0)
3257 return _IMP_npctransport.SlabWithPore_remove_attribute(self, *args)
3260 def has_attribute(self, *args):
3262 has_attribute(SlabWithPore self, FloatKey a0) -> bool
3263 has_attribute(SlabWithPore self, IntKey a0) -> bool
3264 has_attribute(SlabWithPore self, StringKey a0) -> bool
3265 has_attribute(SlabWithPore self, ParticleIndexKey a0) -> bool
3266 has_attribute(SlabWithPore self, ObjectKey a0) -> bool
3268 return _IMP_npctransport.SlabWithPore_has_attribute(self, *args)
3271 def get_derivative(self, a0):
3272 """get_derivative(SlabWithPore self, FloatKey a0) -> double"""
3273 return _IMP_npctransport.SlabWithPore_get_derivative(self, a0)
3277 """get_name(SlabWithPore self) -> std::string"""
3278 return _IMP_npctransport.SlabWithPore_get_name(self)
3281 def clear_caches(self):
3282 """clear_caches(SlabWithPore self)"""
3283 return _IMP_npctransport.SlabWithPore_clear_caches(self)
3286 def set_name(self, a0):
3287 """set_name(SlabWithPore self, std::string a0)"""
3288 return _IMP_npctransport.SlabWithPore_set_name(self, a0)
3292 """set_check_level(SlabWithPore self, IMP::CheckLevel a0)"""
3293 return _IMP_npctransport.SlabWithPore_set_check_level(self, a0)
3296 def add_to_derivative(self, a0, a1, a2):
3297 """add_to_derivative(SlabWithPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3298 return _IMP_npctransport.SlabWithPore_add_to_derivative(self, a0, a1, a2)
3301 def set_is_optimized(self, a0, a1):
3302 """set_is_optimized(SlabWithPore self, FloatKey a0, bool a1)"""
3303 return _IMP_npctransport.SlabWithPore_set_is_optimized(self, a0, a1)
3306 def get_is_optimized(self, a0):
3307 """get_is_optimized(SlabWithPore self, FloatKey a0) -> bool"""
3308 return _IMP_npctransport.SlabWithPore_get_is_optimized(self, a0)
3312 """get_check_level(SlabWithPore self) -> IMP::CheckLevel"""
3313 return _IMP_npctransport.SlabWithPore_get_check_level(self)
3316 def __eq__(self, *args):
3318 __eq__(SlabWithPore self, SlabWithPore o) -> bool
3319 __eq__(SlabWithPore self, Particle d) -> bool
3321 return _IMP_npctransport.SlabWithPore___eq__(self, *args)
3324 def __ne__(self, *args):
3326 __ne__(SlabWithPore self, SlabWithPore o) -> bool
3327 __ne__(SlabWithPore self, Particle d) -> bool
3329 return _IMP_npctransport.SlabWithPore___ne__(self, *args)
3332 def __le__(self, *args):
3334 __le__(SlabWithPore self, SlabWithPore o) -> bool
3335 __le__(SlabWithPore self, Particle d) -> bool
3337 return _IMP_npctransport.SlabWithPore___le__(self, *args)
3340 def __lt__(self, *args):
3342 __lt__(SlabWithPore self, SlabWithPore o) -> bool
3343 __lt__(SlabWithPore self, Particle d) -> bool
3345 return _IMP_npctransport.SlabWithPore___lt__(self, *args)
3348 def __ge__(self, *args):
3350 __ge__(SlabWithPore self, SlabWithPore o) -> bool
3351 __ge__(SlabWithPore self, Particle d) -> bool
3353 return _IMP_npctransport.SlabWithPore___ge__(self, *args)
3356 def __gt__(self, *args):
3358 __gt__(SlabWithPore self, SlabWithPore o) -> bool
3359 __gt__(SlabWithPore self, Particle d) -> bool
3361 return _IMP_npctransport.SlabWithPore___gt__(self, *args)
3365 """__hash__(SlabWithPore self) -> std::size_t"""
3366 return _IMP_npctransport.SlabWithPore___hash__(self)
3370 """__str__(SlabWithPore self) -> std::string"""
3371 return _IMP_npctransport.SlabWithPore___str__(self)
3375 """__repr__(SlabWithPore self) -> std::string"""
3376 return _IMP_npctransport.SlabWithPore___repr__(self)
3378 __swig_destroy__ = _IMP_npctransport.delete_SlabWithPore
3379 __del__ =
lambda self:
None
3380 SlabWithPore_swigregister = _IMP_npctransport.SlabWithPore_swigregister
3381 SlabWithPore_swigregister(SlabWithPore)
3383 def SlabWithPore_setup_particle(*args):
3385 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
3386 SlabWithPore_setup_particle(_ParticleAdaptor decorator, double thickness, double pore_radius) -> SlabWithPore
3388 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
3390 def SlabWithPore_get_is_setup(*args):
3392 get_is_setup(_ParticleAdaptor p) -> bool
3393 SlabWithPore_get_is_setup(Model m, ParticleIndex pi) -> bool
3395 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
3397 def SlabWithPore_get_thickness_key():
3398 """SlabWithPore_get_thickness_key() -> FloatKey"""
3399 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3401 def SlabWithPore_get_pore_radius_key():
3402 """SlabWithPore_get_pore_radius_key() -> FloatKey"""
3403 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3405 class SlabWithCylindricalPore(SlabWithPore):
3406 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPore class."""
3408 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3412 __init__(IMP::npctransport::SlabWithCylindricalPore self) -> SlabWithCylindricalPore
3413 __init__(IMP::npctransport::SlabWithCylindricalPore self, Model m, ParticleIndex id) -> SlabWithCylindricalPore
3414 __init__(IMP::npctransport::SlabWithCylindricalPore self, _ParticleAdaptor d) -> SlabWithCylindricalPore
3416 this = _IMP_npctransport.new_SlabWithCylindricalPore(*args)
3418 self.this.append(this)
3419 except __builtin__.Exception:
3422 def show(self, *args):
3424 show(SlabWithCylindricalPore self, _ostream out)
3425 show(SlabWithCylindricalPore self)
3427 return _IMP_npctransport.SlabWithCylindricalPore_show(self, *args)
3430 def setup_particle(*args):
3432 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3433 setup_particle(_ParticleAdaptor decorator, double thickness, double radius) -> SlabWithCylindricalPore
3435 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3437 setup_particle = staticmethod(setup_particle)
3439 def get_is_setup(*args):
3441 get_is_setup(_ParticleAdaptor p) -> bool
3442 get_is_setup(Model m, ParticleIndex pi) -> bool
3444 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3446 get_is_setup = staticmethod(get_is_setup)
3448 def get_cylindrical_pore_key():
3449 """get_cylindrical_pore_key() -> IntKey"""
3450 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3452 get_cylindrical_pore_key = staticmethod(get_cylindrical_pore_key)
3454 def add_attribute(self, *args):
3456 add_attribute(SlabWithCylindricalPore self, FloatKey k, IMP::Float v, bool opt)
3457 add_attribute(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3458 add_attribute(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3459 add_attribute(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3460 add_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3461 add_attribute(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3463 return _IMP_npctransport.SlabWithCylindricalPore_add_attribute(self, *args)
3466 def get_value(self, *args):
3468 get_value(SlabWithCylindricalPore self, FloatKey a0) -> IMP::Float
3469 get_value(SlabWithCylindricalPore self, IntKey a0) -> IMP::Int
3470 get_value(SlabWithCylindricalPore self, StringKey a0) -> IMP::String
3471 get_value(SlabWithCylindricalPore self, ParticleIndexKey a0) -> Particle
3472 get_value(SlabWithCylindricalPore self, ObjectKey a0) -> Object
3474 return _IMP_npctransport.SlabWithCylindricalPore_get_value(self, *args)
3477 def set_value(self, *args):
3479 set_value(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3480 set_value(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3481 set_value(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3482 set_value(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3483 set_value(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3485 return _IMP_npctransport.SlabWithCylindricalPore_set_value(self, *args)
3488 def remove_attribute(self, *args):
3490 remove_attribute(SlabWithCylindricalPore self, FloatKey a0)
3491 remove_attribute(SlabWithCylindricalPore self, IntKey a0)
3492 remove_attribute(SlabWithCylindricalPore self, StringKey a0)
3493 remove_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0)
3494 remove_attribute(SlabWithCylindricalPore self, ObjectKey a0)
3496 return _IMP_npctransport.SlabWithCylindricalPore_remove_attribute(self, *args)
3499 def has_attribute(self, *args):
3501 has_attribute(SlabWithCylindricalPore self, FloatKey a0) -> bool
3502 has_attribute(SlabWithCylindricalPore self, IntKey a0) -> bool
3503 has_attribute(SlabWithCylindricalPore self, StringKey a0) -> bool
3504 has_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0) -> bool
3505 has_attribute(SlabWithCylindricalPore self, ObjectKey a0) -> bool
3507 return _IMP_npctransport.SlabWithCylindricalPore_has_attribute(self, *args)
3510 def get_derivative(self, a0):
3511 """get_derivative(SlabWithCylindricalPore self, FloatKey a0) -> double"""
3512 return _IMP_npctransport.SlabWithCylindricalPore_get_derivative(self, a0)
3516 """get_name(SlabWithCylindricalPore self) -> std::string"""
3517 return _IMP_npctransport.SlabWithCylindricalPore_get_name(self)
3520 def clear_caches(self):
3521 """clear_caches(SlabWithCylindricalPore self)"""
3522 return _IMP_npctransport.SlabWithCylindricalPore_clear_caches(self)
3525 def set_name(self, a0):
3526 """set_name(SlabWithCylindricalPore self, std::string a0)"""
3527 return _IMP_npctransport.SlabWithCylindricalPore_set_name(self, a0)
3531 """set_check_level(SlabWithCylindricalPore self, IMP::CheckLevel a0)"""
3532 return _IMP_npctransport.SlabWithCylindricalPore_set_check_level(self, a0)
3535 def add_to_derivative(self, a0, a1, a2):
3536 """add_to_derivative(SlabWithCylindricalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3537 return _IMP_npctransport.SlabWithCylindricalPore_add_to_derivative(self, a0, a1, a2)
3540 def set_is_optimized(self, a0, a1):
3541 """set_is_optimized(SlabWithCylindricalPore self, FloatKey a0, bool a1)"""
3542 return _IMP_npctransport.SlabWithCylindricalPore_set_is_optimized(self, a0, a1)
3545 def get_is_optimized(self, a0):
3546 """get_is_optimized(SlabWithCylindricalPore self, FloatKey a0) -> bool"""
3547 return _IMP_npctransport.SlabWithCylindricalPore_get_is_optimized(self, a0)
3551 """get_check_level(SlabWithCylindricalPore self) -> IMP::CheckLevel"""
3552 return _IMP_npctransport.SlabWithCylindricalPore_get_check_level(self)
3555 def __eq__(self, *args):
3557 __eq__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3558 __eq__(SlabWithCylindricalPore self, Particle d) -> bool
3560 return _IMP_npctransport.SlabWithCylindricalPore___eq__(self, *args)
3563 def __ne__(self, *args):
3565 __ne__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3566 __ne__(SlabWithCylindricalPore self, Particle d) -> bool
3568 return _IMP_npctransport.SlabWithCylindricalPore___ne__(self, *args)
3571 def __le__(self, *args):
3573 __le__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3574 __le__(SlabWithCylindricalPore self, Particle d) -> bool
3576 return _IMP_npctransport.SlabWithCylindricalPore___le__(self, *args)
3579 def __lt__(self, *args):
3581 __lt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3582 __lt__(SlabWithCylindricalPore self, Particle d) -> bool
3584 return _IMP_npctransport.SlabWithCylindricalPore___lt__(self, *args)
3587 def __ge__(self, *args):
3589 __ge__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3590 __ge__(SlabWithCylindricalPore self, Particle d) -> bool
3592 return _IMP_npctransport.SlabWithCylindricalPore___ge__(self, *args)
3595 def __gt__(self, *args):
3597 __gt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3598 __gt__(SlabWithCylindricalPore self, Particle d) -> bool
3600 return _IMP_npctransport.SlabWithCylindricalPore___gt__(self, *args)
3604 """__hash__(SlabWithCylindricalPore self) -> std::size_t"""
3605 return _IMP_npctransport.SlabWithCylindricalPore___hash__(self)
3609 """__str__(SlabWithCylindricalPore self) -> std::string"""
3610 return _IMP_npctransport.SlabWithCylindricalPore___str__(self)
3614 """__repr__(SlabWithCylindricalPore self) -> std::string"""
3615 return _IMP_npctransport.SlabWithCylindricalPore___repr__(self)
3617 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPore
3618 __del__ =
lambda self:
None
3619 SlabWithCylindricalPore_swigregister = _IMP_npctransport.SlabWithCylindricalPore_swigregister
3620 SlabWithCylindricalPore_swigregister(SlabWithCylindricalPore)
3622 def SlabWithCylindricalPore_setup_particle(*args):
3624 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3625 SlabWithCylindricalPore_setup_particle(_ParticleAdaptor decorator, double thickness, double radius) -> SlabWithCylindricalPore
3627 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3629 def SlabWithCylindricalPore_get_is_setup(*args):
3631 get_is_setup(_ParticleAdaptor p) -> bool
3632 SlabWithCylindricalPore_get_is_setup(Model m, ParticleIndex pi) -> bool
3634 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3636 def SlabWithCylindricalPore_get_cylindrical_pore_key():
3637 """SlabWithCylindricalPore_get_cylindrical_pore_key() -> IntKey"""
3638 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3640 class SlabWithToroidalPore(SlabWithPore):
3641 """Proxy of C++ IMP::npctransport::SlabWithToroidalPore class."""
3643 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3647 __init__(IMP::npctransport::SlabWithToroidalPore self) -> SlabWithToroidalPore
3648 __init__(IMP::npctransport::SlabWithToroidalPore self, Model m, ParticleIndex id) -> SlabWithToroidalPore
3649 __init__(IMP::npctransport::SlabWithToroidalPore self, _ParticleAdaptor d) -> SlabWithToroidalPore
3651 this = _IMP_npctransport.new_SlabWithToroidalPore(*args)
3653 self.this.append(this)
3654 except __builtin__.Exception:
3657 def show(self, *args):
3659 show(SlabWithToroidalPore self, _ostream out)
3660 show(SlabWithToroidalPore self)
3662 return _IMP_npctransport.SlabWithToroidalPore_show(self, *args)
3665 def setup_particle(*args):
3667 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3668 setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius) -> SlabWithToroidalPore
3669 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3670 setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3672 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3674 setup_particle = staticmethod(setup_particle)
3676 def get_is_setup(*args):
3678 get_is_setup(_ParticleAdaptor p) -> bool
3679 get_is_setup(Model m, ParticleIndex pi) -> bool
3681 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3683 get_is_setup = staticmethod(get_is_setup)
3685 def set_minor_radius_h2v_aspect_ratio(self, aspect_ratio):
3686 """set_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self, double aspect_ratio)"""
3687 return _IMP_npctransport.SlabWithToroidalPore_set_minor_radius_h2v_aspect_ratio(self, aspect_ratio)
3690 def get_minor_radius_h2v_aspect_ratio(self):
3691 """get_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self) -> double"""
3692 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio(self)
3695 def get_vertical_minor_radius(self):
3696 """get_vertical_minor_radius(SlabWithToroidalPore self) -> double"""
3697 return _IMP_npctransport.SlabWithToroidalPore_get_vertical_minor_radius(self)
3700 def set_vertical_minor_radius(self, rv):
3701 """set_vertical_minor_radius(SlabWithToroidalPore self, double rv)"""
3702 return _IMP_npctransport.SlabWithToroidalPore_set_vertical_minor_radius(self, rv)
3705 def get_horizontal_minor_radius(self):
3706 """get_horizontal_minor_radius(SlabWithToroidalPore self) -> double"""
3707 return _IMP_npctransport.SlabWithToroidalPore_get_horizontal_minor_radius(self)
3710 def set_horizontal_minor_radius(self, rh):
3711 """set_horizontal_minor_radius(SlabWithToroidalPore self, double rh)"""
3712 return _IMP_npctransport.SlabWithToroidalPore_set_horizontal_minor_radius(self, rh)
3715 def get_minor_radius_h2v_aspect_ratio_key():
3716 """get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3717 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3719 get_minor_radius_h2v_aspect_ratio_key = staticmethod(get_minor_radius_h2v_aspect_ratio_key)
3721 def get_toroidal_pore_key():
3722 """get_toroidal_pore_key() -> IntKey"""
3723 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3725 get_toroidal_pore_key = staticmethod(get_toroidal_pore_key)
3727 def add_attribute(self, *args):
3729 add_attribute(SlabWithToroidalPore self, FloatKey k, IMP::Float v, bool opt)
3730 add_attribute(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3731 add_attribute(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3732 add_attribute(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3733 add_attribute(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3734 add_attribute(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3736 return _IMP_npctransport.SlabWithToroidalPore_add_attribute(self, *args)
3739 def get_value(self, *args):
3741 get_value(SlabWithToroidalPore self, FloatKey a0) -> IMP::Float
3742 get_value(SlabWithToroidalPore self, IntKey a0) -> IMP::Int
3743 get_value(SlabWithToroidalPore self, StringKey a0) -> IMP::String
3744 get_value(SlabWithToroidalPore self, ParticleIndexKey a0) -> Particle
3745 get_value(SlabWithToroidalPore self, ObjectKey a0) -> Object
3747 return _IMP_npctransport.SlabWithToroidalPore_get_value(self, *args)
3750 def set_value(self, *args):
3752 set_value(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3753 set_value(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3754 set_value(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3755 set_value(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3756 set_value(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3758 return _IMP_npctransport.SlabWithToroidalPore_set_value(self, *args)
3761 def remove_attribute(self, *args):
3763 remove_attribute(SlabWithToroidalPore self, FloatKey a0)
3764 remove_attribute(SlabWithToroidalPore self, IntKey a0)
3765 remove_attribute(SlabWithToroidalPore self, StringKey a0)
3766 remove_attribute(SlabWithToroidalPore self, ParticleIndexKey a0)
3767 remove_attribute(SlabWithToroidalPore self, ObjectKey a0)
3769 return _IMP_npctransport.SlabWithToroidalPore_remove_attribute(self, *args)
3772 def has_attribute(self, *args):
3774 has_attribute(SlabWithToroidalPore self, FloatKey a0) -> bool
3775 has_attribute(SlabWithToroidalPore self, IntKey a0) -> bool
3776 has_attribute(SlabWithToroidalPore self, StringKey a0) -> bool
3777 has_attribute(SlabWithToroidalPore self, ParticleIndexKey a0) -> bool
3778 has_attribute(SlabWithToroidalPore self, ObjectKey a0) -> bool
3780 return _IMP_npctransport.SlabWithToroidalPore_has_attribute(self, *args)
3783 def get_derivative(self, a0):
3784 """get_derivative(SlabWithToroidalPore self, FloatKey a0) -> double"""
3785 return _IMP_npctransport.SlabWithToroidalPore_get_derivative(self, a0)
3789 """get_name(SlabWithToroidalPore self) -> std::string"""
3790 return _IMP_npctransport.SlabWithToroidalPore_get_name(self)
3793 def clear_caches(self):
3794 """clear_caches(SlabWithToroidalPore self)"""
3795 return _IMP_npctransport.SlabWithToroidalPore_clear_caches(self)
3798 def set_name(self, a0):
3799 """set_name(SlabWithToroidalPore self, std::string a0)"""
3800 return _IMP_npctransport.SlabWithToroidalPore_set_name(self, a0)
3804 """set_check_level(SlabWithToroidalPore self, IMP::CheckLevel a0)"""
3805 return _IMP_npctransport.SlabWithToroidalPore_set_check_level(self, a0)
3808 def add_to_derivative(self, a0, a1, a2):
3809 """add_to_derivative(SlabWithToroidalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3810 return _IMP_npctransport.SlabWithToroidalPore_add_to_derivative(self, a0, a1, a2)
3813 def set_is_optimized(self, a0, a1):
3814 """set_is_optimized(SlabWithToroidalPore self, FloatKey a0, bool a1)"""
3815 return _IMP_npctransport.SlabWithToroidalPore_set_is_optimized(self, a0, a1)
3818 def get_is_optimized(self, a0):
3819 """get_is_optimized(SlabWithToroidalPore self, FloatKey a0) -> bool"""
3820 return _IMP_npctransport.SlabWithToroidalPore_get_is_optimized(self, a0)
3824 """get_check_level(SlabWithToroidalPore self) -> IMP::CheckLevel"""
3825 return _IMP_npctransport.SlabWithToroidalPore_get_check_level(self)
3828 def __eq__(self, *args):
3830 __eq__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3831 __eq__(SlabWithToroidalPore self, Particle d) -> bool
3833 return _IMP_npctransport.SlabWithToroidalPore___eq__(self, *args)
3836 def __ne__(self, *args):
3838 __ne__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3839 __ne__(SlabWithToroidalPore self, Particle d) -> bool
3841 return _IMP_npctransport.SlabWithToroidalPore___ne__(self, *args)
3844 def __le__(self, *args):
3846 __le__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3847 __le__(SlabWithToroidalPore self, Particle d) -> bool
3849 return _IMP_npctransport.SlabWithToroidalPore___le__(self, *args)
3852 def __lt__(self, *args):
3854 __lt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3855 __lt__(SlabWithToroidalPore self, Particle d) -> bool
3857 return _IMP_npctransport.SlabWithToroidalPore___lt__(self, *args)
3860 def __ge__(self, *args):
3862 __ge__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3863 __ge__(SlabWithToroidalPore self, Particle d) -> bool
3865 return _IMP_npctransport.SlabWithToroidalPore___ge__(self, *args)
3868 def __gt__(self, *args):
3870 __gt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3871 __gt__(SlabWithToroidalPore self, Particle d) -> bool
3873 return _IMP_npctransport.SlabWithToroidalPore___gt__(self, *args)
3877 """__hash__(SlabWithToroidalPore self) -> std::size_t"""
3878 return _IMP_npctransport.SlabWithToroidalPore___hash__(self)
3882 """__str__(SlabWithToroidalPore self) -> std::string"""
3883 return _IMP_npctransport.SlabWithToroidalPore___str__(self)
3887 """__repr__(SlabWithToroidalPore self) -> std::string"""
3888 return _IMP_npctransport.SlabWithToroidalPore___repr__(self)
3890 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPore
3891 __del__ =
lambda self:
None
3892 SlabWithToroidalPore_swigregister = _IMP_npctransport.SlabWithToroidalPore_swigregister
3893 SlabWithToroidalPore_swigregister(SlabWithToroidalPore)
3895 def SlabWithToroidalPore_setup_particle(*args):
3897 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3898 setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius) -> SlabWithToroidalPore
3899 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3900 SlabWithToroidalPore_setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3902 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3904 def SlabWithToroidalPore_get_is_setup(*args):
3906 get_is_setup(_ParticleAdaptor p) -> bool
3907 SlabWithToroidalPore_get_is_setup(Model m, ParticleIndex pi) -> bool
3909 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3911 def SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key():
3912 """SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3913 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3915 def SlabWithToroidalPore_get_toroidal_pore_key():
3916 """SlabWithToroidalPore_get_toroidal_pore_key() -> IntKey"""
3917 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3920 def __lshift__(*args):
3922 __lshift__(_ostream out, RelaxingSpring n) -> _ostream
3923 __lshift__(_ostream out, Transporting n) -> _ostream
3924 __lshift__(_ostream out, SlabWithPore n) -> _ostream
3925 __lshift__(_ostream out, SlabWithCylindricalPore n) -> _ostream
3926 __lshift__(_ostream out, SlabWithToroidalPore n) -> _ostream
3928 return _IMP_npctransport.__lshift__(*args)
3930 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPorePairScore class."""
3932 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3935 """__init__(IMP::npctransport::SlabWithCylindricalPorePairScore self, double k) -> SlabWithCylindricalPorePairScore"""
3936 this = _IMP_npctransport.new_SlabWithCylindricalPorePairScore(k)
3938 self.this.append(this)
3939 except __builtin__.Exception:
3942 def get_displacement_direction(self, slab, v):
3943 """get_displacement_direction(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> Vector3D"""
3944 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_direction(self, slab, v)
3947 def get_displacement_magnitude(self, slab, v):
3948 """get_displacement_magnitude(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> double"""
3949 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_magnitude(self, slab, v)
3952 def do_get_inputs(self, m, pis):
3953 """do_get_inputs(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3954 return _IMP_npctransport.SlabWithCylindricalPorePairScore_do_get_inputs(self, m, pis)
3957 def get_version_info(self):
3958 """get_version_info(SlabWithCylindricalPorePairScore self) -> VersionInfo"""
3959 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_version_info(self)
3963 """__str__(SlabWithCylindricalPorePairScore self) -> std::string"""
3964 return _IMP_npctransport.SlabWithCylindricalPorePairScore___str__(self)
3968 """__repr__(SlabWithCylindricalPorePairScore self) -> std::string"""
3969 return _IMP_npctransport.SlabWithCylindricalPorePairScore___repr__(self)
3974 return _object_cast_to_SlabWithCylindricalPorePairScore(o)
3976 SlabWithCylindricalPorePairScore_swigregister = _IMP_npctransport.SlabWithCylindricalPorePairScore_swigregister
3977 SlabWithCylindricalPorePairScore_swigregister(SlabWithCylindricalPorePairScore)
3980 """Proxy of C++ IMP::npctransport::SlabWithToroidalPorePairScore class."""
3982 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3985 """__init__(IMP::npctransport::SlabWithToroidalPorePairScore self, double k) -> SlabWithToroidalPorePairScore"""
3986 this = _IMP_npctransport.new_SlabWithToroidalPorePairScore(k)
3988 self.this.append(this)
3989 except __builtin__.Exception:
3992 def do_get_inputs(self, m, pis):
3993 """do_get_inputs(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3994 return _IMP_npctransport.SlabWithToroidalPorePairScore_do_get_inputs(self, m, pis)
3997 def get_version_info(self):
3998 """get_version_info(SlabWithToroidalPorePairScore self) -> VersionInfo"""
3999 return _IMP_npctransport.SlabWithToroidalPorePairScore_get_version_info(self)
4003 """__str__(SlabWithToroidalPorePairScore self) -> std::string"""
4004 return _IMP_npctransport.SlabWithToroidalPorePairScore___str__(self)
4008 """__repr__(SlabWithToroidalPorePairScore self) -> std::string"""
4009 return _IMP_npctransport.SlabWithToroidalPorePairScore___repr__(self)
4014 return _object_cast_to_SlabWithToroidalPorePairScore(o)
4016 SlabWithToroidalPorePairScore_swigregister = _IMP_npctransport.SlabWithToroidalPorePairScore_swigregister
4017 SlabWithToroidalPorePairScore_swigregister(SlabWithToroidalPorePairScore)
4020 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreWireGeometry class."""
4022 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4024 def __init__(self, height, radius, length):
4025 """__init__(IMP::npctransport::SlabWithCylindricalPoreWireGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreWireGeometry"""
4026 this = _IMP_npctransport.new_SlabWithCylindricalPoreWireGeometry(height, radius, length)
4028 self.this.append(this)
4029 except __builtin__.Exception:
4032 def get_version_info(self):
4033 """get_version_info(SlabWithCylindricalPoreWireGeometry self) -> VersionInfo"""
4034 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_get_version_info(self)
4038 """__str__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
4039 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___str__(self)
4043 """__repr__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
4044 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___repr__(self)
4049 return _object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
4051 SlabWithCylindricalPoreWireGeometry_swigregister = _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swigregister
4052 SlabWithCylindricalPoreWireGeometry_swigregister(SlabWithCylindricalPoreWireGeometry)
4055 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry class."""
4057 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4059 def __init__(self, height, radius, length):
4060 """__init__(IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreSurfaceGeometry"""
4061 this = _IMP_npctransport.new_SlabWithCylindricalPoreSurfaceGeometry(height, radius, length)
4063 self.this.append(this)
4064 except __builtin__.Exception:
4068 """__str__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
4069 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___str__(self)
4073 """__repr__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
4074 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___repr__(self)
4079 return _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
4081 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreSurfaceGeometry
4082 __del__ =
lambda self:
None
4083 SlabWithCylindricalPoreSurfaceGeometry_swigregister = _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swigregister
4084 SlabWithCylindricalPoreSurfaceGeometry_swigregister(SlabWithCylindricalPoreSurfaceGeometry)
4087 """Proxy of C++ IMP::npctransport::SlabWithToroidalPoreWireGeometry class."""
4089 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4093 __init__(IMP::npctransport::SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double horizontal_semiaxis, double slab_length) -> SlabWithToroidalPoreWireGeometry
4094 __init__(IMP::npctransport::SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double slab_length) -> SlabWithToroidalPoreWireGeometry
4096 this = _IMP_npctransport.new_SlabWithToroidalPoreWireGeometry(*args)
4098 self.this.append(this)
4099 except __builtin__.Exception:
4102 def get_version_info(self):
4103 """get_version_info(SlabWithToroidalPoreWireGeometry self) -> VersionInfo"""
4104 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry_get_version_info(self)
4108 """__str__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
4109 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___str__(self)
4113 """__repr__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
4114 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___repr__(self)
4119 return _object_cast_to_SlabWithToroidalPoreWireGeometry(o)
4121 SlabWithToroidalPoreWireGeometry_swigregister = _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swigregister
4122 SlabWithToroidalPoreWireGeometry_swigregister(SlabWithToroidalPoreWireGeometry)
4125 """Proxy of C++ IMP::core::GenericAttributeSingletonScore<(IMP::core::Harmonic)> class."""
4127 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4128 __repr__ = _swig_repr
4131 """__init__(IMP::core::GenericAttributeSingletonScore<(IMP::core::Harmonic)> self, Harmonic f, FloatKey k) -> _GenericAttributeSingletonScoreForPoreRadus"""
4132 this = _IMP_npctransport.new__GenericAttributeSingletonScoreForPoreRadus(f, k)
4134 self.this.append(this)
4135 except __builtin__.Exception:
4138 def do_get_inputs(self, m, pis):
4139 """do_get_inputs(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4140 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_do_get_inputs(self, m, pis)
4143 def get_unary_function(self):
4144 """get_unary_function(_GenericAttributeSingletonScoreForPoreRadus self) -> Harmonic"""
4145 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_unary_function(self)
4148 def get_version_info(self):
4149 """get_version_info(_GenericAttributeSingletonScoreForPoreRadus self) -> VersionInfo"""
4150 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_version_info(self)
4152 _GenericAttributeSingletonScoreForPoreRadus_swigregister = _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swigregister
4153 _GenericAttributeSingletonScoreForPoreRadus_swigregister(_GenericAttributeSingletonScoreForPoreRadus)
4155 class PoreRadiusSingletonScore(_GenericAttributeSingletonScoreForPoreRadus):
4156 """Proxy of C++ IMP::npctransport::PoreRadiusSingletonScore class."""
4158 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4161 """__init__(IMP::npctransport::PoreRadiusSingletonScore self, IMP::Float mean, IMP::Float k) -> PoreRadiusSingletonScore"""
4162 this = _IMP_npctransport.new_PoreRadiusSingletonScore(mean, k)
4164 self.this.append(this)
4165 except __builtin__.Exception:
4169 """set_k(PoreRadiusSingletonScore self, double k)"""
4170 return _IMP_npctransport.PoreRadiusSingletonScore_set_k(self, k)
4174 """__str__(PoreRadiusSingletonScore self) -> std::string"""
4175 return _IMP_npctransport.PoreRadiusSingletonScore___str__(self)
4179 """__repr__(PoreRadiusSingletonScore self) -> std::string"""
4180 return _IMP_npctransport.PoreRadiusSingletonScore___repr__(self)
4185 return _object_cast_to_PoreRadiusSingletonScore(o)
4187 PoreRadiusSingletonScore_swigregister = _IMP_npctransport.PoreRadiusSingletonScore_swigregister
4188 PoreRadiusSingletonScore_swigregister(PoreRadiusSingletonScore)
4191 """Proxy of C++ IMP::npctransport::ExcludeZRangeSingletonScore class."""
4193 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4195 def __init__(self, bottom, top, k):
4196 """__init__(IMP::npctransport::ExcludeZRangeSingletonScore self, double bottom, double top, double k) -> ExcludeZRangeSingletonScore"""
4197 this = _IMP_npctransport.new_ExcludeZRangeSingletonScore(bottom, top, k)
4199 self.this.append(this)
4200 except __builtin__.Exception:
4203 def get_bottom_z(self):
4204 """get_bottom_z(ExcludeZRangeSingletonScore self) -> double"""
4205 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_bottom_z(self)
4208 def get_top_z(self):
4209 """get_top_z(ExcludeZRangeSingletonScore self) -> double"""
4210 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_top_z(self)
4214 """get_k(ExcludeZRangeSingletonScore self) -> double"""
4215 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_k(self)
4218 def do_get_inputs(self, m, pis):
4219 """do_get_inputs(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4220 return _IMP_npctransport.ExcludeZRangeSingletonScore_do_get_inputs(self, m, pis)
4223 def get_version_info(self):
4224 """get_version_info(ExcludeZRangeSingletonScore self) -> VersionInfo"""
4225 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_version_info(self)
4229 """__str__(ExcludeZRangeSingletonScore self) -> std::string"""
4230 return _IMP_npctransport.ExcludeZRangeSingletonScore___str__(self)
4234 """__repr__(ExcludeZRangeSingletonScore self) -> std::string"""
4235 return _IMP_npctransport.ExcludeZRangeSingletonScore___repr__(self)
4240 return _object_cast_to_ExcludeZRangeSingletonScore(o)
4242 ExcludeZRangeSingletonScore_swigregister = _IMP_npctransport.ExcludeZRangeSingletonScore_swigregister
4243 ExcludeZRangeSingletonScore_swigregister(ExcludeZRangeSingletonScore)
4246 """Proxy of C++ IMP::npctransport::ZBiasSingletonScore class."""
4248 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4252 __init__(IMP::npctransport::ZBiasSingletonScore self, double k, double max_r) -> ZBiasSingletonScore
4253 __init__(IMP::npctransport::ZBiasSingletonScore self, double k) -> ZBiasSingletonScore
4255 this = _IMP_npctransport.new_ZBiasSingletonScore(*args)
4257 self.this.append(this)
4258 except __builtin__.Exception:
4262 """get_k(ZBiasSingletonScore self) -> double"""
4263 return _IMP_npctransport.ZBiasSingletonScore_get_k(self)
4267 """set_k(ZBiasSingletonScore self, double k)"""
4268 return _IMP_npctransport.ZBiasSingletonScore_set_k(self, k)
4271 def do_get_inputs(self, m, pis):
4272 """do_get_inputs(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4273 return _IMP_npctransport.ZBiasSingletonScore_do_get_inputs(self, m, pis)
4276 def get_version_info(self):
4277 """get_version_info(ZBiasSingletonScore self) -> VersionInfo"""
4278 return _IMP_npctransport.ZBiasSingletonScore_get_version_info(self)
4282 """__str__(ZBiasSingletonScore self) -> std::string"""
4283 return _IMP_npctransport.ZBiasSingletonScore___str__(self)
4287 """__repr__(ZBiasSingletonScore self) -> std::string"""
4288 return _IMP_npctransport.ZBiasSingletonScore___repr__(self)
4293 return _object_cast_to_ZBiasSingletonScore(o)
4295 ZBiasSingletonScore_swigregister = _IMP_npctransport.ZBiasSingletonScore_swigregister
4296 ZBiasSingletonScore_swigregister(ZBiasSingletonScore)
4299 """Proxy of C++ IMP::npctransport::BodyStatisticsOptimizerState class."""
4301 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4303 def __init__(self, p, statistics_manager=None, periodicity=1):
4305 __init__(IMP::npctransport::BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None, unsigned int periodicity=1) -> BodyStatisticsOptimizerState
4306 __init__(IMP::npctransport::BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None) -> BodyStatisticsOptimizerState
4307 __init__(IMP::npctransport::BodyStatisticsOptimizerState self, Particle p) -> BodyStatisticsOptimizerState
4309 this = _IMP_npctransport.new_BodyStatisticsOptimizerState(p, statistics_manager, periodicity)
4311 self.this.append(this)
4312 except __builtin__.Exception:
4315 def get_correlation_time(self):
4316 """get_correlation_time(BodyStatisticsOptimizerState self) -> double"""
4317 return _IMP_npctransport.BodyStatisticsOptimizerState_get_correlation_time(self)
4321 """get_diffusion_coefficient(BodyStatisticsOptimizerState self) -> double"""
4322 return _IMP_npctransport.BodyStatisticsOptimizerState_get_diffusion_coefficient(self)
4325 def update_particle_type_zr_distribution_map(self):
4326 """update_particle_type_zr_distribution_map(BodyStatisticsOptimizerState self)"""
4327 return _IMP_npctransport.BodyStatisticsOptimizerState_update_particle_type_zr_distribution_map(self)
4330 def do_update(self, call_num):
4331 """do_update(BodyStatisticsOptimizerState self, unsigned int call_num)"""
4332 return _IMP_npctransport.BodyStatisticsOptimizerState_do_update(self, call_num)
4335 def get_version_info(self):
4336 """get_version_info(BodyStatisticsOptimizerState self) -> VersionInfo"""
4337 return _IMP_npctransport.BodyStatisticsOptimizerState_get_version_info(self)
4341 """__str__(BodyStatisticsOptimizerState self) -> std::string"""
4342 return _IMP_npctransport.BodyStatisticsOptimizerState___str__(self)
4346 """__repr__(BodyStatisticsOptimizerState self) -> std::string"""
4347 return _IMP_npctransport.BodyStatisticsOptimizerState___repr__(self)
4352 return _object_cast_to_BodyStatisticsOptimizerState(o)
4354 BodyStatisticsOptimizerState_swigregister = _IMP_npctransport.BodyStatisticsOptimizerState_swigregister
4355 BodyStatisticsOptimizerState_swigregister(BodyStatisticsOptimizerState)
4358 """Proxy of C++ IMP::npctransport::ParticleTransportStatisticsOptimizerState class."""
4360 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4362 def __init__(self, p, bottom_z, top_z, statistics_manager=0, owner=0):
4364 __init__(IMP::npctransport::ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z, WeakPointer< IMP::npctransport::Statistics > statistics_manager=0, WeakPointer< IMP::atom::Simulator > owner=0) -> ParticleTransportStatisticsOptimizerState
4365 __init__(IMP::npctransport::ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z, WeakPointer< IMP::npctransport::Statistics > statistics_manager=0) -> ParticleTransportStatisticsOptimizerState
4366 __init__(IMP::npctransport::ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z) -> ParticleTransportStatisticsOptimizerState
4368 this = _IMP_npctransport.new_ParticleTransportStatisticsOptimizerState(p, bottom_z, top_z, statistics_manager, owner)
4370 self.this.append(this)
4371 except __builtin__.Exception:
4374 def set_owner(self, owner):
4375 """set_owner(ParticleTransportStatisticsOptimizerState self, WeakPointer< IMP::atom::Simulator > owner)"""
4376 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_set_owner(self, owner)
4379 def get_owner(self):
4380 """get_owner(ParticleTransportStatisticsOptimizerState self) -> WeakPointer< IMP::atom::Simulator >"""
4381 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_owner(self)
4384 def get_n_transports_up(self):
4385 """get_n_transports_up(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4386 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_up(self)
4389 def get_n_transports_down(self):
4390 """get_n_transports_down(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4391 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_down(self)
4394 def get_total_n_transports(self):
4395 """get_total_n_transports(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4396 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_total_n_transports(self)
4399 def get_transport_time_points_in_ns(self):
4400 """get_transport_time_points_in_ns(ParticleTransportStatisticsOptimizerState self) -> IMP::Floats const &"""
4401 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_transport_time_points_in_ns(self)
4404 def do_update(self, call_num):
4405 """do_update(ParticleTransportStatisticsOptimizerState self, unsigned int call_num)"""
4406 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_do_update(self, call_num)
4409 def get_version_info(self):
4410 """get_version_info(ParticleTransportStatisticsOptimizerState self) -> VersionInfo"""
4411 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_version_info(self)
4415 """__str__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4416 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___str__(self)
4420 """__repr__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4421 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___repr__(self)
4426 return _object_cast_to_ParticleTransportStatisticsOptimizerState(o)
4428 ParticleTransportStatisticsOptimizerState_swigregister = _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swigregister
4429 ParticleTransportStatisticsOptimizerState_swigregister(ParticleTransportStatisticsOptimizerState)
4432 """Proxy of C++ IMP::npctransport::ChainStatisticsOptimizerState class."""
4434 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4436 def __init__(self, ps, periodicity=1):
4438 __init__(IMP::npctransport::ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps, unsigned int periodicity=1) -> ChainStatisticsOptimizerState
4439 __init__(IMP::npctransport::ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps) -> ChainStatisticsOptimizerState
4441 this = _IMP_npctransport.new_ChainStatisticsOptimizerState(ps, periodicity)
4443 self.this.append(this)
4444 except __builtin__.Exception:
4447 def get_correlation_time(self):
4448 """get_correlation_time(ChainStatisticsOptimizerState self) -> double"""
4449 return _IMP_npctransport.ChainStatisticsOptimizerState_get_correlation_time(self)
4452 def get_local_diffusion_coefficients(self):
4453 """get_local_diffusion_coefficients(ChainStatisticsOptimizerState self) -> IMP::Floats"""
4454 return _IMP_npctransport.ChainStatisticsOptimizerState_get_local_diffusion_coefficients(self)
4458 """get_diffusion_coefficient(ChainStatisticsOptimizerState self) -> double"""
4459 return _IMP_npctransport.ChainStatisticsOptimizerState_get_diffusion_coefficient(self)
4462 def get_mean_radius_of_gyration(self):
4463 """get_mean_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4464 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_radius_of_gyration(self)
4467 def get_mean_square_radius_of_gyration(self):
4468 """get_mean_square_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4469 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_radius_of_gyration(self)
4472 def get_mean_end_to_end_distance(self):
4473 """get_mean_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4474 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_end_to_end_distance(self)
4477 def get_mean_square_end_to_end_distance(self):
4478 """get_mean_square_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4479 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_end_to_end_distance(self)
4482 def get_mean_bond_distance(self):
4483 """get_mean_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4484 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_bond_distance(self)
4487 def get_mean_square_bond_distance(self):
4488 """get_mean_square_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4489 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_bond_distance(self)
4492 def do_update(self, call_num):
4493 """do_update(ChainStatisticsOptimizerState self, unsigned int call_num)"""
4494 return _IMP_npctransport.ChainStatisticsOptimizerState_do_update(self, call_num)
4497 def get_version_info(self):
4498 """get_version_info(ChainStatisticsOptimizerState self) -> VersionInfo"""
4499 return _IMP_npctransport.ChainStatisticsOptimizerState_get_version_info(self)
4503 """__str__(ChainStatisticsOptimizerState self) -> std::string"""
4504 return _IMP_npctransport.ChainStatisticsOptimizerState___str__(self)
4508 """__repr__(ChainStatisticsOptimizerState self) -> std::string"""
4509 return _IMP_npctransport.ChainStatisticsOptimizerState___repr__(self)
4514 return _object_cast_to_ChainStatisticsOptimizerState(o)
4516 ChainStatisticsOptimizerState_swigregister = _IMP_npctransport.ChainStatisticsOptimizerState_swigregister
4517 ChainStatisticsOptimizerState_swigregister(ChainStatisticsOptimizerState)
4520 """Proxy of C++ IMP::npctransport::BipartitePairsStatisticsOptimizerState class."""
4522 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4524 def __init__(self, statistics_manager, interaction_type, particlesI, particlesII, contact_range=1.0, slack=1.0):
4526 __init__(IMP::npctransport::BipartitePairsStatisticsOptimizerState self, Statistics statistics_manager, IMP::npctransport::InteractionType interaction_type, IMP::ParticlesTemp const & particlesI, IMP::ParticlesTemp const & particlesII, double contact_range=1.0, double slack=1.0) -> BipartitePairsStatisticsOptimizerState
4527 __init__(IMP::npctransport::BipartitePairsStatisticsOptimizerState self, Statistics statistics_manager, IMP::npctransport::InteractionType interaction_type, IMP::ParticlesTemp const & particlesI, IMP::ParticlesTemp const & particlesII, double contact_range=1.0) -> BipartitePairsStatisticsOptimizerState
4528 __init__(IMP::npctransport::BipartitePairsStatisticsOptimizerState self, Statistics statistics_manager, IMP::npctransport::InteractionType interaction_type, IMP::ParticlesTemp const & particlesI, IMP::ParticlesTemp const & particlesII) -> BipartitePairsStatisticsOptimizerState
4530 this = _IMP_npctransport.new_BipartitePairsStatisticsOptimizerState(statistics_manager, interaction_type, particlesI, particlesII, contact_range, slack)
4532 self.this.append(this)
4533 except __builtin__.Exception:
4536 def get_interaction_type(self):
4537 """get_interaction_type(BipartitePairsStatisticsOptimizerState self) -> IMP::npctransport::InteractionType"""
4538 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_interaction_type(self)
4541 def get_average_number_of_contacts(self):
4542 """get_average_number_of_contacts(BipartitePairsStatisticsOptimizerState self) -> double"""
4543 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_number_of_contacts(self)
4546 def get_average_off_per_contact_per_ns(self):
4547 """get_average_off_per_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4548 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_contact_per_ns(self)
4551 def get_average_off_per_bound_I_per_ns(self):
4552 """get_average_off_per_bound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4553 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_I_per_ns(self)
4556 def get_average_off_per_bound_II_per_ns(self):
4557 """get_average_off_per_bound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4558 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_II_per_ns(self)
4561 def get_average_on_per_missing_contact_per_ns(self):
4562 """get_average_on_per_missing_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4563 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_missing_contact_per_ns(self)
4566 def get_average_on_per_unbound_I_per_ns(self):
4567 """get_average_on_per_unbound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4568 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_I_per_ns(self)
4571 def get_average_on_per_unbound_II_per_ns(self):
4572 """get_average_on_per_unbound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4573 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_II_per_ns(self)
4576 def get_average_fraction_bound_particles_I(self):
4577 """get_average_fraction_bound_particles_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4578 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_I(self)
4581 def get_average_fraction_bound_particles_II(self):
4582 """get_average_fraction_bound_particles_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4583 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_II(self)
4586 def get_average_fraction_bound_particle_sites_I(self):
4587 """get_average_fraction_bound_particle_sites_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4588 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_I(self)
4591 def get_average_fraction_bound_particle_sites_II(self):
4592 """get_average_fraction_bound_particle_sites_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4593 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_II(self)
4596 def get_number_of_particles_1(self):
4597 """get_number_of_particles_1(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4598 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_1(self)
4601 def get_number_of_particles_2(self):
4602 """get_number_of_particles_2(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4603 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_2(self)
4606 def get_misc_stats_period_ns(self):
4607 """get_misc_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4608 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_misc_stats_period_ns(self)
4611 def get_off_stats_period_ns(self):
4612 """get_off_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4613 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_stats_period_ns(self)
4616 def get_off_I_stats_period_ns(self):
4617 """get_off_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4618 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_I_stats_period_ns(self)
4621 def get_off_II_stats_period_ns(self):
4622 """get_off_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4623 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_II_stats_period_ns(self)
4626 def get_on_stats_period_ns(self):
4627 """get_on_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4628 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_stats_period_ns(self)
4631 def get_on_I_stats_period_ns(self):
4632 """get_on_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4633 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_I_stats_period_ns(self)
4636 def get_on_II_stats_period_ns(self):
4637 """get_on_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4638 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_II_stats_period_ns(self)
4641 def get_version_info(self):
4642 """get_version_info(BipartitePairsStatisticsOptimizerState self) -> VersionInfo"""
4643 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_version_info(self)
4647 """__str__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4648 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___str__(self)
4652 """__repr__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4653 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___repr__(self)
4658 return _object_cast_to_BipartitePairsStatisticsOptimizerState(o)
4660 BipartitePairsStatisticsOptimizerState_swigregister = _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swigregister
4661 BipartitePairsStatisticsOptimizerState_swigregister(BipartitePairsStatisticsOptimizerState)
4664 def get_close_pairs_range(*args):
4666 get_close_pairs_range(double max_range, double max_range_factor) -> double
4667 get_close_pairs_range(::npctransport_proto::Assignment const & config) -> double
4669 return _IMP_npctransport.get_close_pairs_range(*args)
4673 get_time_step(double max_d_factor, double max_k, double min_radius, double min_range, double max_trans_relative_to_radius=0.1, double time_step_factor=1.0) -> double
4674 get_time_step(double max_d_factor, double max_k, double min_radius, double min_range, double max_trans_relative_to_radius=0.1) -> double
4675 get_time_step(double max_d_factor, double max_k, double min_radius, double min_range) -> double
4676 get_time_step(::npctransport_proto::Assignment const & config, double max_trans_relative_to_radius=0.1) -> double
4677 get_time_step(::npctransport_proto::Assignment const & config) -> double
4679 return _IMP_npctransport.get_time_step(*args)
4682 """get_frames_from_ns(double ns, double time_step) -> int"""
4683 return _IMP_npctransport.get_frames_from_ns(ns, time_step)
4686 """get_number_of_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4687 return _IMP_npctransport.get_number_of_frames(config, time_step)
4690 """get_dump_interval_in_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4691 return _IMP_npctransport.get_dump_interval_in_frames(config, time_step)
4695 get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=0.1) -> int
4696 get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step) -> int
4698 return _IMP_npctransport.get_statistics_interval_in_frames(assign, time_step, default_value_ns)
4702 get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=1.0) -> int
4703 get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step) -> int
4705 return _IMP_npctransport.get_output_statistics_interval_in_frames(assign, time_step, default_value_ns)
4709 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints, bool debug=False, double short_init_factor=1.0, bool is_disable_randomize=False, bool are_fgs_pre_initialized=False)
4710 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints, bool debug=False, double short_init_factor=1.0, bool is_disable_randomize=False)
4711 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints, bool debug=False, double short_init_factor=1.0)
4712 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints, bool debug=False)
4713 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints)
4714 initialize_positions(SimulationData sd)
4716 return _IMP_npctransport.initialize_positions(*args)
4717 class Avro2PBReader(object):
4718 """Proxy of C++ IMP::npctransport::Avro2PBReader class."""
4720 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4724 __init__(IMP::npctransport::Avro2PBReader self, IMP::Strings const & avro_filenames) -> Avro2PBReader
4725 __init__(IMP::npctransport::Avro2PBReader self, std::string avro_filename) -> Avro2PBReader
4727 this = _IMP_npctransport.new_Avro2PBReader(*args)
4729 self.this.append(this)
4730 except __builtin__.Exception:
4732 __swig_destroy__ = _IMP_npctransport.delete_Avro2PBReader
4733 __del__ =
lambda self:
None
4735 def read_next(self):
4736 """read_next(Avro2PBReader self) -> IMP::npctransport::Avro2PBReader::ByteBuffer"""
4737 return _IMP_npctransport.Avro2PBReader_read_next(self)
4740 def get_is_valid(self):
4741 """get_is_valid(Avro2PBReader self) -> bool"""
4742 return _IMP_npctransport.Avro2PBReader_get_is_valid(self)
4745 def get_cur_file_name(self):
4746 """get_cur_file_name(Avro2PBReader self) -> std::string"""
4747 return _IMP_npctransport.Avro2PBReader_get_cur_file_name(self)
4750 def show(self, *args):
4752 show(Avro2PBReader self, _ostream out)
4753 show(Avro2PBReader self)
4755 return _IMP_npctransport.Avro2PBReader_show(self, *args)
4759 """__str__(Avro2PBReader self) -> std::string"""
4760 return _IMP_npctransport.Avro2PBReader___str__(self)
4764 """__repr__(Avro2PBReader self) -> std::string"""
4765 return _IMP_npctransport.Avro2PBReader___repr__(self)
4767 Avro2PBReader_swigregister = _IMP_npctransport.Avro2PBReader_swigregister
4768 Avro2PBReader_swigregister(Avro2PBReader)
4772 """get_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4773 return _IMP_npctransport.get_optimizable_particles(particles)
4776 """get_non_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4777 return _IMP_npctransport.get_non_optimizable_particles(particles)
4780 """get_particle_indexes(IMP::ParticlesTemp const & particles) -> IMP::ParticleIndexes"""
4781 return _IMP_npctransport.get_particle_indexes(particles)
4784 """get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)"""
4785 return _IMP_npctransport.get_protobuf_configuration_from_text(config_txt, config_pb)
4788 """get_maximal_number_of_unordered_pairs(IMP::ParticlesTemp const & ps0, IMP::ParticlesTemp const & ps1) -> unsigned int"""
4789 return _IMP_npctransport.get_maximal_number_of_unordered_pairs(ps0, ps1)
4792 """get_spheres_from_vectors(IMP::algebra::Vector3Ds const & vs, double radius) -> IMP::algebra::Sphere3Ds"""
4793 return _IMP_npctransport.get_spheres_from_vectors(vs, radius)
4795 def get_spheres_centers(spheres):
4796 """get_spheres_centers(IMP::algebra::Sphere3Ds const & spheres) -> IMP::algebra::Vector3Ds"""
4797 return _IMP_npctransport.get_spheres_centers(spheres)
4800 """copy_particle_reference_frame_if_applicable(Particle src_p, Particle trg_p)"""
4801 return _IMP_npctransport.copy_particle_reference_frame_if_applicable(src_p, trg_p)
4804 """copy_hierarchy_reference_frame_recursive(Particle src_p, Particle trg_p)"""
4805 return _IMP_npctransport.copy_hierarchy_reference_frame_recursive(src_p, trg_p)
4808 """copy_FGs_coordinates(SimulationData src_sd, SimulationData trg_sd)"""
4809 return _IMP_npctransport.copy_FGs_coordinates(src_sd, trg_sd)
4812 from .npctransport_pb2
import *
4813 import google.protobuf
4815 print(
"no protobuf support in python")
4816 from ._configuration
import *
4819 def get_module_version():
4820 """get_module_version() -> std::string const"""
4821 return _IMP_npctransport.get_module_version()
4824 """get_example_path(std::string fname) -> std::string"""
4825 return _IMP_npctransport.get_example_path(fname)
4828 """get_data_path(std::string fname) -> std::string"""
4829 return _IMP_npctransport.get_data_path(fname)
4831 from .
import _version_check
4832 _version_check.check_version(get_module_version())
4833 __version__ = get_module_version()
Abstract class for scoring object(s) of type ParticleIndexPair.
CheckLevel get_check_level()
Get the current audit mode.
FGChain * create_fg_chain(IMP::npctransport::SimulationData *sd, atom::Hierarchy parent, const ::npctransport_proto::Assignment_FGAssignment &fg_data, display::Color c)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
void add_hierarchy_with_sites(RMF::FileHandle fh, atom::Hierarchy hs)
Various classes to hold sets of particles.
int assign_ranges(std::string input_config_fname, std::string output_assignment_fname, unsigned int work_unit, bool show_steps, boost::uint64_t random_seed)
The base class for geometry.
int get_output_statistics_interval_in_frames(const ::npctransport_proto::Assignment &assign, double time_step, double default_value_ns=1.0)
IMP::ParticleIndexPair make_unordered_particle_index_pair(IMP::ParticleIndex pi0, IMP::ParticleIndex pi1)
A base class for geometry from a set of particles.
double get_time_step(double max_d_factor, double max_k, double min_radius, double min_range, double max_trans_relative_to_radius=0.1, double time_step_factor=1.0)
Make CGAL functionality available to IMP.
void copy_FGs_coordinates(SimulationData const *src_sd, SimulationData *trg_sd)
copy coordinates of src_sd to trg_sd for FG repeats only
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
int get_statistics_interval_in_frames(const ::npctransport_proto::Assignment &assign, double time_step, double default_value_ns=0.1)
void get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)
void copy_hierarchy_reference_frame_recursive(Particle *src_p, Particle *trg_p)
Simple Brownian dynamics simulator.
Composable functors to implement scores via compile-time composition.
Code to compute statistical measures.
void link_hierarchies_with_sites(RMF::FileConstHandle fh, const atom::Hierarchies &hs)
ParticlesTemp get_non_optimizable_particles(ParticlesTemp const &particles)
void copy_particle_reference_frame_if_applicable(Particle *src_p, Particle *trg_p)
Common base class for heavy weight IMP objects.
ParticleIndexes get_particle_indexes(ParticlesTemp const &particles)
int get_number_of_frames(const ::npctransport_proto::Assignment &config, double time_step)
Abstract class for scoring object(s) of type ParticleIndex.
int get_frames_from_ns(double ns, double time_step)
void initialize_positions(SimulationData *sd, const RestraintsTemp &extra_restraints=RestraintsTemp(), bool debug=false, double short_init_factor=1.0, bool is_disable_randomize=false, bool are_fgs_pre_initialized=false)
Interface to specialized Particle types (e.g. atoms)
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
ParticlesTemp get_optimizable_particles(ParticlesTemp const &particles)
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...
int get_dump_interval_in_frames(const ::npctransport_proto::Assignment &config, double time_step)
atom::Hierarchies create_hierarchies_with_sites(RMF::FileConstHandle fh, Model *m)
unsigned int get_maximal_number_of_unordered_pairs(ParticlesTemp const &ps0, ParticlesTemp const &ps1)
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
void add_hierarchies_with_sites(RMF::FileHandle fh, const atom::Hierarchies &hs)
InteractionType make_unordered_interaction_type(IMP::core::ParticleType t0, IMP::core::ParticleType t1)
double get_diffusion_coefficient(const algebra::Vector3Ds &displacements, double dt)
FGChain * get_fg_chain(atom::Hierarchy root)
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
Support for developing and analyzing benchmarks of IMP code.
InteractionType make_ordered_interaction_type(IMP::core::ParticleType t0, IMP::core::ParticleType t1)
convenience method for creating and interaction type in swig
Support for the RMF file format for storing hierarchical molecular data and markup.
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
Display an IMP::core::XYZR particle as a ball.
void add_test_sites(RMF::FileHandle fh, core::ParticleType t, double display_radius, algebra::Vector3Ds sites)
algebra::Sphere3Ds get_spheres_from_vectors(V3iter first, V3iter last, double radius)
convert vectors to spheres of passed radius