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_NUMPY = _IMP_npctransport.IMP_KERNEL_HAS_NUMPY
239 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_npctransport.IMP_KERNEL_HAS_GPERFTOOLS
240 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
241 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
242 IMPKERNEL_SHOW_WARNINGS = _IMP_npctransport.IMPKERNEL_SHOW_WARNINGS
245 class _DirectorObjects(object):
246 """@internal Simple class to keep references to director objects
247 to prevent premature deletion."""
250 def register(self, obj):
251 """Take a reference to a director object; will only work for
252 refcounted C++ classes"""
253 if hasattr(obj,
'get_ref_count'):
254 self._objects.append(obj)
256 """Only drop our reference and allow cleanup by Python if no other
257 Python references exist (we hold 3 references: one in self._objects,
258 one in x, and one in the argument list for getrefcount) *and* no
259 other C++ references exist (the Python object always holds one)"""
260 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
261 or x.get_ref_count() > 1]
265 def get_object_count(self):
266 """Get number of director objects (useful for testing only)"""
267 return len(self._objects)
268 _director_objects = _DirectorObjects()
270 class _ostream(object):
271 """Proxy of C++ std::ostream class."""
273 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
275 def __init__(self, *args, **kwargs):
276 raise AttributeError(
"No constructor defined")
277 __repr__ = _swig_repr
279 def write(self, osa_buf):
280 """write(_ostream self, char const * osa_buf)"""
281 return _IMP_npctransport._ostream_write(self, osa_buf)
283 _ostream_swigregister = _IMP_npctransport._ostream_swigregister
284 _ostream_swigregister(_ostream)
286 IMP_COMPILER_HAS_OVERRIDE = _IMP_npctransport.IMP_COMPILER_HAS_OVERRIDE
287 IMP_COMPILER_HAS_FINAL = _IMP_npctransport.IMP_COMPILER_HAS_FINAL
288 IMP_HAS_NOEXCEPT = _IMP_npctransport.IMP_HAS_NOEXCEPT
289 IMP_C_OPEN_BINARY = _IMP_npctransport.IMP_C_OPEN_BINARY
291 IMP_BENCHMARK_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_FILESYSTEM
292 IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS
293 IMP_BENCHMARK_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_RANDOM
294 IMP_BENCHMARK_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_SYSTEM
295 IMP_BENCHMARK_HAS_NUMPY = _IMP_npctransport.IMP_BENCHMARK_HAS_NUMPY
296 IMPBENCHMARK_SHOW_WARNINGS = _IMP_npctransport.IMPBENCHMARK_SHOW_WARNINGS
298 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_FILESYSTEM
299 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
300 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_RANDOM
301 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_SYSTEM
302 IMP_CGAL_HAS_NUMPY = _IMP_npctransport.IMP_CGAL_HAS_NUMPY
303 IMPCGAL_SHOW_WARNINGS = _IMP_npctransport.IMPCGAL_SHOW_WARNINGS
305 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_IMP_CGAL
306 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
307 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
308 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_RANDOM
309 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_SYSTEM
310 IMP_ALGEBRA_HAS_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_CGAL
311 IMP_ALGEBRA_HAS_NUMPY = _IMP_npctransport.IMP_ALGEBRA_HAS_NUMPY
312 IMP_ALGEBRA_HAS_ANN = _IMP_npctransport.IMP_ALGEBRA_HAS_ANN
313 IMPALGEBRA_SHOW_WARNINGS = _IMP_npctransport.IMPALGEBRA_SHOW_WARNINGS
315 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_IMP_CGAL
316 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
317 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
318 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_RANDOM
319 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_SYSTEM
320 IMP_DISPLAY_HAS_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_CGAL
321 IMP_DISPLAY_HAS_NUMPY = _IMP_npctransport.IMP_DISPLAY_HAS_NUMPY
322 IMPDISPLAY_SHOW_WARNINGS = _IMP_npctransport.IMPDISPLAY_SHOW_WARNINGS
324 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
325 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
326 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
327 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
328 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
329 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_CGAL
330 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_HDF5
331 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_NUMPY
332 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_npctransport.IMPSCOREFUNCTOR_SHOW_WARNINGS
334 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_IMP_CGAL
335 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
336 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
337 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_RANDOM
338 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_SYSTEM
339 IMP_STATISTICS_HAS_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_CGAL
340 IMP_STATISTICS_HAS_NUMPY = _IMP_npctransport.IMP_STATISTICS_HAS_NUMPY
341 IMPSTATISTICS_SHOW_WARNINGS = _IMP_npctransport.IMPSTATISTICS_SHOW_WARNINGS
343 IMP_CORE_HAS_IMP_CGAL = _IMP_npctransport.IMP_CORE_HAS_IMP_CGAL
344 IMP_CORE_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CORE_HAS_IMP_KERNEL
345 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_FILESYSTEM
346 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
347 IMP_CORE_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CORE_HAS_BOOST_RANDOM
348 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_SYSTEM
349 IMP_CORE_HAS_CGAL = _IMP_npctransport.IMP_CORE_HAS_CGAL
350 IMP_CORE_HAS_HDF5 = _IMP_npctransport.IMP_CORE_HAS_HDF5
351 IMP_CORE_HAS_NUMPY = _IMP_npctransport.IMP_CORE_HAS_NUMPY
352 IMPCORE_SHOW_WARNINGS = _IMP_npctransport.IMPCORE_SHOW_WARNINGS
354 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_ALGEBRA
355 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_CGAL
356 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_DISPLAY
357 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_KERNEL
358 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
359 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
360 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
361 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_RANDOM
362 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_SYSTEM
363 IMP_CONTAINER_HAS_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_CGAL
364 IMP_CONTAINER_HAS_HDF5 = _IMP_npctransport.IMP_CONTAINER_HAS_HDF5
365 IMP_CONTAINER_HAS_NUMPY = _IMP_npctransport.IMP_CONTAINER_HAS_NUMPY
366 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_npctransport.IMP_CONTAINER_HAS_PYTHON_IHM
367 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
368 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_ROBIN_MAP
369 IMPCONTAINER_SHOW_WARNINGS = _IMP_npctransport.IMPCONTAINER_SHOW_WARNINGS
371 IMP_ATOM_HAS_IMP_CGAL = _IMP_npctransport.IMP_ATOM_HAS_IMP_CGAL
372 IMP_ATOM_HAS_IMP_KERNEL = _IMP_npctransport.IMP_ATOM_HAS_IMP_KERNEL
373 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
374 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
375 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_RANDOM
376 IMP_ATOM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ATOM_HAS_BOOST_REGEX
377 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_SYSTEM
378 IMP_ATOM_HAS_CGAL = _IMP_npctransport.IMP_ATOM_HAS_CGAL
379 IMP_ATOM_HAS_HDF5 = _IMP_npctransport.IMP_ATOM_HAS_HDF5
380 IMP_ATOM_HAS_NUMPY = _IMP_npctransport.IMP_ATOM_HAS_NUMPY
381 IMP_ATOM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ATOM_HAS_PYTHON_IHM
382 IMPATOM_SHOW_WARNINGS = _IMP_npctransport.IMPATOM_SHOW_WARNINGS
383 IMP_ATOM_TYPE_INDEX = _IMP_npctransport.IMP_ATOM_TYPE_INDEX
384 IMP_RESIDUE_TYPE_INDEX = _IMP_npctransport.IMP_RESIDUE_TYPE_INDEX
385 IMP_HIERARCHY_TYPE_INDEX = _IMP_npctransport.IMP_HIERARCHY_TYPE_INDEX
386 IMP_CHAIN_TYPE_INDEX = _IMP_npctransport.IMP_CHAIN_TYPE_INDEX
388 IMP_RMF_HAS_IMP_CGAL = _IMP_npctransport.IMP_RMF_HAS_IMP_CGAL
389 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
390 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_FILESYSTEM
391 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
392 IMP_RMF_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_RMF_HAS_BOOST_RANDOM
393 IMP_RMF_HAS_BOOST_REGEX = _IMP_npctransport.IMP_RMF_HAS_BOOST_REGEX
394 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_SYSTEM
395 IMP_RMF_HAS_CGAL = _IMP_npctransport.IMP_RMF_HAS_CGAL
396 IMP_RMF_HAS_HDF5 = _IMP_npctransport.IMP_RMF_HAS_HDF5
397 IMP_RMF_HAS_NUMPY = _IMP_npctransport.IMP_RMF_HAS_NUMPY
398 IMP_RMF_HAS_PYTHON_IHM = _IMP_npctransport.IMP_RMF_HAS_PYTHON_IHM
399 IMPRMF_SHOW_WARNINGS = _IMP_npctransport.IMPRMF_SHOW_WARNINGS
402 IMP_NPCTRANSPORT_HAS_IMP_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_CGAL
403 IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM
404 IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS
405 IMP_NPCTRANSPORT_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_RANDOM
406 IMP_NPCTRANSPORT_HAS_BOOST_REGEX = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_REGEX
407 IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM
408 IMP_NPCTRANSPORT_HAS_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_CGAL
409 IMP_NPCTRANSPORT_HAS_HDF5 = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_HDF5
410 IMP_NPCTRANSPORT_HAS_NUMPY = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_NUMPY
411 IMP_NPCTRANSPORT_HAS_PYTHON_IHM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_PYTHON_IHM
412 IMPNPCTRANSPORT_SHOW_WARNINGS = _IMP_npctransport.IMPNPCTRANSPORT_SHOW_WARNINGS
414 _object_types.append(
"SitesPairScore")
417 def _object_cast_to_SitesPairScore(o):
418 """_object_cast_to_SitesPairScore(Object o) -> SitesPairScore"""
419 return _IMP_npctransport._object_cast_to_SitesPairScore(o)
421 _object_types.append(
"Scoring")
424 def _object_cast_to_Scoring(o):
425 """_object_cast_to_Scoring(Object o) -> Scoring"""
426 return _IMP_npctransport._object_cast_to_Scoring(o)
428 _object_types.append(
"BrownianDynamicsTAMDWithSlabSupport")
431 def _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o):
432 """_object_cast_to_BrownianDynamicsTAMDWithSlabSupport(Object o) -> BrownianDynamicsTAMDWithSlabSupport"""
433 return _IMP_npctransport._object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
435 _object_types.append(
"Statistics")
438 def _object_cast_to_Statistics(o):
439 """_object_cast_to_Statistics(Object o) -> Statistics"""
440 return _IMP_npctransport._object_cast_to_Statistics(o)
442 _object_types.append(
"SimulationData")
445 def _object_cast_to_SimulationData(o):
446 """_object_cast_to_SimulationData(Object o) -> SimulationData"""
447 return _IMP_npctransport._object_cast_to_SimulationData(o)
449 _object_types.append(
"SitesGeometry")
452 def _object_cast_to_SitesGeometry(o):
453 """_object_cast_to_SitesGeometry(Object o) -> SitesGeometry"""
454 return _IMP_npctransport._object_cast_to_SitesGeometry(o)
456 _object_types.append(
"TypedSitesGeometry")
459 def _object_cast_to_TypedSitesGeometry(o):
460 """_object_cast_to_TypedSitesGeometry(Object o) -> TypedSitesGeometry"""
461 return _IMP_npctransport._object_cast_to_TypedSitesGeometry(o)
463 _object_types.append(
"SlabWithCylindricalPorePairScore")
466 def _object_cast_to_SlabWithCylindricalPorePairScore(o):
467 """_object_cast_to_SlabWithCylindricalPorePairScore(Object o) -> SlabWithCylindricalPorePairScore"""
468 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPorePairScore(o)
470 _object_types.append(
"SlabWithToroidalPorePairScore")
473 def _object_cast_to_SlabWithToroidalPorePairScore(o):
474 """_object_cast_to_SlabWithToroidalPorePairScore(Object o) -> SlabWithToroidalPorePairScore"""
475 return _IMP_npctransport._object_cast_to_SlabWithToroidalPorePairScore(o)
477 _object_types.append(
"PoreRadiusSingletonScore")
480 def _object_cast_to_PoreRadiusSingletonScore(o):
481 """_object_cast_to_PoreRadiusSingletonScore(Object o) -> PoreRadiusSingletonScore"""
482 return _IMP_npctransport._object_cast_to_PoreRadiusSingletonScore(o)
484 _object_types.append(
"ExcludeZRangeSingletonScore")
487 def _object_cast_to_ExcludeZRangeSingletonScore(o):
488 """_object_cast_to_ExcludeZRangeSingletonScore(Object o) -> ExcludeZRangeSingletonScore"""
489 return _IMP_npctransport._object_cast_to_ExcludeZRangeSingletonScore(o)
491 _object_types.append(
"ZBiasSingletonScore")
494 def _object_cast_to_ZBiasSingletonScore(o):
495 """_object_cast_to_ZBiasSingletonScore(Object o) -> ZBiasSingletonScore"""
496 return _IMP_npctransport._object_cast_to_ZBiasSingletonScore(o)
498 _object_types.append(
"SlabWithCylindricalPoreWireGeometry")
501 def _object_cast_to_SlabWithCylindricalPoreWireGeometry(o):
502 """_object_cast_to_SlabWithCylindricalPoreWireGeometry(Object o) -> SlabWithCylindricalPoreWireGeometry"""
503 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
505 _object_types.append(
"SlabWithCylindricalPoreSurfaceGeometry")
508 def _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o):
509 """_object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(Object o) -> SlabWithCylindricalPoreSurfaceGeometry"""
510 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
512 _object_types.append(
"SlabWithToroidalPoreWireGeometry")
515 def _object_cast_to_SlabWithToroidalPoreWireGeometry(o):
516 """_object_cast_to_SlabWithToroidalPoreWireGeometry(Object o) -> SlabWithToroidalPoreWireGeometry"""
517 return _IMP_npctransport._object_cast_to_SlabWithToroidalPoreWireGeometry(o)
519 _object_types.append(
"LinearSoftSpherePairScore")
522 def _object_cast_to_LinearSoftSpherePairScore(o):
523 """_object_cast_to_LinearSoftSpherePairScore(Object o) -> LinearSoftSpherePairScore"""
524 return _IMP_npctransport._object_cast_to_LinearSoftSpherePairScore(o)
526 _object_types.append(
"FunctorLinearSoftSpherePairScore")
529 def _object_cast_to_FunctorLinearSoftSpherePairScore(o):
530 """_object_cast_to_FunctorLinearSoftSpherePairScore(Object o) -> FunctorLinearSoftSpherePairScore"""
531 return _IMP_npctransport._object_cast_to_FunctorLinearSoftSpherePairScore(o)
533 _object_types.append(
"LinearInteractionPairScore")
536 def _object_cast_to_LinearInteractionPairScore(o):
537 """_object_cast_to_LinearInteractionPairScore(Object o) -> LinearInteractionPairScore"""
538 return _IMP_npctransport._object_cast_to_LinearInteractionPairScore(o)
540 _object_types.append(
"FunctorLinearInteractionPairScore")
543 def _object_cast_to_FunctorLinearInteractionPairScore(o):
544 """_object_cast_to_FunctorLinearInteractionPairScore(Object o) -> FunctorLinearInteractionPairScore"""
545 return _IMP_npctransport._object_cast_to_FunctorLinearInteractionPairScore(o)
547 _object_types.append(
"LinearWellPairScore")
550 def _object_cast_to_LinearWellPairScore(o):
551 """_object_cast_to_LinearWellPairScore(Object o) -> LinearWellPairScore"""
552 return _IMP_npctransport._object_cast_to_LinearWellPairScore(o)
554 _object_types.append(
"HarmonicSpringSingletonScore")
557 def _object_cast_to_HarmonicSpringSingletonScore(o):
558 """_object_cast_to_HarmonicSpringSingletonScore(Object o) -> HarmonicSpringSingletonScore"""
559 return _IMP_npctransport._object_cast_to_HarmonicSpringSingletonScore(o)
561 _object_types.append(
"HierarchyWithSitesSaveLink")
564 def _object_cast_to_HierarchyWithSitesSaveLink(o):
565 """_object_cast_to_HierarchyWithSitesSaveLink(Object o) -> HierarchyWithSitesSaveLink"""
566 return _IMP_npctransport._object_cast_to_HierarchyWithSitesSaveLink(o)
568 _object_types.append(
"HierarchyWithSitesLoadLink")
571 def _object_cast_to_HierarchyWithSitesLoadLink(o):
572 """_object_cast_to_HierarchyWithSitesLoadLink(Object o) -> HierarchyWithSitesLoadLink"""
573 return _IMP_npctransport._object_cast_to_HierarchyWithSitesLoadLink(o)
575 _object_types.append(
"ChainStatisticsOptimizerState")
578 def _object_cast_to_ChainStatisticsOptimizerState(o):
579 """_object_cast_to_ChainStatisticsOptimizerState(Object o) -> ChainStatisticsOptimizerState"""
580 return _IMP_npctransport._object_cast_to_ChainStatisticsOptimizerState(o)
582 _object_types.append(
"BodyStatisticsOptimizerState")
585 def _object_cast_to_BodyStatisticsOptimizerState(o):
586 """_object_cast_to_BodyStatisticsOptimizerState(Object o) -> BodyStatisticsOptimizerState"""
587 return _IMP_npctransport._object_cast_to_BodyStatisticsOptimizerState(o)
589 _object_types.append(
"BipartitePairsStatisticsOptimizerState")
592 def _object_cast_to_BipartitePairsStatisticsOptimizerState(o):
593 """_object_cast_to_BipartitePairsStatisticsOptimizerState(Object o) -> BipartitePairsStatisticsOptimizerState"""
594 return _IMP_npctransport._object_cast_to_BipartitePairsStatisticsOptimizerState(o)
596 _object_types.append(
"ParticleTransportStatisticsOptimizerState")
599 def _object_cast_to_ParticleTransportStatisticsOptimizerState(o):
600 """_object_cast_to_ParticleTransportStatisticsOptimizerState(Object o) -> ParticleTransportStatisticsOptimizerState"""
601 return _IMP_npctransport._object_cast_to_ParticleTransportStatisticsOptimizerState(o)
603 _object_types.append(
"FGChain")
606 def _object_cast_to_FGChain(o):
607 """_object_cast_to_FGChain(Object o) -> FGChain"""
608 return _IMP_npctransport._object_cast_to_FGChain(o)
610 _object_types.append(
"ParticleFactory")
613 def _object_cast_to_ParticleFactory(o):
614 """_object_cast_to_ParticleFactory(Object o) -> ParticleFactory"""
615 return _IMP_npctransport._object_cast_to_ParticleFactory(o)
618 _plural_types.append(
"Avro2PBReaders")
619 _value_types.append(
"Avro2PBReader")
622 SitesPairScoreParametersList=list
623 _plural_types.append(
"SitesPairScoreParametersList")
624 _value_types.append(
"SitesPairScoreParameters")
627 def Transportings(l=[]):
628 return [Transporting(x)
for x
in l]
629 _plural_types.append(
"Transportings")
632 _value_types.append(
"Transporting")
635 def SlabWithPores(l=[]):
636 return [SlabWithPore(x)
for x
in l]
637 _plural_types.append(
"SlabWithPores")
640 _value_types.append(
"SlabWithPore")
643 def SlabWithCylindricalPores(l=[]):
644 return [SlabWithCylindricalPore(x)
for x
in l]
645 _plural_types.append(
"SlabWithCylindricalPores")
648 _value_types.append(
"SlabWithCylindricalPore")
651 def RelaxingSprings(l=[]):
652 return [RelaxingSpring(x)
for x
in l]
653 _plural_types.append(
"RelaxingSprings")
656 _value_types.append(
"RelaxingSpring")
659 def SlabWithToroidalPores(l=[]):
660 return [SlabWithToroidalPore(x)
for x
in l]
661 _plural_types.append(
"SlabWithToroidalPores")
664 _value_types.append(
"SlabWithToroidalPore")
666 class _DoubleParameter(object):
667 """Proxy of C++ IMP::npctransport::Parameter<(double)> class."""
669 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
670 __repr__ = _swig_repr
674 __init__(IMP::npctransport::Parameter<(double)> self) -> _DoubleParameter
675 __init__(IMP::npctransport::Parameter<(double)> self, double t) -> _DoubleParameter
677 this = _IMP_npctransport.new__DoubleParameter(*args)
679 self.this.append(this)
680 except __builtin__.Exception:
684 """get_value(_DoubleParameter self) -> double"""
685 return _IMP_npctransport._DoubleParameter_get_value(self)
689 """is_init(_DoubleParameter self) -> bool"""
690 return _IMP_npctransport._DoubleParameter_is_init(self)
692 __swig_destroy__ = _IMP_npctransport.delete__DoubleParameter
693 __del__ =
lambda self:
None
694 _DoubleParameter_swigregister = _IMP_npctransport._DoubleParameter_swigregister
695 _DoubleParameter_swigregister(_DoubleParameter)
697 class _IntParameter(object):
698 """Proxy of C++ IMP::npctransport::Parameter<(int)> class."""
700 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
701 __repr__ = _swig_repr
705 __init__(IMP::npctransport::Parameter<(int)> self) -> _IntParameter
706 __init__(IMP::npctransport::Parameter<(int)> self, int t) -> _IntParameter
708 this = _IMP_npctransport.new__IntParameter(*args)
710 self.this.append(this)
711 except __builtin__.Exception:
715 """get_value(_IntParameter self) -> int"""
716 return _IMP_npctransport._IntParameter_get_value(self)
720 """is_init(_IntParameter self) -> bool"""
721 return _IMP_npctransport._IntParameter_is_init(self)
723 __swig_destroy__ = _IMP_npctransport.delete__IntParameter
724 __del__ =
lambda self:
None
725 _IntParameter_swigregister = _IMP_npctransport._IntParameter_swigregister
726 _IntParameter_swigregister(_IntParameter)
728 class _BoolParameter(object):
729 """Proxy of C++ IMP::npctransport::Parameter<(bool)> class."""
731 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
732 __repr__ = _swig_repr
736 __init__(IMP::npctransport::Parameter<(bool)> self) -> _BoolParameter
737 __init__(IMP::npctransport::Parameter<(bool)> self, bool t) -> _BoolParameter
739 this = _IMP_npctransport.new__BoolParameter(*args)
741 self.this.append(this)
742 except __builtin__.Exception:
746 """get_value(_BoolParameter self) -> bool"""
747 return _IMP_npctransport._BoolParameter_get_value(self)
751 """is_init(_BoolParameter self) -> bool"""
752 return _IMP_npctransport._BoolParameter_is_init(self)
754 __swig_destroy__ = _IMP_npctransport.delete__BoolParameter
755 __del__ =
lambda self:
None
756 _BoolParameter_swigregister = _IMP_npctransport._BoolParameter_swigregister
757 _BoolParameter_swigregister(_BoolParameter)
761 """make_ordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
762 return _IMP_npctransport.make_ordered_interaction_type(t0, t1)
765 """make_unordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
766 return _IMP_npctransport.make_unordered_interaction_type(t0, t1)
770 make_unordered_particle_index_pair(ParticleIndex pi0, ParticleIndex pi1) -> IMP::ParticleIndexPair
771 make_unordered_particle_index_pair(IMP::ParticleIndexPair pip) -> IMP::ParticleIndexPair
773 return _IMP_npctransport.make_unordered_particle_index_pair(*args)
775 """Proxy of C++ IMP::npctransport::LinearSoftSpherePairScore class."""
777 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
781 __init__(IMP::npctransport::LinearSoftSpherePairScore self, double k, std::string name) -> LinearSoftSpherePairScore
782 __init__(IMP::npctransport::LinearSoftSpherePairScore self, double k) -> LinearSoftSpherePairScore
784 this = _IMP_npctransport.new_LinearSoftSpherePairScore(*args)
786 self.this.append(this)
787 except __builtin__.Exception:
790 def do_get_inputs(self, m, pis):
791 """do_get_inputs(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
792 return _IMP_npctransport.LinearSoftSpherePairScore_do_get_inputs(self, m, pis)
796 """get_k(LinearSoftSpherePairScore self) -> double"""
797 return _IMP_npctransport.LinearSoftSpherePairScore_get_k(self)
800 def get_version_info(self):
801 """get_version_info(LinearSoftSpherePairScore self) -> VersionInfo"""
802 return _IMP_npctransport.LinearSoftSpherePairScore_get_version_info(self)
806 """__str__(LinearSoftSpherePairScore self) -> std::string"""
807 return _IMP_npctransport.LinearSoftSpherePairScore___str__(self)
811 """__repr__(LinearSoftSpherePairScore self) -> std::string"""
812 return _IMP_npctransport.LinearSoftSpherePairScore___repr__(self)
817 return _object_cast_to_LinearSoftSpherePairScore(o)
819 LinearSoftSpherePairScore_swigregister = _IMP_npctransport.LinearSoftSpherePairScore_swigregister
820 LinearSoftSpherePairScore_swigregister(LinearSoftSpherePairScore)
823 """Proxy of C++ IMP::npctransport::LinearInteractionPairScore class."""
825 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
829 __init__(IMP::npctransport::LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr, std::string name) -> LinearInteractionPairScore
830 __init__(IMP::npctransport::LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr) -> LinearInteractionPairScore
832 this = _IMP_npctransport.new_LinearInteractionPairScore(*args)
834 self.this.append(this)
835 except __builtin__.Exception:
838 def evaluate_if_good_index(self, *args):
840 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPair const & p, DerivativeAccumulator da, double max) -> double
841 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
843 return _IMP_npctransport.LinearInteractionPairScore_evaluate_if_good_index(self, *args)
846 def do_get_inputs(self, m, pis):
847 """do_get_inputs(LinearInteractionPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
848 return _IMP_npctransport.LinearInteractionPairScore_do_get_inputs(self, m, pis)
851 def get_range_attraction(self):
852 """get_range_attraction(LinearInteractionPairScore self) -> double"""
853 return _IMP_npctransport.LinearInteractionPairScore_get_range_attraction(self)
856 def get_k_attraction(self):
857 """get_k_attraction(LinearInteractionPairScore self) -> double"""
858 return _IMP_npctransport.LinearInteractionPairScore_get_k_attraction(self)
861 def set_k_attraction(self, k_attr):
862 """set_k_attraction(LinearInteractionPairScore self, double k_attr)"""
863 return _IMP_npctransport.LinearInteractionPairScore_set_k_attraction(self, k_attr)
866 def get_k_repulsion(self):
867 """get_k_repulsion(LinearInteractionPairScore self) -> double"""
868 return _IMP_npctransport.LinearInteractionPairScore_get_k_repulsion(self)
871 def set_k_repulsion(self, k_rep):
872 """set_k_repulsion(LinearInteractionPairScore self, double k_rep)"""
873 return _IMP_npctransport.LinearInteractionPairScore_set_k_repulsion(self, k_rep)
876 def get_version_info(self):
877 """get_version_info(LinearInteractionPairScore self) -> VersionInfo"""
878 return _IMP_npctransport.LinearInteractionPairScore_get_version_info(self)
882 """__str__(LinearInteractionPairScore self) -> std::string"""
883 return _IMP_npctransport.LinearInteractionPairScore___str__(self)
887 """__repr__(LinearInteractionPairScore self) -> std::string"""
888 return _IMP_npctransport.LinearInteractionPairScore___repr__(self)
893 return _object_cast_to_LinearInteractionPairScore(o)
895 LinearInteractionPairScore_swigregister = _IMP_npctransport.LinearInteractionPairScore_swigregister
896 LinearInteractionPairScore_swigregister(LinearInteractionPairScore)
899 """Proxy of C++ IMP::npctransport::LinearWellPairScore class."""
901 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
905 __init__(IMP::npctransport::LinearWellPairScore self, double rest_length_factor, double k, std::string name) -> LinearWellPairScore
906 __init__(IMP::npctransport::LinearWellPairScore self, double rest_length_factor, double k) -> LinearWellPairScore
908 this = _IMP_npctransport.new_LinearWellPairScore(*args)
910 self.this.append(this)
911 except __builtin__.Exception:
914 def set_rest_length_factor(self, rest_length_factor):
915 """set_rest_length_factor(LinearWellPairScore self, double rest_length_factor)"""
916 return _IMP_npctransport.LinearWellPairScore_set_rest_length_factor(self, rest_length_factor)
919 def get_rest_length_factor(self):
920 """get_rest_length_factor(LinearWellPairScore self) -> double"""
921 return _IMP_npctransport.LinearWellPairScore_get_rest_length_factor(self)
925 """set_k(LinearWellPairScore self, double k)"""
926 return _IMP_npctransport.LinearWellPairScore_set_k(self, k)
930 """get_k(LinearWellPairScore self) -> double"""
931 return _IMP_npctransport.LinearWellPairScore_get_k(self)
934 def do_get_inputs(self, m, pis):
935 """do_get_inputs(LinearWellPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
936 return _IMP_npctransport.LinearWellPairScore_do_get_inputs(self, m, pis)
939 def get_version_info(self):
940 """get_version_info(LinearWellPairScore self) -> VersionInfo"""
941 return _IMP_npctransport.LinearWellPairScore_get_version_info(self)
945 """__str__(LinearWellPairScore self) -> std::string"""
946 return _IMP_npctransport.LinearWellPairScore___str__(self)
950 """__repr__(LinearWellPairScore self) -> std::string"""
951 return _IMP_npctransport.LinearWellPairScore___repr__(self)
956 return _object_cast_to_LinearWellPairScore(o)
958 LinearWellPairScore_swigregister = _IMP_npctransport.LinearWellPairScore_swigregister
959 LinearWellPairScore_swigregister(LinearWellPairScore)
962 """Proxy of C++ IMP::npctransport::RelaxingSpring class."""
964 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
968 __init__(IMP::npctransport::RelaxingSpring self) -> RelaxingSpring
969 __init__(IMP::npctransport::RelaxingSpring self, Model m, ParticleIndex id) -> RelaxingSpring
970 __init__(IMP::npctransport::RelaxingSpring self, _ParticleAdaptor d) -> RelaxingSpring
972 this = _IMP_npctransport.new_RelaxingSpring(*args)
974 self.this.append(this)
975 except __builtin__.Exception:
978 def show(self, *args):
980 show(RelaxingSpring self, _ostream out)
981 show(RelaxingSpring self)
983 return _IMP_npctransport.RelaxingSpring_show(self, *args)
986 def setup_particle(*args):
988 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
989 setup_particle(_ParticleAdaptor decorator, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
991 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
993 setup_particle = staticmethod(setup_particle)
995 def get_is_setup(*args):
997 get_is_setup(_ParticleAdaptor p) -> bool
998 get_is_setup(Model m, ParticleIndex pi) -> bool
1000 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1002 get_is_setup = staticmethod(get_is_setup)
1004 def get_bonded_particle_0_key():
1005 """get_bonded_particle_0_key() -> ParticleIndexKey"""
1006 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1008 get_bonded_particle_0_key = staticmethod(get_bonded_particle_0_key)
1010 def get_bonded_particle_1_key():
1011 """get_bonded_particle_1_key() -> ParticleIndexKey"""
1012 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1014 get_bonded_particle_1_key = staticmethod(get_bonded_particle_1_key)
1016 def get_equilibrium_rest_length_factor_key():
1017 """get_equilibrium_rest_length_factor_key() -> FloatKey"""
1018 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1020 get_equilibrium_rest_length_factor_key = staticmethod(get_equilibrium_rest_length_factor_key)
1022 def get_rest_length_key():
1023 """get_rest_length_key() -> FloatKey"""
1024 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1026 get_rest_length_key = staticmethod(get_rest_length_key)
1028 def get_rest_length_diffusion_coefficient_key():
1029 """get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1030 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1032 get_rest_length_diffusion_coefficient_key = staticmethod(get_rest_length_diffusion_coefficient_key)
1034 def get_bonded_particle_0(self):
1035 """get_bonded_particle_0(RelaxingSpring self) -> Particle"""
1036 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0(self)
1039 def get_bonded_particle_1(self):
1040 """get_bonded_particle_1(RelaxingSpring self) -> Particle"""
1041 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1(self)
1044 def get_bonded_particle_index_0(self):
1045 """get_bonded_particle_index_0(RelaxingSpring self) -> ParticleIndex"""
1046 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_0(self)
1049 def get_bonded_particle_index_1(self):
1050 """get_bonded_particle_index_1(RelaxingSpring self) -> ParticleIndex"""
1051 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_1(self)
1054 def get_equilibrium_rest_length_factor(self):
1055 """get_equilibrium_rest_length_factor(RelaxingSpring self) -> IMP::Float"""
1056 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor(self)
1059 def set_equilibrium_rest_length_factor(self, t):
1060 """set_equilibrium_rest_length_factor(RelaxingSpring self, IMP::Float t)"""
1061 return _IMP_npctransport.RelaxingSpring_set_equilibrium_rest_length_factor(self, t)
1064 def get_rest_length(self):
1065 """get_rest_length(RelaxingSpring self) -> IMP::Float"""
1066 return _IMP_npctransport.RelaxingSpring_get_rest_length(self)
1069 def set_rest_length(self, t):
1070 """set_rest_length(RelaxingSpring self, IMP::Float t)"""
1071 return _IMP_npctransport.RelaxingSpring_set_rest_length(self, t)
1074 def get_rest_length_diffusion_coefficient(self):
1075 """get_rest_length_diffusion_coefficient(RelaxingSpring self) -> IMP::Float"""
1076 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient(self)
1079 def set_rest_length_diffusion_coefficient(self, t):
1080 """set_rest_length_diffusion_coefficient(RelaxingSpring self, IMP::Float t)"""
1081 return _IMP_npctransport.RelaxingSpring_set_rest_length_diffusion_coefficient(self, t)
1084 def add_to_rest_length_derivative(self, d, da):
1085 """add_to_rest_length_derivative(RelaxingSpring self, double d, DerivativeAccumulator da)"""
1086 return _IMP_npctransport.RelaxingSpring_add_to_rest_length_derivative(self, d, da)
1089 def get_rest_length_derivative(self):
1090 """get_rest_length_derivative(RelaxingSpring self) -> double"""
1091 return _IMP_npctransport.RelaxingSpring_get_rest_length_derivative(self)
1094 def add_attribute(self, *args):
1096 add_attribute(RelaxingSpring self, FloatKey k, IMP::Float v, bool opt)
1097 add_attribute(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1098 add_attribute(RelaxingSpring self, IntKey a0, IMP::Int a1)
1099 add_attribute(RelaxingSpring self, StringKey a0, IMP::String a1)
1100 add_attribute(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1101 add_attribute(RelaxingSpring self, ObjectKey a0, Object a1)
1103 return _IMP_npctransport.RelaxingSpring_add_attribute(self, *args)
1106 def get_value(self, *args):
1108 get_value(RelaxingSpring self, FloatKey a0) -> IMP::Float
1109 get_value(RelaxingSpring self, IntKey a0) -> IMP::Int
1110 get_value(RelaxingSpring self, StringKey a0) -> IMP::String
1111 get_value(RelaxingSpring self, ParticleIndexKey a0) -> Particle
1112 get_value(RelaxingSpring self, ObjectKey a0) -> Object
1114 return _IMP_npctransport.RelaxingSpring_get_value(self, *args)
1117 def set_value(self, *args):
1119 set_value(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1120 set_value(RelaxingSpring self, IntKey a0, IMP::Int a1)
1121 set_value(RelaxingSpring self, StringKey a0, IMP::String a1)
1122 set_value(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1123 set_value(RelaxingSpring self, ObjectKey a0, Object a1)
1125 return _IMP_npctransport.RelaxingSpring_set_value(self, *args)
1128 def remove_attribute(self, *args):
1130 remove_attribute(RelaxingSpring self, FloatKey a0)
1131 remove_attribute(RelaxingSpring self, IntKey a0)
1132 remove_attribute(RelaxingSpring self, StringKey a0)
1133 remove_attribute(RelaxingSpring self, ParticleIndexKey a0)
1134 remove_attribute(RelaxingSpring self, ObjectKey a0)
1136 return _IMP_npctransport.RelaxingSpring_remove_attribute(self, *args)
1139 def has_attribute(self, *args):
1141 has_attribute(RelaxingSpring self, FloatKey a0) -> bool
1142 has_attribute(RelaxingSpring self, IntKey a0) -> bool
1143 has_attribute(RelaxingSpring self, StringKey a0) -> bool
1144 has_attribute(RelaxingSpring self, ParticleIndexKey a0) -> bool
1145 has_attribute(RelaxingSpring self, ObjectKey a0) -> bool
1147 return _IMP_npctransport.RelaxingSpring_has_attribute(self, *args)
1150 def get_derivative(self, a0):
1151 """get_derivative(RelaxingSpring self, FloatKey a0) -> double"""
1152 return _IMP_npctransport.RelaxingSpring_get_derivative(self, a0)
1156 """get_name(RelaxingSpring self) -> std::string"""
1157 return _IMP_npctransport.RelaxingSpring_get_name(self)
1160 def clear_caches(self):
1161 """clear_caches(RelaxingSpring self)"""
1162 return _IMP_npctransport.RelaxingSpring_clear_caches(self)
1165 def set_name(self, a0):
1166 """set_name(RelaxingSpring self, std::string a0)"""
1167 return _IMP_npctransport.RelaxingSpring_set_name(self, a0)
1171 """set_check_level(RelaxingSpring self, IMP::CheckLevel a0)"""
1172 return _IMP_npctransport.RelaxingSpring_set_check_level(self, a0)
1175 def add_to_derivative(self, a0, a1, a2):
1176 """add_to_derivative(RelaxingSpring self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1177 return _IMP_npctransport.RelaxingSpring_add_to_derivative(self, a0, a1, a2)
1180 def set_is_optimized(self, a0, a1):
1181 """set_is_optimized(RelaxingSpring self, FloatKey a0, bool a1)"""
1182 return _IMP_npctransport.RelaxingSpring_set_is_optimized(self, a0, a1)
1185 def get_is_optimized(self, a0):
1186 """get_is_optimized(RelaxingSpring self, FloatKey a0) -> bool"""
1187 return _IMP_npctransport.RelaxingSpring_get_is_optimized(self, a0)
1191 """get_check_level(RelaxingSpring self) -> IMP::CheckLevel"""
1192 return _IMP_npctransport.RelaxingSpring_get_check_level(self)
1195 def __eq__(self, *args):
1197 __eq__(RelaxingSpring self, RelaxingSpring o) -> bool
1198 __eq__(RelaxingSpring self, Particle d) -> bool
1200 return _IMP_npctransport.RelaxingSpring___eq__(self, *args)
1203 def __ne__(self, *args):
1205 __ne__(RelaxingSpring self, RelaxingSpring o) -> bool
1206 __ne__(RelaxingSpring self, Particle d) -> bool
1208 return _IMP_npctransport.RelaxingSpring___ne__(self, *args)
1211 def __le__(self, *args):
1213 __le__(RelaxingSpring self, RelaxingSpring o) -> bool
1214 __le__(RelaxingSpring self, Particle d) -> bool
1216 return _IMP_npctransport.RelaxingSpring___le__(self, *args)
1219 def __lt__(self, *args):
1221 __lt__(RelaxingSpring self, RelaxingSpring o) -> bool
1222 __lt__(RelaxingSpring self, Particle d) -> bool
1224 return _IMP_npctransport.RelaxingSpring___lt__(self, *args)
1227 def __ge__(self, *args):
1229 __ge__(RelaxingSpring self, RelaxingSpring o) -> bool
1230 __ge__(RelaxingSpring self, Particle d) -> bool
1232 return _IMP_npctransport.RelaxingSpring___ge__(self, *args)
1235 def __gt__(self, *args):
1237 __gt__(RelaxingSpring self, RelaxingSpring o) -> bool
1238 __gt__(RelaxingSpring self, Particle d) -> bool
1240 return _IMP_npctransport.RelaxingSpring___gt__(self, *args)
1244 """__hash__(RelaxingSpring self) -> std::size_t"""
1245 return _IMP_npctransport.RelaxingSpring___hash__(self)
1249 """__str__(RelaxingSpring self) -> std::string"""
1250 return _IMP_npctransport.RelaxingSpring___str__(self)
1254 """__repr__(RelaxingSpring self) -> std::string"""
1255 return _IMP_npctransport.RelaxingSpring___repr__(self)
1257 __swig_destroy__ = _IMP_npctransport.delete_RelaxingSpring
1258 __del__ =
lambda self:
None
1259 RelaxingSpring_swigregister = _IMP_npctransport.RelaxingSpring_swigregister
1260 RelaxingSpring_swigregister(RelaxingSpring)
1262 def RelaxingSpring_setup_particle(*args):
1264 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1265 RelaxingSpring_setup_particle(_ParticleAdaptor decorator, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1267 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
1269 def RelaxingSpring_get_is_setup(*args):
1271 get_is_setup(_ParticleAdaptor p) -> bool
1272 RelaxingSpring_get_is_setup(Model m, ParticleIndex pi) -> bool
1274 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1276 def RelaxingSpring_get_bonded_particle_0_key():
1277 """RelaxingSpring_get_bonded_particle_0_key() -> ParticleIndexKey"""
1278 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1280 def RelaxingSpring_get_bonded_particle_1_key():
1281 """RelaxingSpring_get_bonded_particle_1_key() -> ParticleIndexKey"""
1282 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1284 def RelaxingSpring_get_equilibrium_rest_length_factor_key():
1285 """RelaxingSpring_get_equilibrium_rest_length_factor_key() -> FloatKey"""
1286 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1288 def RelaxingSpring_get_rest_length_key():
1289 """RelaxingSpring_get_rest_length_key() -> FloatKey"""
1290 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1292 def RelaxingSpring_get_rest_length_diffusion_coefficient_key():
1293 """RelaxingSpring_get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1294 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1297 """Proxy of C++ IMP::npctransport::HarmonicSpringSingletonScore class."""
1299 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1303 __init__(IMP::npctransport::HarmonicSpringSingletonScore self, double k1, double k2, std::string name) -> HarmonicSpringSingletonScore
1304 __init__(IMP::npctransport::HarmonicSpringSingletonScore self, double k1, double k2) -> HarmonicSpringSingletonScore
1306 this = _IMP_npctransport.new_HarmonicSpringSingletonScore(*args)
1308 self.this.append(this)
1309 except __builtin__.Exception:
1312 def set_k1(self, k1):
1313 """set_k1(HarmonicSpringSingletonScore self, double k1)"""
1314 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k1(self, k1)
1318 """get_k1(HarmonicSpringSingletonScore self) -> double"""
1319 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k1(self)
1322 def set_k2(self, k2):
1323 """set_k2(HarmonicSpringSingletonScore self, double k2)"""
1324 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k2(self, k2)
1328 """get_k2(HarmonicSpringSingletonScore self) -> double"""
1329 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k2(self)
1332 def do_get_inputs(self, m, pis):
1333 """do_get_inputs(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1334 return _IMP_npctransport.HarmonicSpringSingletonScore_do_get_inputs(self, m, pis)
1337 def get_version_info(self):
1338 """get_version_info(HarmonicSpringSingletonScore self) -> VersionInfo"""
1339 return _IMP_npctransport.HarmonicSpringSingletonScore_get_version_info(self)
1343 """__str__(HarmonicSpringSingletonScore self) -> std::string"""
1344 return _IMP_npctransport.HarmonicSpringSingletonScore___str__(self)
1348 """__repr__(HarmonicSpringSingletonScore self) -> std::string"""
1349 return _IMP_npctransport.HarmonicSpringSingletonScore___repr__(self)
1354 return _object_cast_to_HarmonicSpringSingletonScore(o)
1356 HarmonicSpringSingletonScore_swigregister = _IMP_npctransport.HarmonicSpringSingletonScore_swigregister
1357 HarmonicSpringSingletonScore_swigregister(HarmonicSpringSingletonScore)
1359 class LinearInteraction(object):
1360 """Proxy of C++ IMP::npctransport::LinearInteraction class."""
1362 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1363 __repr__ = _swig_repr
1365 def __init__(self, krep, attr_range, kattr):
1366 """__init__(IMP::npctransport::LinearInteraction self, double krep, double attr_range, double kattr) -> LinearInteraction"""
1367 this = _IMP_npctransport.new_LinearInteraction(krep, attr_range, kattr)
1369 self.this.append(this)
1370 except __builtin__.Exception:
1373 def show(self, *args):
1375 show(LinearInteraction self, _ostream out)
1376 show(LinearInteraction self)
1378 return _IMP_npctransport.LinearInteraction_show(self, *args)
1380 __swig_destroy__ = _IMP_npctransport.delete_LinearInteraction
1381 __del__ =
lambda self:
None
1382 LinearInteraction_swigregister = _IMP_npctransport.LinearInteraction_swigregister
1383 LinearInteraction_swigregister(LinearInteraction)
1386 """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearSoftSphereScore)> class."""
1388 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1389 __repr__ = _swig_repr
1393 __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
1394 __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
1396 this = _IMP_npctransport.new__DistancePairScoreForLinearSoftSphere(*args)
1398 self.this.append(this)
1399 except __builtin__.Exception:
1402 def do_get_inputs(self, m, pis):
1403 """do_get_inputs(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1404 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_do_get_inputs(self, m, pis)
1407 def get_score_functor(self):
1408 """get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > &"""
1409 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_score_functor(self)
1412 def get_version_info(self):
1413 """get_version_info(_DistancePairScoreForLinearSoftSphere self) -> VersionInfo"""
1414 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_version_info(self)
1416 _DistancePairScoreForLinearSoftSphere_swigregister = _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swigregister
1417 _DistancePairScoreForLinearSoftSphere_swigregister(_DistancePairScoreForLinearSoftSphere)
1419 class _DistancePairScoreForLinearInteraction(
IMP.PairScore):
1420 """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearInteractionScore)> class."""
1422 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1423 __repr__ = _swig_repr
1427 __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
1428 __init__(IMP::score_functor::DistancePairScore<(IMP::npctransport::LinearInteractionScore)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0) -> _DistancePairScoreForLinearInteraction
1430 this = _IMP_npctransport.new__DistancePairScoreForLinearInteraction(*args)
1432 self.this.append(this)
1433 except __builtin__.Exception:
1436 def do_get_inputs(self, m, pis):
1437 """do_get_inputs(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1438 return _IMP_npctransport._DistancePairScoreForLinearInteraction_do_get_inputs(self, m, pis)
1441 def get_score_functor(self):
1442 """get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > &"""
1443 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_score_functor(self)
1446 def get_version_info(self):
1447 """get_version_info(_DistancePairScoreForLinearInteraction self) -> VersionInfo"""
1448 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_version_info(self)
1450 _DistancePairScoreForLinearInteraction_swigregister = _IMP_npctransport._DistancePairScoreForLinearInteraction_swigregister
1451 _DistancePairScoreForLinearInteraction_swigregister(_DistancePairScoreForLinearInteraction)
1453 class FunctorLinearSoftSpherePairScore(_DistancePairScoreForLinearSoftSphere):
1454 """Proxy of C++ IMP::npctransport::FunctorLinearSoftSpherePairScore class."""
1456 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1460 __init__(IMP::npctransport::FunctorLinearSoftSpherePairScore self, double k, std::string name) -> FunctorLinearSoftSpherePairScore
1461 __init__(IMP::npctransport::FunctorLinearSoftSpherePairScore self, double k) -> FunctorLinearSoftSpherePairScore
1463 this = _IMP_npctransport.new_FunctorLinearSoftSpherePairScore(*args)
1465 self.this.append(this)
1466 except __builtin__.Exception:
1470 """__str__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1471 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___str__(self)
1475 """__repr__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1476 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___repr__(self)
1481 return _object_cast_to_FunctorLinearSoftSpherePairScore(o)
1483 FunctorLinearSoftSpherePairScore_swigregister = _IMP_npctransport.FunctorLinearSoftSpherePairScore_swigregister
1484 FunctorLinearSoftSpherePairScore_swigregister(FunctorLinearSoftSpherePairScore)
1486 class FunctorLinearInteractionPairScore(_DistancePairScoreForLinearInteraction):
1487 """Proxy of C++ IMP::npctransport::FunctorLinearInteractionPairScore class."""
1489 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1493 __init__(IMP::npctransport::FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr, std::string name) -> FunctorLinearInteractionPairScore
1494 __init__(IMP::npctransport::FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr) -> FunctorLinearInteractionPairScore
1496 this = _IMP_npctransport.new_FunctorLinearInteractionPairScore(*args)
1498 self.this.append(this)
1499 except __builtin__.Exception:
1503 """__str__(FunctorLinearInteractionPairScore self) -> std::string"""
1504 return _IMP_npctransport.FunctorLinearInteractionPairScore___str__(self)
1508 """__repr__(FunctorLinearInteractionPairScore self) -> std::string"""
1509 return _IMP_npctransport.FunctorLinearInteractionPairScore___repr__(self)
1514 return _object_cast_to_FunctorLinearInteractionPairScore(o)
1516 FunctorLinearInteractionPairScore_swigregister = _IMP_npctransport.FunctorLinearInteractionPairScore_swigregister
1517 FunctorLinearInteractionPairScore_swigregister(FunctorLinearInteractionPairScore)
1520 """Proxy of C++ IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport class."""
1522 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1526 __init__(IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamicsTAMDWithSlabSupport
1527 __init__(IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name) -> BrownianDynamicsTAMDWithSlabSupport
1528 __init__(IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport self, Model m) -> BrownianDynamicsTAMDWithSlabSupport
1530 this = _IMP_npctransport.new_BrownianDynamicsTAMDWithSlabSupport(*args)
1532 self.this.append(this)
1533 except __builtin__.Exception:
1537 """__str__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1538 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___str__(self)
1542 """__repr__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1543 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___repr__(self)
1548 return _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
1550 __swig_destroy__ = _IMP_npctransport.delete_BrownianDynamicsTAMDWithSlabSupport
1551 __del__ =
lambda self:
None
1552 BrownianDynamicsTAMDWithSlabSupport_swigregister = _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swigregister
1553 BrownianDynamicsTAMDWithSlabSupport_swigregister(BrownianDynamicsTAMDWithSlabSupport)
1555 class SitesPairScoreParameters(object):
1556 """Proxy of C++ IMP::npctransport::SitesPairScoreParameters class."""
1558 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1559 r = _swig_property(_IMP_npctransport.SitesPairScoreParameters_r_get, _IMP_npctransport.SitesPairScoreParameters_r_set)
1560 k = _swig_property(_IMP_npctransport.SitesPairScoreParameters_k_get, _IMP_npctransport.SitesPairScoreParameters_k_set)
1561 r2 = _swig_property(_IMP_npctransport.SitesPairScoreParameters_r2_get, _IMP_npctransport.SitesPairScoreParameters_r2_set)
1562 kr = _swig_property(_IMP_npctransport.SitesPairScoreParameters_kr_get, _IMP_npctransport.SitesPairScoreParameters_kr_set)
1563 kr2 = _swig_property(_IMP_npctransport.SitesPairScoreParameters_kr2_get, _IMP_npctransport.SitesPairScoreParameters_kr2_set)
1564 cosSigma1_max = _swig_property(_IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_set)
1565 cosSigma2_max = _swig_property(_IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_set)
1566 is_orientational = _swig_property(_IMP_npctransport.SitesPairScoreParameters_is_orientational_get, _IMP_npctransport.SitesPairScoreParameters_is_orientational_set)
1568 def __init__(self, range, k_coefficient, sigma1_max_deg=0.0, sigma2_max_deg=0.0):
1570 __init__(IMP::npctransport::SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0) -> SitesPairScoreParameters
1571 __init__(IMP::npctransport::SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0) -> SitesPairScoreParameters
1572 __init__(IMP::npctransport::SitesPairScoreParameters self, double range, double k_coefficient) -> SitesPairScoreParameters
1574 this = _IMP_npctransport.new_SitesPairScoreParameters(range, k_coefficient, sigma1_max_deg, sigma2_max_deg)
1576 self.this.append(this)
1577 except __builtin__.Exception:
1580 def set_range(self, r):
1581 """set_range(SitesPairScoreParameters self, double r)"""
1582 return _IMP_npctransport.SitesPairScoreParameters_set_range(self, r)
1585 def set_force_coefficient(self, k):
1586 """set_force_coefficient(SitesPairScoreParameters self, double k)"""
1587 return _IMP_npctransport.SitesPairScoreParameters_set_force_coefficient(self, k)
1590 def set_sigma1_max(self, sigma1_max_deg):
1591 """set_sigma1_max(SitesPairScoreParameters self, double sigma1_max_deg)"""
1592 return _IMP_npctransport.SitesPairScoreParameters_set_sigma1_max(self, sigma1_max_deg)
1595 def set_sigma2_max(self, sigma2_max_deg):
1596 """set_sigma2_max(SitesPairScoreParameters self, double sigma2_max_deg)"""
1597 return _IMP_npctransport.SitesPairScoreParameters_set_sigma2_max(self, sigma2_max_deg)
1600 def update_is_orientational(self):
1601 """update_is_orientational(SitesPairScoreParameters self)"""
1602 return _IMP_npctransport.SitesPairScoreParameters_update_is_orientational(self)
1605 def show(self, *args):
1607 show(SitesPairScoreParameters self, _ostream out)
1608 show(SitesPairScoreParameters self)
1610 return _IMP_npctransport.SitesPairScoreParameters_show(self, *args)
1614 """__str__(SitesPairScoreParameters self) -> std::string"""
1615 return _IMP_npctransport.SitesPairScoreParameters___str__(self)
1619 """__repr__(SitesPairScoreParameters self) -> std::string"""
1620 return _IMP_npctransport.SitesPairScoreParameters___repr__(self)
1622 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScoreParameters
1623 __del__ =
lambda self:
None
1624 SitesPairScoreParameters_swigregister = _IMP_npctransport.SitesPairScoreParameters_swigregister
1625 SitesPairScoreParameters_swigregister(SitesPairScoreParameters)
1628 """Proxy of C++ IMP::npctransport::SitesGeometry class."""
1630 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1633 """__init__(IMP::npctransport::SitesGeometry self, Particle p, IMP::algebra::Sphere3Ds sites) -> SitesGeometry"""
1634 this = _IMP_npctransport.new_SitesGeometry(p, sites)
1636 self.this.append(this)
1637 except __builtin__.Exception:
1641 """__str__(SitesGeometry self) -> std::string"""
1642 return _IMP_npctransport.SitesGeometry___str__(self)
1646 """__repr__(SitesGeometry self) -> std::string"""
1647 return _IMP_npctransport.SitesGeometry___repr__(self)
1652 return _object_cast_to_SitesGeometry(o)
1654 SitesGeometry_swigregister = _IMP_npctransport.SitesGeometry_swigregister
1655 SitesGeometry_swigregister(SitesGeometry)
1658 """Proxy of C++ IMP::npctransport::TypedSitesGeometry class."""
1660 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1663 """__init__(IMP::npctransport::TypedSitesGeometry self, _SingletonContainerAdaptor sc) -> TypedSitesGeometry"""
1664 this = _IMP_npctransport.new_TypedSitesGeometry(sc)
1666 self.this.append(this)
1667 except __builtin__.Exception:
1670 def set_sites(self, t, s):
1671 """set_sites(TypedSitesGeometry self, ParticleType t, IMP::algebra::Sphere3Ds s)"""
1672 return _IMP_npctransport.TypedSitesGeometry_set_sites(self, t, s)
1675 def get_version_info(self):
1676 """get_version_info(TypedSitesGeometry self) -> VersionInfo"""
1677 return _IMP_npctransport.TypedSitesGeometry_get_version_info(self)
1681 """__str__(TypedSitesGeometry self) -> std::string"""
1682 return _IMP_npctransport.TypedSitesGeometry___str__(self)
1686 """__repr__(TypedSitesGeometry self) -> std::string"""
1687 return _IMP_npctransport.TypedSitesGeometry___repr__(self)
1692 return _object_cast_to_TypedSitesGeometry(o)
1694 TypedSitesGeometry_swigregister = _IMP_npctransport.TypedSitesGeometry_swigregister
1695 TypedSitesGeometry_swigregister(TypedSitesGeometry)
1697 class SitesPairScore(LinearInteractionPairScore):
1698 """Proxy of C++ IMP::npctransport::SitesPairScore class."""
1700 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1702 def __init__(self, range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1):
1703 """__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"""
1704 this = _IMP_npctransport.new_SitesPairScore(range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1)
1706 self.this.append(this)
1707 except __builtin__.Exception:
1710 def get_sites_range(self):
1711 """get_sites_range(SitesPairScore self) -> double"""
1712 return _IMP_npctransport.SitesPairScore_get_sites_range(self)
1715 def get_sites_k(self):
1716 """get_sites_k(SitesPairScore self) -> double"""
1717 return _IMP_npctransport.SitesPairScore_get_sites_k(self)
1720 def get_parameters(self):
1721 """get_parameters(SitesPairScore self) -> SitesPairScoreParameters"""
1722 return _IMP_npctransport.SitesPairScore_get_parameters(self)
1725 def set_sites(self, sites0, sites1):
1726 """set_sites(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1)"""
1727 return _IMP_npctransport.SitesPairScore_set_sites(self, sites0, sites1)
1730 def set_sites0(self, sites0):
1731 """set_sites0(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0)"""
1732 return _IMP_npctransport.SitesPairScore_set_sites0(self, sites0)
1735 def set_sites1(self, sites1):
1736 """set_sites1(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites1)"""
1737 return _IMP_npctransport.SitesPairScore_set_sites1(self, sites1)
1741 """__str__(SitesPairScore self) -> std::string"""
1742 return _IMP_npctransport.SitesPairScore___str__(self)
1746 """__repr__(SitesPairScore self) -> std::string"""
1747 return _IMP_npctransport.SitesPairScore___repr__(self)
1752 return _object_cast_to_SitesPairScore(o)
1754 SitesPairScore_swigregister = _IMP_npctransport.SitesPairScore_swigregister
1755 SitesPairScore_swigregister(SitesPairScore)
1758 """Proxy of C++ IMP::npctransport::FGChain class."""
1760 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1764 __init__(IMP::npctransport::FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0, std::string name) -> FGChain
1765 __init__(IMP::npctransport::FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0) -> FGChain
1766 __init__(IMP::npctransport::FGChain self, Particle root, double backbone_k=0.0) -> FGChain
1767 __init__(IMP::npctransport::FGChain self, Particle root) -> FGChain
1769 this = _IMP_npctransport.new_FGChain(*args)
1771 self.this.append(this)
1772 except __builtin__.Exception:
1776 """get_root(FGChain self) -> Hierarchy"""
1777 return _IMP_npctransport.FGChain_get_root(self)
1780 def get_beads(self):
1781 """get_beads(FGChain self) -> IMP::ParticlesTemp"""
1782 return _IMP_npctransport.FGChain_get_beads(self)
1785 def get_bead(self, i):
1786 """get_bead(FGChain self, unsigned int i) -> Particle"""
1787 return _IMP_npctransport.FGChain_get_bead(self, i)
1790 def get_bead_index(self, i):
1791 """get_bead_index(FGChain self, unsigned int i) -> ParticleIndex"""
1792 return _IMP_npctransport.FGChain_get_bead_index(self, i)
1795 def get_number_of_beads(self):
1796 """get_number_of_beads(FGChain self) -> unsigned int"""
1797 return _IMP_npctransport.FGChain_get_number_of_beads(self)
1800 def get_chain_restraints(self, scoring_manager):
1801 """get_chain_restraints(FGChain self, Scoring scoring_manager) -> IMP::Restraints"""
1802 return _IMP_npctransport.FGChain_get_chain_restraints(self, scoring_manager)
1805 def set_rest_length_factor(self, rlf):
1806 """set_rest_length_factor(FGChain self, double rlf)"""
1807 return _IMP_npctransport.FGChain_set_rest_length_factor(self, rlf)
1810 def set_backbone_k(self, k):
1811 """set_backbone_k(FGChain self, double k)"""
1812 return _IMP_npctransport.FGChain_set_backbone_k(self, k)
1815 def get_rest_length_factor(self):
1816 """get_rest_length_factor(FGChain self) -> double"""
1817 return _IMP_npctransport.FGChain_get_rest_length_factor(self)
1820 def get_backbone_k(self):
1821 """get_backbone_k(FGChain self) -> double"""
1822 return _IMP_npctransport.FGChain_get_backbone_k(self)
1825 def get_version_info(self):
1826 """get_version_info(FGChain self) -> VersionInfo"""
1827 return _IMP_npctransport.FGChain_get_version_info(self)
1831 """__str__(FGChain self) -> std::string"""
1832 return _IMP_npctransport.FGChain___str__(self)
1836 """__repr__(FGChain self) -> std::string"""
1837 return _IMP_npctransport.FGChain___repr__(self)
1842 return _object_cast_to_FGChain(o)
1844 FGChain_swigregister = _IMP_npctransport.FGChain_swigregister
1845 FGChain_swigregister(FGChain)
1849 """create_fg_chain(SimulationData sd, Hierarchy parent, ::npctransport_proto::Assignment_FGAssignment const & fg_data, Color c) -> FGChain"""
1850 return _IMP_npctransport.create_fg_chain(sd, parent, fg_data, c)
1854 get_fg_chain(Hierarchy root) -> FGChain
1855 get_fg_chain(Particle p_root) -> FGChain
1857 return _IMP_npctransport.get_fg_chain(*args)
1859 """Proxy of C++ IMP::npctransport::Scoring class."""
1861 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
1863 def __init__(self, owner_sd, data):
1864 """__init__(IMP::npctransport::Scoring self, SimulationData owner_sd, ::npctransport_proto::Assignment const & data) -> Scoring"""
1865 this = _IMP_npctransport.new_Scoring(owner_sd, data)
1867 self.this.append(this)
1868 except __builtin__.Exception:
1871 def get_scoring_function(self, force_update=False):
1873 get_scoring_function(Scoring self, bool force_update=False) -> ScoringFunction
1874 get_scoring_function(Scoring self) -> ScoringFunction
1876 return _IMP_npctransport.Scoring_get_scoring_function(self, force_update)
1879 def get_scoring_function_restraints(self, force_update=False):
1881 get_scoring_function_restraints(Scoring self, bool force_update=False) -> IMP::Restraints
1882 get_scoring_function_restraints(Scoring self) -> IMP::Restraints
1884 return _IMP_npctransport.Scoring_get_scoring_function_restraints(self, force_update)
1887 def get_custom_scoring_function(self, *args):
1889 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
1890 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, _SingletonContainerAdaptor non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> ScoringFunction
1891 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
1892 get_custom_scoring_function(Scoring self, IMP::RestraintsTemp const & extra_restraints, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> ScoringFunction
1894 return _IMP_npctransport.Scoring_get_custom_scoring_function(self, *args)
1897 def get_close_beads_container(self, update=False):
1899 get_close_beads_container(Scoring self, bool update=False) -> PairContainer
1900 get_close_beads_container(Scoring self) -> PairContainer
1902 return _IMP_npctransport.Scoring_get_close_beads_container(self, update)
1905 def get_predicates_pair_restraint(self, update=False):
1907 get_predicates_pair_restraint(Scoring self, bool update=False) -> PredicatePairsRestraint
1908 get_predicates_pair_restraint(Scoring self) -> PredicatePairsRestraint
1910 return _IMP_npctransport.Scoring_get_predicates_pair_restraint(self, update)
1913 def get_bounding_volume_restraint(self, update=False):
1915 get_bounding_volume_restraint(Scoring self, bool update=False) -> Restraint
1916 get_bounding_volume_restraint(Scoring self) -> Restraint
1918 return _IMP_npctransport.Scoring_get_bounding_volume_restraint(self, update)
1921 def get_slab_restraint(self, update=False):
1923 get_slab_restraint(Scoring self, bool update=False) -> Restraint
1924 get_slab_restraint(Scoring self) -> Restraint
1926 return _IMP_npctransport.Scoring_get_slab_restraint(self, update)
1929 def add_interaction(self, idata):
1930 """add_interaction(Scoring self, ::npctransport_proto::Assignment_InteractionAssignment const & idata)"""
1931 return _IMP_npctransport.Scoring_add_interaction(self, idata)
1934 def create_close_beads_container(self, *args):
1936 create_close_beads_container(Scoring self, _SingletonContainerAdaptor non_optimiziable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1937 create_close_beads_container(Scoring self, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1939 return _IMP_npctransport.Scoring_create_close_beads_container(self, *args)
1942 def create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on=True):
1944 create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs, bool is_attr_interactions_on=True) -> PredicatePairsRestraint
1945 create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs) -> PredicatePairsRestraint
1947 return _IMP_npctransport.Scoring_create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on)
1950 def create_bounding_volume_restraint(self, beads):
1951 """create_bounding_volume_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1952 return _IMP_npctransport.Scoring_create_bounding_volume_restraint(self, beads)
1955 def create_slab_restraint(self, beads):
1956 """create_slab_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1957 return _IMP_npctransport.Scoring_create_slab_restraint(self, beads)
1960 def get_model(self):
1961 """get_model(Scoring self) -> Model"""
1962 return _IMP_npctransport.Scoring_get_model(self)
1966 """get_sd(Scoring self) -> SimulationData"""
1967 return _IMP_npctransport.Scoring_get_sd(self)
1970 def get_has_bounding_box(self):
1971 """get_has_bounding_box(Scoring self) -> bool"""
1972 return _IMP_npctransport.Scoring_get_has_bounding_box(self)
1975 def get_has_bounding_sphere(self):
1976 """get_has_bounding_sphere(Scoring self) -> bool"""
1977 return _IMP_npctransport.Scoring_get_has_bounding_sphere(self)
1980 def get_has_bounding_volume(self):
1981 """get_has_bounding_volume(Scoring self) -> bool"""
1982 return _IMP_npctransport.Scoring_get_has_bounding_volume(self)
1985 def get_default_backbone_k(self):
1986 """get_default_backbone_k(Scoring self) -> double"""
1987 return _IMP_npctransport.Scoring_get_default_backbone_k(self)
1990 def get_is_backbone_harmonic(self):
1991 """get_is_backbone_harmonic(Scoring self) -> bool"""
1992 return _IMP_npctransport.Scoring_get_is_backbone_harmonic(self)
1995 def get_excluded_volume_k(self):
1996 """get_excluded_volume_k(Scoring self) -> double"""
1997 return _IMP_npctransport.Scoring_get_excluded_volume_k(self)
2000 def get_interaction_k(self):
2001 """get_interaction_k(Scoring self) -> double"""
2002 return _IMP_npctransport.Scoring_get_interaction_k(self)
2005 def get_predicate_pair_score(self, *args):
2007 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
2008 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
2010 return _IMP_npctransport.Scoring_get_predicate_pair_score(self, *args)
2013 def get_interaction_range_for(self, t1, t2, site_specific=True, non_specific=False):
2015 get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True, bool non_specific=False) -> double
2016 get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True) -> double
2017 get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2) -> double
2019 return _IMP_npctransport.Scoring_get_interaction_range_for(self, t1, t2, site_specific, non_specific)
2022 def get_ordered_type_pair_predicate(self):
2023 """get_ordered_type_pair_predicate(Scoring self) -> OrderedTypePairPredicate"""
2024 return _IMP_npctransport.Scoring_get_ordered_type_pair_predicate(self)
2027 def add_chain_restraints(self, chain):
2028 """add_chain_restraints(Scoring self, FGChain chain)"""
2029 return _IMP_npctransport.Scoring_add_chain_restraints(self, chain)
2032 def get_chain_restraints_on(self, beads):
2033 """get_chain_restraints_on(Scoring self, _SingletonContainerAdaptor beads) -> IMP::Restraints"""
2034 return _IMP_npctransport.Scoring_get_chain_restraints_on(self, beads)
2037 def get_all_chain_restraints(self):
2038 """get_all_chain_restraints(Scoring self) -> IMP::Restraints"""
2039 return _IMP_npctransport.Scoring_get_all_chain_restraints(self)
2042 def remove_particle_type(self, pt):
2043 """remove_particle_type(Scoring self, ParticleType pt)"""
2044 return _IMP_npctransport.Scoring_remove_particle_type(self, pt)
2047 def add_z_bias_restraint(self, *args):
2049 add_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k)
2050 add_z_bias_restraint(Scoring self, Particle p, double k)
2052 return _IMP_npctransport.Scoring_add_z_bias_restraint(self, *args)
2055 def get_z_bias_restraints(self):
2056 """get_z_bias_restraints(Scoring self) -> IMP::Restraints"""
2057 return _IMP_npctransport.Scoring_get_z_bias_restraints(self)
2060 def create_z_bias_restraint(self, ps, k):
2061 """create_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k) -> Restraint"""
2062 return _IMP_npctransport.Scoring_create_z_bias_restraint(self, ps, k)
2065 def add_custom_restraint(self, r):
2066 """add_custom_restraint(Scoring self, Restraint r)"""
2067 return _IMP_npctransport.Scoring_add_custom_restraint(self, r)
2070 def add_custom_restraints(self, R):
2071 """add_custom_restraints(Scoring self, IMP::Restraints R)"""
2072 return _IMP_npctransport.Scoring_add_custom_restraints(self, R)
2075 def clear_custom_restraints(self):
2076 """clear_custom_restraints(Scoring self)"""
2077 return _IMP_npctransport.Scoring_clear_custom_restraints(self)
2080 def get_custom_restraints(self):
2081 """get_custom_restraints(Scoring self) -> IMP::Restraints"""
2082 return _IMP_npctransport.Scoring_get_custom_restraints(self)
2085 def add_restrained_anchor_bead(self, p):
2086 """add_restrained_anchor_bead(Scoring self, Particle p)"""
2087 return _IMP_npctransport.Scoring_add_restrained_anchor_bead(self, p)
2090 def get_pore_radius_restraint(self):
2091 """get_pore_radius_restraint(Scoring self) -> Restraint"""
2092 return _IMP_npctransport.Scoring_get_pore_radius_restraint(self)
2095 def get_range(self):
2096 """get_range(Scoring self) -> double"""
2097 return _IMP_npctransport.Scoring_get_range(self)
2100 def set_interaction_range_factor(self, type, value):
2101 """set_interaction_range_factor(Scoring self, ParticleType type, double value)"""
2102 return _IMP_npctransport.Scoring_set_interaction_range_factor(self, type, value)
2105 def set_interaction_k_factor(self, type, value):
2106 """set_interaction_k_factor(Scoring self, ParticleType type, double value)"""
2107 return _IMP_npctransport.Scoring_set_interaction_k_factor(self, type, value)
2110 def get_version_info(self):
2111 """get_version_info(Scoring self) -> VersionInfo"""
2112 return _IMP_npctransport.Scoring_get_version_info(self)
2116 """__str__(Scoring self) -> std::string"""
2117 return _IMP_npctransport.Scoring___str__(self)
2121 """__repr__(Scoring self) -> std::string"""
2122 return _IMP_npctransport.Scoring___repr__(self)
2127 return _object_cast_to_Scoring(o)
2129 Scoring_swigregister = _IMP_npctransport.Scoring_swigregister
2130 Scoring_swigregister(Scoring)
2132 class timer(object):
2133 """Proxy of C++ boost::timer class."""
2135 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2136 __repr__ = _swig_repr
2139 """__init__(boost::timer self) -> timer"""
2140 this = _IMP_npctransport.new_timer()
2142 self.this.append(this)
2143 except __builtin__.Exception:
2145 __swig_destroy__ = _IMP_npctransport.delete_timer
2146 __del__ =
lambda self:
None
2147 timer_swigregister = _IMP_npctransport.timer_swigregister
2148 timer_swigregister(timer)
2151 """Proxy of C++ IMP::npctransport::Statistics class."""
2153 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2155 def remove_particle_type(self, pt):
2156 """remove_particle_type(Statistics self, ParticleType pt)"""
2157 return _IMP_npctransport.Statistics_remove_particle_type(self, pt)
2160 def __init__(self, sd, statistics_interval_frames, output_file_name):
2161 """__init__(IMP::npctransport::Statistics self, SimulationData sd, unsigned int statistics_interval_frames, std::string output_file_name) -> Statistics"""
2162 this = _IMP_npctransport.new_Statistics(sd, statistics_interval_frames, output_file_name)
2164 self.this.append(this)
2165 except __builtin__.Exception:
2168 def add_fg_chain_stats(self, fg_chain):
2169 """add_fg_chain_stats(Statistics self, FGChain fg_chain)"""
2170 return _IMP_npctransport.Statistics_add_fg_chain_stats(self, fg_chain)
2173 def add_floater_stats(self, p):
2174 """add_floater_stats(Statistics self, Particle p)"""
2175 return _IMP_npctransport.Statistics_add_floater_stats(self, p)
2178 def add_interaction_stats(self, type0, type1):
2179 """add_interaction_stats(Statistics self, ParticleType type0, ParticleType type1)"""
2180 return _IMP_npctransport.Statistics_add_interaction_stats(self, type0, type1)
2183 def add_optimizer_states(self, o=None):
2185 add_optimizer_states(Statistics self, Optimizer o=None) -> IMP::OptimizerStates
2186 add_optimizer_states(Statistics self) -> IMP::OptimizerStates
2188 return _IMP_npctransport.Statistics_add_optimizer_states(self, o)
2191 def update_particle_type_zr_distribution_map(self, p):
2192 """update_particle_type_zr_distribution_map(Statistics self, Particle p)"""
2193 return _IMP_npctransport.Statistics_update_particle_type_zr_distribution_map(self, p)
2196 def update_particle_type_xyz_distribution_map(self, p):
2197 """update_particle_type_xyz_distribution_map(Statistics self, Particle p)"""
2198 return _IMP_npctransport.Statistics_update_particle_type_xyz_distribution_map(self, p)
2201 def update(self, timer, nf_new=1):
2203 update(Statistics self, timer timer, unsigned int nf_new=1)
2204 update(Statistics self, timer timer)
2206 return _IMP_npctransport.Statistics_update(self, timer, nf_new)
2209 def reset_statistics_optimizer_states(self):
2210 """reset_statistics_optimizer_states(Statistics self)"""
2211 return _IMP_npctransport.Statistics_reset_statistics_optimizer_states(self)
2214 def set_interrupted(self, tf):
2215 """set_interrupted(Statistics self, bool tf)"""
2216 return _IMP_npctransport.Statistics_set_interrupted(self, tf)
2219 def get_model(self):
2220 """get_model(Statistics self) -> Model"""
2221 return _IMP_npctransport.Statistics_get_model(self)
2225 """get_sd(Statistics self) -> SimulationData"""
2226 return _IMP_npctransport.Statistics_get_sd(self)
2229 def get_is_activated(self):
2230 """get_is_activated(Statistics self) -> bool"""
2231 return _IMP_npctransport.Statistics_get_is_activated(self)
2234 def get_output_file_name(self):
2235 """get_output_file_name(Statistics self) -> std::string"""
2236 return _IMP_npctransport.Statistics_get_output_file_name(self)
2239 def get_version_info(self):
2240 """get_version_info(Statistics self) -> VersionInfo"""
2241 return _IMP_npctransport.Statistics_get_version_info(self)
2245 """__str__(Statistics self) -> std::string"""
2246 return _IMP_npctransport.Statistics___str__(self)
2250 """__repr__(Statistics self) -> std::string"""
2251 return _IMP_npctransport.Statistics___repr__(self)
2256 return _object_cast_to_Statistics(o)
2258 Statistics_swigregister = _IMP_npctransport.Statistics_swigregister
2259 Statistics_swigregister(Statistics)
2262 def create_boost_timer():
2263 """create_boost_timer() -> timer"""
2264 return _IMP_npctransport.create_boost_timer()
2265 IMPNPCTRANSPORT_VERSION = _IMP_npctransport.IMPNPCTRANSPORT_VERSION
2267 """Proxy of C++ IMP::npctransport::SimulationData class."""
2269 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2271 def get_output_npctransport_version(self):
2272 """get_output_npctransport_version(SimulationData self) -> double"""
2273 return _IMP_npctransport.SimulationData_get_output_npctransport_version(self)
2276 def get_range(self):
2277 """get_range(SimulationData self) -> double"""
2278 return _IMP_npctransport.SimulationData_get_range(self)
2281 def get_output_statistics_interval_frames(self):
2282 """get_output_statistics_interval_frames(SimulationData self) -> int"""
2283 return _IMP_npctransport.SimulationData_get_output_statistics_interval_frames(self)
2286 def get_is_exclude_floaters_from_slab_initially(self):
2287 """get_is_exclude_floaters_from_slab_initially(SimulationData self) -> bool"""
2288 return _IMP_npctransport.SimulationData_get_is_exclude_floaters_from_slab_initially(self)
2291 def get_are_floaters_on_one_slab_side(self):
2292 """get_are_floaters_on_one_slab_side(SimulationData self) -> bool"""
2293 return _IMP_npctransport.SimulationData_get_are_floaters_on_one_slab_side(self)
2296 def get_is_xyz_hist_stats(self):
2297 """get_is_xyz_hist_stats(SimulationData self) -> bool"""
2298 return _IMP_npctransport.SimulationData_get_is_xyz_hist_stats(self)
2301 def get_angular_d_factor(self):
2302 """get_angular_d_factor(SimulationData self) -> double"""
2303 return _IMP_npctransport.SimulationData_get_angular_d_factor(self)
2308 __init__(IMP::npctransport::SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name, std::string new_output_file) -> SimulationData
2309 __init__(IMP::npctransport::SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name) -> SimulationData
2310 __init__(IMP::npctransport::SimulationData self, std::string prev_output_file, bool quick) -> SimulationData
2312 this = _IMP_npctransport.new_SimulationData(*args)
2314 self.this.append(this)
2315 except __builtin__.Exception:
2318 def get_model(self):
2319 """get_model(SimulationData self) -> Model"""
2320 return _IMP_npctransport.SimulationData_get_model(self)
2323 def get_scoring(self):
2324 """get_scoring(SimulationData self) -> Scoring"""
2325 return _IMP_npctransport.SimulationData_get_scoring(self)
2328 def get_statistics(self):
2329 """get_statistics(SimulationData self) -> Statistics"""
2330 return _IMP_npctransport.SimulationData_get_statistics(self)
2333 def get_bd(self, recreate=False):
2335 get_bd(SimulationData self, bool recreate=False) -> BrownianDynamics
2336 get_bd(SimulationData self) -> BrownianDynamics
2338 return _IMP_npctransport.SimulationData_get_bd(self, recreate)
2341 def activate_statistics(self):
2342 """activate_statistics(SimulationData self)"""
2343 return _IMP_npctransport.SimulationData_activate_statistics(self)
2346 def get_statistics_fraction(self):
2347 """get_statistics_fraction(SimulationData self) -> double"""
2348 return _IMP_npctransport.SimulationData_get_statistics_fraction(self)
2351 def get_is_fg_bead(self, *args):
2353 get_is_fg_bead(SimulationData self, ParticleIndex pi) -> bool
2354 get_is_fg_bead(SimulationData self, ParticleType pt) -> bool
2356 return _IMP_npctransport.SimulationData_get_is_fg_bead(self, *args)
2359 def get_is_fg_chain(self, *args):
2361 get_is_fg_chain(SimulationData self, ParticleIndex pi) -> bool
2362 get_is_fg_chain(SimulationData self, ParticleType pt) -> bool
2364 return _IMP_npctransport.SimulationData_get_is_fg_chain(self, *args)
2367 def get_fg_bead_types(self):
2368 """get_fg_bead_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2369 return _IMP_npctransport.SimulationData_get_fg_bead_types(self)
2372 def get_fg_chain_types(self):
2373 """get_fg_chain_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2374 return _IMP_npctransport.SimulationData_get_fg_chain_types(self)
2377 def get_floater_types(self):
2378 """get_floater_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2379 return _IMP_npctransport.SimulationData_get_floater_types(self)
2382 def get_obstacle_types(self):
2383 """get_obstacle_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2384 return _IMP_npctransport.SimulationData_get_obstacle_types(self)
2387 def get_fg_chain_roots(self):
2388 """get_fg_chain_roots(SimulationData self) -> IMP::atom::Hierarchies"""
2389 return _IMP_npctransport.SimulationData_get_fg_chain_roots(self)
2392 def get_fg_chains(self):
2393 """get_fg_chains(SimulationData self) -> IMP::atom::Hierarchies"""
2394 return _IMP_npctransport.SimulationData_get_fg_chains(self)
2397 def get_obstacle_particles(self):
2398 """get_obstacle_particles(SimulationData self) -> IMP::ParticlesTemp"""
2399 return _IMP_npctransport.SimulationData_get_obstacle_particles(self)
2402 def get_beads(self):
2403 """get_beads(SimulationData self) -> IMP::ParticlesTemp"""
2404 return _IMP_npctransport.SimulationData_get_beads(self)
2407 def get_optimizable_beads(self):
2408 """get_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2409 return _IMP_npctransport.SimulationData_get_optimizable_beads(self)
2412 def get_non_optimizable_beads(self):
2413 """get_non_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2414 return _IMP_npctransport.SimulationData_get_non_optimizable_beads(self)
2417 def get_is_backbone_harmonic(self):
2418 """get_is_backbone_harmonic(SimulationData self) -> bool"""
2419 return _IMP_npctransport.SimulationData_get_is_backbone_harmonic(self)
2422 def get_backbone_tau_ns(self):
2423 """get_backbone_tau_ns(SimulationData self) -> double"""
2424 return _IMP_npctransport.SimulationData_get_backbone_tau_ns(self)
2427 def get_temperature_k(self):
2428 """get_temperature_k(SimulationData self) -> double"""
2429 return _IMP_npctransport.SimulationData_get_temperature_k(self)
2432 def get_initial_simulation_time_ns(self):
2433 """get_initial_simulation_time_ns(SimulationData self) -> double"""
2434 return _IMP_npctransport.SimulationData_get_initial_simulation_time_ns(self)
2437 def get_site_centers(self, t0):
2438 """get_site_centers(SimulationData self, ParticleType t0) -> IMP::algebra::Vector3Ds"""
2439 return _IMP_npctransport.SimulationData_get_site_centers(self, t0)
2442 def get_sites(self, t0):
2443 """get_sites(SimulationData self, ParticleType t0) -> IMP::algebra::Sphere3Ds"""
2444 return _IMP_npctransport.SimulationData_get_sites(self, t0)
2447 def set_sites(self, *args):
2449 set_sites(SimulationData self, ParticleType t0, int n, double r, double sr)
2450 set_sites(SimulationData self, ParticleType t0, IMP::algebra::Sphere3Ds const & sites)
2452 return _IMP_npctransport.SimulationData_set_sites(self, *args)
2455 def get_site_display_radius(self, arg2):
2456 """get_site_display_radius(SimulationData self, ParticleType arg2) -> double"""
2457 return _IMP_npctransport.SimulationData_get_site_display_radius(self, arg2)
2460 def get_maximum_number_of_minutes(self):
2461 """get_maximum_number_of_minutes(SimulationData self) -> double"""
2462 return _IMP_npctransport.SimulationData_get_maximum_number_of_minutes(self)
2465 def remove_particle_type(self, pt):
2466 """remove_particle_type(SimulationData self, ParticleType pt)"""
2467 return _IMP_npctransport.SimulationData_remove_particle_type(self, pt)
2470 def remove_fgs_with_prefix(self, s_fg_type):
2471 """remove_fgs_with_prefix(SimulationData self, std::string s_fg_type)"""
2472 return _IMP_npctransport.SimulationData_remove_fgs_with_prefix(self, s_fg_type)
2475 def get_bounding_box(self):
2476 """get_bounding_box(SimulationData self) -> BoundingBox3D"""
2477 return _IMP_npctransport.SimulationData_get_bounding_box(self)
2480 def get_bounding_sphere(self):
2481 """get_bounding_sphere(SimulationData self) -> Sphere3D"""
2482 return _IMP_npctransport.SimulationData_get_bounding_sphere(self)
2485 def get_bounding_box_size(self):
2486 """get_bounding_box_size(SimulationData self) -> double"""
2487 return _IMP_npctransport.SimulationData_get_bounding_box_size(self)
2490 def set_bounding_box_size(self, box_size):
2491 """set_bounding_box_size(SimulationData self, double box_size)"""
2492 return _IMP_npctransport.SimulationData_set_bounding_box_size(self, box_size)
2495 def get_bounding_sphere_radius(self):
2496 """get_bounding_sphere_radius(SimulationData self) -> double"""
2497 return _IMP_npctransport.SimulationData_get_bounding_sphere_radius(self)
2500 def set_bounding_sphere_radius(self, sphere_radius):
2501 """set_bounding_sphere_radius(SimulationData self, double sphere_radius)"""
2502 return _IMP_npctransport.SimulationData_set_bounding_sphere_radius(self, sphere_radius)
2505 def get_bounding_volume(self):
2506 """get_bounding_volume(SimulationData self) -> double"""
2507 return _IMP_npctransport.SimulationData_get_bounding_volume(self)
2510 def set_bounding_volume(self, volume_A3):
2511 """set_bounding_volume(SimulationData self, double volume_A3)"""
2512 return _IMP_npctransport.SimulationData_set_bounding_volume(self, volume_A3)
2515 def get_has_slab(self):
2516 """get_has_slab(SimulationData self) -> bool"""
2517 return _IMP_npctransport.SimulationData_get_has_slab(self)
2520 def get_is_slab_with_cylindrical_pore(self):
2521 """get_is_slab_with_cylindrical_pore(SimulationData self) -> bool"""
2522 return _IMP_npctransport.SimulationData_get_is_slab_with_cylindrical_pore(self)
2525 def get_is_slab_with_toroidal_pore(self):
2526 """get_is_slab_with_toroidal_pore(SimulationData self) -> bool"""
2527 return _IMP_npctransport.SimulationData_get_is_slab_with_toroidal_pore(self)
2530 def get_slab_particle(self):
2531 """get_slab_particle(SimulationData self) -> Particle"""
2532 return _IMP_npctransport.SimulationData_get_slab_particle(self)
2535 def get_cylinder(self):
2536 """get_cylinder(SimulationData self) -> Cylinder3D"""
2537 return _IMP_npctransport.SimulationData_get_cylinder(self)
2540 def get_has_bounding_box(self):
2541 """get_has_bounding_box(SimulationData self) -> bool"""
2542 return _IMP_npctransport.SimulationData_get_has_bounding_box(self)
2545 def get_has_bounding_sphere(self):
2546 """get_has_bounding_sphere(SimulationData self) -> bool"""
2547 return _IMP_npctransport.SimulationData_get_has_bounding_sphere(self)
2550 def get_has_bounding_volume(self):
2551 """get_has_bounding_volume(SimulationData self) -> bool"""
2552 return _IMP_npctransport.SimulationData_get_has_bounding_volume(self)
2555 def initialize_positions_from_rmf(self, fh, frame_number=-1):
2557 initialize_positions_from_rmf(SimulationData self, FileConstHandle fh, int frame_number=-1)
2558 initialize_positions_from_rmf(SimulationData self, FileConstHandle fh)
2560 return _IMP_npctransport.SimulationData_initialize_positions_from_rmf(self, fh, frame_number)
2563 def link_rmf_file_handle(self, fh, is_restraints=True):
2565 link_rmf_file_handle(SimulationData self, FileHandle fh, bool is_restraints=True)
2566 link_rmf_file_handle(SimulationData self, FileHandle fh)
2568 return _IMP_npctransport.SimulationData_link_rmf_file_handle(self, fh, is_restraints)
2571 def get_rmf_sos_writer(self):
2572 """get_rmf_sos_writer(SimulationData self) -> SaveOptimizerState"""
2573 return _IMP_npctransport.SimulationData_get_rmf_sos_writer(self)
2576 def reset_rmf(self):
2577 """reset_rmf(SimulationData self)"""
2578 return _IMP_npctransport.SimulationData_reset_rmf(self)
2581 def switch_suspend_rmf(self, suspend):
2582 """switch_suspend_rmf(SimulationData self, bool suspend)"""
2583 return _IMP_npctransport.SimulationData_switch_suspend_rmf(self, suspend)
2586 def write_geometry(self, out):
2587 """write_geometry(SimulationData self, std::string out)"""
2588 return _IMP_npctransport.SimulationData_write_geometry(self, out)
2591 def dump_geometry(self):
2592 """dump_geometry(SimulationData self)"""
2593 return _IMP_npctransport.SimulationData_dump_geometry(self)
2596 def get_root_of_type(self, type):
2597 """get_root_of_type(SimulationData self, ParticleType type) -> Hierarchy"""
2598 return _IMP_npctransport.SimulationData_get_root_of_type(self, type)
2602 """get_number_of_frames(SimulationData self) -> unsigned int"""
2603 return _IMP_npctransport.SimulationData_get_number_of_frames(self)
2606 def get_number_of_trials(self):
2607 """get_number_of_trials(SimulationData self) -> unsigned int"""
2608 return _IMP_npctransport.SimulationData_get_number_of_trials(self)
2612 """get_root(SimulationData self) -> Hierarchy"""
2613 return _IMP_npctransport.SimulationData_get_root(self)
2616 def get_slab_thickness(self):
2617 """get_slab_thickness(SimulationData self) -> double"""
2618 return _IMP_npctransport.SimulationData_get_slab_thickness(self)
2621 def get_tunnel_radius(self):
2622 """get_tunnel_radius(SimulationData self) -> double"""
2623 return _IMP_npctransport.SimulationData_get_tunnel_radius(self)
2626 def get_pore_radius(self):
2627 """get_pore_radius(SimulationData self) -> double"""
2628 return _IMP_npctransport.SimulationData_get_pore_radius(self)
2631 def get_tunnel_radius_k(self):
2632 """get_tunnel_radius_k(SimulationData self) -> double"""
2633 return _IMP_npctransport.SimulationData_get_tunnel_radius_k(self)
2636 def get_pore_radius_k(self):
2637 """get_pore_radius_k(SimulationData self) -> double"""
2638 return _IMP_npctransport.SimulationData_get_pore_radius_k(self)
2641 def get_is_pore_radius_dynamic(self):
2642 """get_is_pore_radius_dynamic(SimulationData self) -> bool"""
2643 return _IMP_npctransport.SimulationData_get_is_pore_radius_dynamic(self)
2646 def get_pore_anchored_beads_k(self):
2647 """get_pore_anchored_beads_k(SimulationData self) -> double"""
2648 return _IMP_npctransport.SimulationData_get_pore_anchored_beads_k(self)
2651 def get_static_geometry(self):
2652 """get_static_geometry(SimulationData self) -> Geometry"""
2653 return _IMP_npctransport.SimulationData_get_static_geometry(self)
2656 def get_rmf_dump_interval_frames(self):
2657 """get_rmf_dump_interval_frames(SimulationData self) -> int"""
2658 return _IMP_npctransport.SimulationData_get_rmf_dump_interval_frames(self)
2661 def get_rmf_file_name(self):
2662 """get_rmf_file_name(SimulationData self) -> std::string"""
2663 return _IMP_npctransport.SimulationData_get_rmf_file_name(self)
2666 def set_rmf_file(self, new_name, is_save_restraints_to_rmf=True, is_force_restart=False):
2668 set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True, bool is_force_restart=False)
2669 set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True)
2670 set_rmf_file(SimulationData self, std::string const & new_name)
2672 return _IMP_npctransport.SimulationData_set_rmf_file(self, new_name, is_save_restraints_to_rmf, is_force_restart)
2675 def get_version_info(self):
2676 """get_version_info(SimulationData self) -> VersionInfo"""
2677 return _IMP_npctransport.SimulationData_get_version_info(self)
2681 """__str__(SimulationData self) -> std::string"""
2682 return _IMP_npctransport.SimulationData___str__(self)
2686 """__repr__(SimulationData self) -> std::string"""
2687 return _IMP_npctransport.SimulationData___repr__(self)
2692 return _object_cast_to_SimulationData(o)
2694 SimulationData_swigregister = _IMP_npctransport.SimulationData_swigregister
2695 SimulationData_swigregister(SimulationData)
2698 def get_simulation_data_key():
2699 """get_simulation_data_key() -> IMP::WeakObjectKey"""
2700 return _IMP_npctransport.get_simulation_data_key()
2702 def write_geometry(kaps, kap_sites, chains, chain_sites, rs, out):
2703 """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)"""
2704 return _IMP_npctransport.write_geometry(kaps, kap_sites, chains, chain_sites, rs, out)
2706 """Proxy of C++ IMP::npctransport::ParticleFactory class."""
2708 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2709 sd_ = _swig_property(_IMP_npctransport.ParticleFactory_sd__get, _IMP_npctransport.ParticleFactory_sd__set)
2710 radius_ = _swig_property(_IMP_npctransport.ParticleFactory_radius__get, _IMP_npctransport.ParticleFactory_radius__set)
2711 D_factor_ = _swig_property(_IMP_npctransport.ParticleFactory_D_factor__get, _IMP_npctransport.ParticleFactory_D_factor__set)
2712 angular_D_factor_ = _swig_property(_IMP_npctransport.ParticleFactory_angular_D_factor__get, _IMP_npctransport.ParticleFactory_angular_D_factor__set)
2713 color_ = _swig_property(_IMP_npctransport.ParticleFactory_color__get, _IMP_npctransport.ParticleFactory_color__set)
2714 type_ = _swig_property(_IMP_npctransport.ParticleFactory_type__get, _IMP_npctransport.ParticleFactory_type__set)
2718 __init__(IMP::npctransport::ParticleFactory self, SimulationData sd, double radius, double D_factor, double angular_D_factor, Color color, ParticleType type, std::string name) -> ParticleFactory
2719 __init__(IMP::npctransport::ParticleFactory self, SimulationData sd, double radius, double D_factor, double angular_D_factor, Color color, ParticleType type) -> ParticleFactory
2721 this = _IMP_npctransport.new_ParticleFactory(*args)
2723 self.this.append(this)
2724 except __builtin__.Exception:
2727 def create(self, *args):
2729 create(ParticleFactory self, std::string name) -> Particle
2730 create(ParticleFactory self) -> Particle
2732 return _IMP_npctransport.ParticleFactory_create(self, *args)
2735 def get_model(self):
2736 """get_model(ParticleFactory self) -> Model"""
2737 return _IMP_npctransport.ParticleFactory_get_model(self)
2740 def get_simulation_data(self):
2741 """get_simulation_data(ParticleFactory self) -> SimulationData"""
2742 return _IMP_npctransport.ParticleFactory_get_simulation_data(self)
2745 def get_radius(self):
2746 """get_radius(ParticleFactory self) -> double"""
2747 return _IMP_npctransport.ParticleFactory_get_radius(self)
2750 def get_version_info(self):
2751 """get_version_info(ParticleFactory self) -> VersionInfo"""
2752 return _IMP_npctransport.ParticleFactory_get_version_info(self)
2756 """__str__(ParticleFactory self) -> std::string"""
2757 return _IMP_npctransport.ParticleFactory___str__(self)
2761 """__repr__(ParticleFactory self) -> std::string"""
2762 return _IMP_npctransport.ParticleFactory___repr__(self)
2767 return _object_cast_to_ParticleFactory(o)
2769 ParticleFactory_swigregister = _IMP_npctransport.ParticleFactory_swigregister
2770 ParticleFactory_swigregister(ParticleFactory)
2773 """Proxy of C++ IMP::npctransport::HierarchyWithSitesLoadLink class."""
2775 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2778 """__init__(IMP::npctransport::HierarchyWithSitesLoadLink self, FileConstHandle fh) -> HierarchyWithSitesLoadLink"""
2779 this = _IMP_npctransport.new_HierarchyWithSitesLoadLink(fh)
2781 self.this.append(this)
2782 except __builtin__.Exception:
2786 """get_name() -> char const *"""
2787 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2789 get_name = staticmethod(get_name)
2792 """__str__(HierarchyWithSitesLoadLink self) -> std::string"""
2793 return _IMP_npctransport.HierarchyWithSitesLoadLink___str__(self)
2797 """__repr__(HierarchyWithSitesLoadLink self) -> std::string"""
2798 return _IMP_npctransport.HierarchyWithSitesLoadLink___repr__(self)
2803 return _object_cast_to_HierarchyWithSitesLoadLink(o)
2805 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesLoadLink
2806 __del__ =
lambda self:
None
2807 HierarchyWithSitesLoadLink_swigregister = _IMP_npctransport.HierarchyWithSitesLoadLink_swigregister
2808 HierarchyWithSitesLoadLink_swigregister(HierarchyWithSitesLoadLink)
2810 def HierarchyWithSitesLoadLink_get_name():
2811 """HierarchyWithSitesLoadLink_get_name() -> char const *"""
2812 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2815 """Proxy of C++ IMP::npctransport::HierarchyWithSitesSaveLink class."""
2817 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2820 """__init__(IMP::npctransport::HierarchyWithSitesSaveLink self, FileHandle fh) -> HierarchyWithSitesSaveLink"""
2821 this = _IMP_npctransport.new_HierarchyWithSitesSaveLink(fh)
2823 self.this.append(this)
2824 except __builtin__.Exception:
2828 """get_name() -> char const *"""
2829 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2831 get_name = staticmethod(get_name)
2834 """__str__(HierarchyWithSitesSaveLink self) -> std::string"""
2835 return _IMP_npctransport.HierarchyWithSitesSaveLink___str__(self)
2839 """__repr__(HierarchyWithSitesSaveLink self) -> std::string"""
2840 return _IMP_npctransport.HierarchyWithSitesSaveLink___repr__(self)
2845 return _object_cast_to_HierarchyWithSitesSaveLink(o)
2847 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesSaveLink
2848 __del__ =
lambda self:
None
2849 HierarchyWithSitesSaveLink_swigregister = _IMP_npctransport.HierarchyWithSitesSaveLink_swigregister
2850 HierarchyWithSitesSaveLink_swigregister(HierarchyWithSitesSaveLink)
2852 def HierarchyWithSitesSaveLink_get_name():
2853 """HierarchyWithSitesSaveLink_get_name() -> char const *"""
2854 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2859 add_test_sites(FileHandle fh, ParticleType t, double display_radius, IMP::algebra::Vector3Ds sites)
2860 add_test_sites(FileHandle fh, ParticleType t, IMP::algebra::Sphere3Ds sites)
2862 return _IMP_npctransport.add_test_sites(*args)
2866 add_hierarchies_with_sites(FileHandle fh, IMP::atom::Hierarchies const & hs)
2867 add_hierarchies_with_sites(NodeHandle fh, IMP::atom::Hierarchies const & hs)
2869 return _IMP_npctransport.add_hierarchies_with_sites(*args)
2872 """add_hierarchy_with_sites(FileHandle fh, Hierarchy hs)"""
2873 return _IMP_npctransport.add_hierarchy_with_sites(fh, hs)
2876 """create_hierarchies_with_sites(FileConstHandle fh, Model m) -> IMP::atom::Hierarchies"""
2877 return _IMP_npctransport.create_hierarchies_with_sites(fh, m)
2880 """link_hierarchies_with_sites(FileConstHandle fh, IMP::atom::Hierarchies const & hs)"""
2881 return _IMP_npctransport.link_hierarchies_with_sites(fh, hs)
2883 """Proxy of C++ IMP::npctransport::Transporting class."""
2885 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
2889 __init__(IMP::npctransport::Transporting self) -> Transporting
2890 __init__(IMP::npctransport::Transporting self, Model m, ParticleIndex id) -> Transporting
2891 __init__(IMP::npctransport::Transporting self, _ParticleAdaptor d) -> Transporting
2893 this = _IMP_npctransport.new_Transporting(*args)
2895 self.this.append(this)
2896 except __builtin__.Exception:
2899 def show(self, *args):
2901 show(Transporting self, _ostream out)
2902 show(Transporting self)
2904 return _IMP_npctransport.Transporting_show(self, *args)
2907 def setup_particle(*args):
2909 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
2910 setup_particle(Model m, ParticleIndex pi) -> Transporting
2911 setup_particle(_ParticleAdaptor decorator, bool is_last_entry_from_top=False) -> Transporting
2912 setup_particle(_ParticleAdaptor decorator) -> Transporting
2914 return _IMP_npctransport.Transporting_setup_particle(*args)
2916 setup_particle = staticmethod(setup_particle)
2918 def get_is_setup(*args):
2920 get_is_setup(_ParticleAdaptor p) -> bool
2921 get_is_setup(Model m, ParticleIndex pi) -> bool
2923 return _IMP_npctransport.Transporting_get_is_setup(*args)
2925 get_is_setup = staticmethod(get_is_setup)
2927 def set_is_last_entry_from_top(self, is_last_entry_from_top):
2928 """set_is_last_entry_from_top(Transporting self, bool is_last_entry_from_top)"""
2929 return _IMP_npctransport.Transporting_set_is_last_entry_from_top(self, is_last_entry_from_top)
2932 def get_is_last_entry_from_top(self):
2933 """get_is_last_entry_from_top(Transporting self) -> bool"""
2934 return _IMP_npctransport.Transporting_get_is_last_entry_from_top(self)
2937 def get_is_last_entry_from_top_key():
2938 """get_is_last_entry_from_top_key() -> IntKey"""
2939 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
2941 get_is_last_entry_from_top_key = staticmethod(get_is_last_entry_from_top_key)
2943 def set_last_tracked_z(self, last_tracked_z):
2944 """set_last_tracked_z(Transporting self, double last_tracked_z)"""
2945 return _IMP_npctransport.Transporting_set_last_tracked_z(self, last_tracked_z)
2948 def get_last_tracked_z(self):
2949 """get_last_tracked_z(Transporting self) -> double"""
2950 return _IMP_npctransport.Transporting_get_last_tracked_z(self)
2953 def get_last_tracked_z_key():
2954 """get_last_tracked_z_key() -> FloatKey"""
2955 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
2957 get_last_tracked_z_key = staticmethod(get_last_tracked_z_key)
2959 def set_n_entries_bottom(self, n):
2960 """set_n_entries_bottom(Transporting self, int n)"""
2961 return _IMP_npctransport.Transporting_set_n_entries_bottom(self, n)
2964 def get_n_entries_bottom(self):
2965 """get_n_entries_bottom(Transporting self) -> int"""
2966 return _IMP_npctransport.Transporting_get_n_entries_bottom(self)
2969 def get_n_entries_bottom_key():
2970 """get_n_entries_bottom_key() -> IntKey"""
2971 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
2973 get_n_entries_bottom_key = staticmethod(get_n_entries_bottom_key)
2975 def set_n_entries_top(self, n):
2976 """set_n_entries_top(Transporting self, int n)"""
2977 return _IMP_npctransport.Transporting_set_n_entries_top(self, n)
2980 def get_n_entries_top(self):
2981 """get_n_entries_top(Transporting self) -> int"""
2982 return _IMP_npctransport.Transporting_get_n_entries_top(self)
2985 def get_n_entries_top_key():
2986 """get_n_entries_top_key() -> IntKey"""
2987 return _IMP_npctransport.Transporting_get_n_entries_top_key()
2989 get_n_entries_top_key = staticmethod(get_n_entries_top_key)
2991 def add_attribute(self, *args):
2993 add_attribute(Transporting self, FloatKey k, IMP::Float v, bool opt)
2994 add_attribute(Transporting self, FloatKey a0, IMP::Float a1)
2995 add_attribute(Transporting self, IntKey a0, IMP::Int a1)
2996 add_attribute(Transporting self, StringKey a0, IMP::String a1)
2997 add_attribute(Transporting self, ParticleIndexKey a0, Particle a1)
2998 add_attribute(Transporting self, ObjectKey a0, Object a1)
3000 return _IMP_npctransport.Transporting_add_attribute(self, *args)
3003 def get_value(self, *args):
3005 get_value(Transporting self, FloatKey a0) -> IMP::Float
3006 get_value(Transporting self, IntKey a0) -> IMP::Int
3007 get_value(Transporting self, StringKey a0) -> IMP::String
3008 get_value(Transporting self, ParticleIndexKey a0) -> Particle
3009 get_value(Transporting self, ObjectKey a0) -> Object
3011 return _IMP_npctransport.Transporting_get_value(self, *args)
3014 def set_value(self, *args):
3016 set_value(Transporting self, FloatKey a0, IMP::Float a1)
3017 set_value(Transporting self, IntKey a0, IMP::Int a1)
3018 set_value(Transporting self, StringKey a0, IMP::String a1)
3019 set_value(Transporting self, ParticleIndexKey a0, Particle a1)
3020 set_value(Transporting self, ObjectKey a0, Object a1)
3022 return _IMP_npctransport.Transporting_set_value(self, *args)
3025 def remove_attribute(self, *args):
3027 remove_attribute(Transporting self, FloatKey a0)
3028 remove_attribute(Transporting self, IntKey a0)
3029 remove_attribute(Transporting self, StringKey a0)
3030 remove_attribute(Transporting self, ParticleIndexKey a0)
3031 remove_attribute(Transporting self, ObjectKey a0)
3033 return _IMP_npctransport.Transporting_remove_attribute(self, *args)
3036 def has_attribute(self, *args):
3038 has_attribute(Transporting self, FloatKey a0) -> bool
3039 has_attribute(Transporting self, IntKey a0) -> bool
3040 has_attribute(Transporting self, StringKey a0) -> bool
3041 has_attribute(Transporting self, ParticleIndexKey a0) -> bool
3042 has_attribute(Transporting self, ObjectKey a0) -> bool
3044 return _IMP_npctransport.Transporting_has_attribute(self, *args)
3047 def get_derivative(self, a0):
3048 """get_derivative(Transporting self, FloatKey a0) -> double"""
3049 return _IMP_npctransport.Transporting_get_derivative(self, a0)
3053 """get_name(Transporting self) -> std::string"""
3054 return _IMP_npctransport.Transporting_get_name(self)
3057 def clear_caches(self):
3058 """clear_caches(Transporting self)"""
3059 return _IMP_npctransport.Transporting_clear_caches(self)
3062 def set_name(self, a0):
3063 """set_name(Transporting self, std::string a0)"""
3064 return _IMP_npctransport.Transporting_set_name(self, a0)
3068 """set_check_level(Transporting self, IMP::CheckLevel a0)"""
3069 return _IMP_npctransport.Transporting_set_check_level(self, a0)
3072 def add_to_derivative(self, a0, a1, a2):
3073 """add_to_derivative(Transporting self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3074 return _IMP_npctransport.Transporting_add_to_derivative(self, a0, a1, a2)
3077 def set_is_optimized(self, a0, a1):
3078 """set_is_optimized(Transporting self, FloatKey a0, bool a1)"""
3079 return _IMP_npctransport.Transporting_set_is_optimized(self, a0, a1)
3082 def get_is_optimized(self, a0):
3083 """get_is_optimized(Transporting self, FloatKey a0) -> bool"""
3084 return _IMP_npctransport.Transporting_get_is_optimized(self, a0)
3088 """get_check_level(Transporting self) -> IMP::CheckLevel"""
3089 return _IMP_npctransport.Transporting_get_check_level(self)
3092 def __eq__(self, *args):
3094 __eq__(Transporting self, Transporting o) -> bool
3095 __eq__(Transporting self, Particle d) -> bool
3097 return _IMP_npctransport.Transporting___eq__(self, *args)
3100 def __ne__(self, *args):
3102 __ne__(Transporting self, Transporting o) -> bool
3103 __ne__(Transporting self, Particle d) -> bool
3105 return _IMP_npctransport.Transporting___ne__(self, *args)
3108 def __le__(self, *args):
3110 __le__(Transporting self, Transporting o) -> bool
3111 __le__(Transporting self, Particle d) -> bool
3113 return _IMP_npctransport.Transporting___le__(self, *args)
3116 def __lt__(self, *args):
3118 __lt__(Transporting self, Transporting o) -> bool
3119 __lt__(Transporting self, Particle d) -> bool
3121 return _IMP_npctransport.Transporting___lt__(self, *args)
3124 def __ge__(self, *args):
3126 __ge__(Transporting self, Transporting o) -> bool
3127 __ge__(Transporting self, Particle d) -> bool
3129 return _IMP_npctransport.Transporting___ge__(self, *args)
3132 def __gt__(self, *args):
3134 __gt__(Transporting self, Transporting o) -> bool
3135 __gt__(Transporting self, Particle d) -> bool
3137 return _IMP_npctransport.Transporting___gt__(self, *args)
3141 """__hash__(Transporting self) -> std::size_t"""
3142 return _IMP_npctransport.Transporting___hash__(self)
3146 """__str__(Transporting self) -> std::string"""
3147 return _IMP_npctransport.Transporting___str__(self)
3151 """__repr__(Transporting self) -> std::string"""
3152 return _IMP_npctransport.Transporting___repr__(self)
3154 __swig_destroy__ = _IMP_npctransport.delete_Transporting
3155 __del__ =
lambda self:
None
3156 Transporting_swigregister = _IMP_npctransport.Transporting_swigregister
3157 Transporting_swigregister(Transporting)
3159 def Transporting_setup_particle(*args):
3161 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
3162 setup_particle(Model m, ParticleIndex pi) -> Transporting
3163 setup_particle(_ParticleAdaptor decorator, bool is_last_entry_from_top=False) -> Transporting
3164 Transporting_setup_particle(_ParticleAdaptor decorator) -> Transporting
3166 return _IMP_npctransport.Transporting_setup_particle(*args)
3168 def Transporting_get_is_setup(*args):
3170 get_is_setup(_ParticleAdaptor p) -> bool
3171 Transporting_get_is_setup(Model m, ParticleIndex pi) -> bool
3173 return _IMP_npctransport.Transporting_get_is_setup(*args)
3175 def Transporting_get_is_last_entry_from_top_key():
3176 """Transporting_get_is_last_entry_from_top_key() -> IntKey"""
3177 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
3179 def Transporting_get_last_tracked_z_key():
3180 """Transporting_get_last_tracked_z_key() -> FloatKey"""
3181 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
3183 def Transporting_get_n_entries_bottom_key():
3184 """Transporting_get_n_entries_bottom_key() -> IntKey"""
3185 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
3187 def Transporting_get_n_entries_top_key():
3188 """Transporting_get_n_entries_top_key() -> IntKey"""
3189 return _IMP_npctransport.Transporting_get_n_entries_top_key()
3192 def show_ranges(fname):
3193 """show_ranges(std::string fname)"""
3194 return _IMP_npctransport.show_ranges(fname)
3196 def assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed):
3197 """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"""
3198 return _IMP_npctransport.assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed)
3200 def get_number_of_work_units(configuration_file):
3201 """get_number_of_work_units(std::string configuration_file) -> int"""
3202 return _IMP_npctransport.get_number_of_work_units(configuration_file)
3204 """Proxy of C++ IMP::npctransport::SlabWithPore class."""
3206 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3210 __init__(IMP::npctransport::SlabWithPore self) -> SlabWithPore
3211 __init__(IMP::npctransport::SlabWithPore self, Model m, ParticleIndex id) -> SlabWithPore
3212 __init__(IMP::npctransport::SlabWithPore self, _ParticleAdaptor d) -> SlabWithPore
3214 this = _IMP_npctransport.new_SlabWithPore(*args)
3216 self.this.append(this)
3217 except __builtin__.Exception:
3220 def show(self, *args):
3222 show(SlabWithPore self, _ostream out)
3223 show(SlabWithPore self)
3225 return _IMP_npctransport.SlabWithPore_show(self, *args)
3228 def setup_particle(*args):
3230 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
3231 setup_particle(_ParticleAdaptor decorator, double thickness, double pore_radius) -> SlabWithPore
3233 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
3235 setup_particle = staticmethod(setup_particle)
3237 def get_is_setup(*args):
3239 get_is_setup(_ParticleAdaptor p) -> bool
3240 get_is_setup(Model m, ParticleIndex pi) -> bool
3242 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
3244 get_is_setup = staticmethod(get_is_setup)
3246 def set_thickness(self, thickness):
3247 """set_thickness(SlabWithPore self, double thickness)"""
3248 return _IMP_npctransport.SlabWithPore_set_thickness(self, thickness)
3251 def get_thickness(self):
3252 """get_thickness(SlabWithPore self) -> IMP::Float"""
3253 return _IMP_npctransport.SlabWithPore_get_thickness(self)
3256 def get_pore_radius(self):
3257 """get_pore_radius(SlabWithPore self) -> IMP::Float"""
3258 return _IMP_npctransport.SlabWithPore_get_pore_radius(self)
3261 def set_pore_radius(self, r):
3262 """set_pore_radius(SlabWithPore self, double r)"""
3263 return _IMP_npctransport.SlabWithPore_set_pore_radius(self, r)
3266 def add_to_pore_radius_derivative(self, v, d):
3267 """add_to_pore_radius_derivative(SlabWithPore self, double v, DerivativeAccumulator d)"""
3268 return _IMP_npctransport.SlabWithPore_add_to_pore_radius_derivative(self, v, d)
3271 def get_pore_radius_is_optimized(self):
3272 """get_pore_radius_is_optimized(SlabWithPore self) -> bool"""
3273 return _IMP_npctransport.SlabWithPore_get_pore_radius_is_optimized(self)
3276 def set_pore_radius_is_optimized(self, tf):
3277 """set_pore_radius_is_optimized(SlabWithPore self, bool tf)"""
3278 return _IMP_npctransport.SlabWithPore_set_pore_radius_is_optimized(self, tf)
3281 def get_thickness_key():
3282 """get_thickness_key() -> FloatKey"""
3283 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3285 get_thickness_key = staticmethod(get_thickness_key)
3287 def get_pore_radius_key():
3288 """get_pore_radius_key() -> FloatKey"""
3289 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3291 get_pore_radius_key = staticmethod(get_pore_radius_key)
3293 def add_attribute(self, *args):
3295 add_attribute(SlabWithPore self, FloatKey k, IMP::Float v, bool opt)
3296 add_attribute(SlabWithPore self, FloatKey a0, IMP::Float a1)
3297 add_attribute(SlabWithPore self, IntKey a0, IMP::Int a1)
3298 add_attribute(SlabWithPore self, StringKey a0, IMP::String a1)
3299 add_attribute(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3300 add_attribute(SlabWithPore self, ObjectKey a0, Object a1)
3302 return _IMP_npctransport.SlabWithPore_add_attribute(self, *args)
3305 def get_value(self, *args):
3307 get_value(SlabWithPore self, FloatKey a0) -> IMP::Float
3308 get_value(SlabWithPore self, IntKey a0) -> IMP::Int
3309 get_value(SlabWithPore self, StringKey a0) -> IMP::String
3310 get_value(SlabWithPore self, ParticleIndexKey a0) -> Particle
3311 get_value(SlabWithPore self, ObjectKey a0) -> Object
3313 return _IMP_npctransport.SlabWithPore_get_value(self, *args)
3316 def set_value(self, *args):
3318 set_value(SlabWithPore self, FloatKey a0, IMP::Float a1)
3319 set_value(SlabWithPore self, IntKey a0, IMP::Int a1)
3320 set_value(SlabWithPore self, StringKey a0, IMP::String a1)
3321 set_value(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3322 set_value(SlabWithPore self, ObjectKey a0, Object a1)
3324 return _IMP_npctransport.SlabWithPore_set_value(self, *args)
3327 def remove_attribute(self, *args):
3329 remove_attribute(SlabWithPore self, FloatKey a0)
3330 remove_attribute(SlabWithPore self, IntKey a0)
3331 remove_attribute(SlabWithPore self, StringKey a0)
3332 remove_attribute(SlabWithPore self, ParticleIndexKey a0)
3333 remove_attribute(SlabWithPore self, ObjectKey a0)
3335 return _IMP_npctransport.SlabWithPore_remove_attribute(self, *args)
3338 def has_attribute(self, *args):
3340 has_attribute(SlabWithPore self, FloatKey a0) -> bool
3341 has_attribute(SlabWithPore self, IntKey a0) -> bool
3342 has_attribute(SlabWithPore self, StringKey a0) -> bool
3343 has_attribute(SlabWithPore self, ParticleIndexKey a0) -> bool
3344 has_attribute(SlabWithPore self, ObjectKey a0) -> bool
3346 return _IMP_npctransport.SlabWithPore_has_attribute(self, *args)
3349 def get_derivative(self, a0):
3350 """get_derivative(SlabWithPore self, FloatKey a0) -> double"""
3351 return _IMP_npctransport.SlabWithPore_get_derivative(self, a0)
3355 """get_name(SlabWithPore self) -> std::string"""
3356 return _IMP_npctransport.SlabWithPore_get_name(self)
3359 def clear_caches(self):
3360 """clear_caches(SlabWithPore self)"""
3361 return _IMP_npctransport.SlabWithPore_clear_caches(self)
3364 def set_name(self, a0):
3365 """set_name(SlabWithPore self, std::string a0)"""
3366 return _IMP_npctransport.SlabWithPore_set_name(self, a0)
3370 """set_check_level(SlabWithPore self, IMP::CheckLevel a0)"""
3371 return _IMP_npctransport.SlabWithPore_set_check_level(self, a0)
3374 def add_to_derivative(self, a0, a1, a2):
3375 """add_to_derivative(SlabWithPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3376 return _IMP_npctransport.SlabWithPore_add_to_derivative(self, a0, a1, a2)
3379 def set_is_optimized(self, a0, a1):
3380 """set_is_optimized(SlabWithPore self, FloatKey a0, bool a1)"""
3381 return _IMP_npctransport.SlabWithPore_set_is_optimized(self, a0, a1)
3384 def get_is_optimized(self, a0):
3385 """get_is_optimized(SlabWithPore self, FloatKey a0) -> bool"""
3386 return _IMP_npctransport.SlabWithPore_get_is_optimized(self, a0)
3390 """get_check_level(SlabWithPore self) -> IMP::CheckLevel"""
3391 return _IMP_npctransport.SlabWithPore_get_check_level(self)
3394 def __eq__(self, *args):
3396 __eq__(SlabWithPore self, SlabWithPore o) -> bool
3397 __eq__(SlabWithPore self, Particle d) -> bool
3399 return _IMP_npctransport.SlabWithPore___eq__(self, *args)
3402 def __ne__(self, *args):
3404 __ne__(SlabWithPore self, SlabWithPore o) -> bool
3405 __ne__(SlabWithPore self, Particle d) -> bool
3407 return _IMP_npctransport.SlabWithPore___ne__(self, *args)
3410 def __le__(self, *args):
3412 __le__(SlabWithPore self, SlabWithPore o) -> bool
3413 __le__(SlabWithPore self, Particle d) -> bool
3415 return _IMP_npctransport.SlabWithPore___le__(self, *args)
3418 def __lt__(self, *args):
3420 __lt__(SlabWithPore self, SlabWithPore o) -> bool
3421 __lt__(SlabWithPore self, Particle d) -> bool
3423 return _IMP_npctransport.SlabWithPore___lt__(self, *args)
3426 def __ge__(self, *args):
3428 __ge__(SlabWithPore self, SlabWithPore o) -> bool
3429 __ge__(SlabWithPore self, Particle d) -> bool
3431 return _IMP_npctransport.SlabWithPore___ge__(self, *args)
3434 def __gt__(self, *args):
3436 __gt__(SlabWithPore self, SlabWithPore o) -> bool
3437 __gt__(SlabWithPore self, Particle d) -> bool
3439 return _IMP_npctransport.SlabWithPore___gt__(self, *args)
3443 """__hash__(SlabWithPore self) -> std::size_t"""
3444 return _IMP_npctransport.SlabWithPore___hash__(self)
3448 """__str__(SlabWithPore self) -> std::string"""
3449 return _IMP_npctransport.SlabWithPore___str__(self)
3453 """__repr__(SlabWithPore self) -> std::string"""
3454 return _IMP_npctransport.SlabWithPore___repr__(self)
3456 __swig_destroy__ = _IMP_npctransport.delete_SlabWithPore
3457 __del__ =
lambda self:
None
3458 SlabWithPore_swigregister = _IMP_npctransport.SlabWithPore_swigregister
3459 SlabWithPore_swigregister(SlabWithPore)
3461 def SlabWithPore_setup_particle(*args):
3463 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
3464 SlabWithPore_setup_particle(_ParticleAdaptor decorator, double thickness, double pore_radius) -> SlabWithPore
3466 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
3468 def SlabWithPore_get_is_setup(*args):
3470 get_is_setup(_ParticleAdaptor p) -> bool
3471 SlabWithPore_get_is_setup(Model m, ParticleIndex pi) -> bool
3473 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
3475 def SlabWithPore_get_thickness_key():
3476 """SlabWithPore_get_thickness_key() -> FloatKey"""
3477 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3479 def SlabWithPore_get_pore_radius_key():
3480 """SlabWithPore_get_pore_radius_key() -> FloatKey"""
3481 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3483 class SlabWithCylindricalPore(SlabWithPore):
3484 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPore class."""
3486 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3490 __init__(IMP::npctransport::SlabWithCylindricalPore self) -> SlabWithCylindricalPore
3491 __init__(IMP::npctransport::SlabWithCylindricalPore self, Model m, ParticleIndex id) -> SlabWithCylindricalPore
3492 __init__(IMP::npctransport::SlabWithCylindricalPore self, _ParticleAdaptor d) -> SlabWithCylindricalPore
3494 this = _IMP_npctransport.new_SlabWithCylindricalPore(*args)
3496 self.this.append(this)
3497 except __builtin__.Exception:
3500 def show(self, *args):
3502 show(SlabWithCylindricalPore self, _ostream out)
3503 show(SlabWithCylindricalPore self)
3505 return _IMP_npctransport.SlabWithCylindricalPore_show(self, *args)
3508 def setup_particle(*args):
3510 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3511 setup_particle(_ParticleAdaptor decorator, double thickness, double radius) -> SlabWithCylindricalPore
3513 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3515 setup_particle = staticmethod(setup_particle)
3517 def get_is_setup(*args):
3519 get_is_setup(_ParticleAdaptor p) -> bool
3520 get_is_setup(Model m, ParticleIndex pi) -> bool
3522 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3524 get_is_setup = staticmethod(get_is_setup)
3526 def get_cylindrical_pore_key():
3527 """get_cylindrical_pore_key() -> IntKey"""
3528 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3530 get_cylindrical_pore_key = staticmethod(get_cylindrical_pore_key)
3532 def add_attribute(self, *args):
3534 add_attribute(SlabWithCylindricalPore self, FloatKey k, IMP::Float v, bool opt)
3535 add_attribute(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3536 add_attribute(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3537 add_attribute(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3538 add_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3539 add_attribute(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3541 return _IMP_npctransport.SlabWithCylindricalPore_add_attribute(self, *args)
3544 def get_value(self, *args):
3546 get_value(SlabWithCylindricalPore self, FloatKey a0) -> IMP::Float
3547 get_value(SlabWithCylindricalPore self, IntKey a0) -> IMP::Int
3548 get_value(SlabWithCylindricalPore self, StringKey a0) -> IMP::String
3549 get_value(SlabWithCylindricalPore self, ParticleIndexKey a0) -> Particle
3550 get_value(SlabWithCylindricalPore self, ObjectKey a0) -> Object
3552 return _IMP_npctransport.SlabWithCylindricalPore_get_value(self, *args)
3555 def set_value(self, *args):
3557 set_value(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3558 set_value(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3559 set_value(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3560 set_value(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3561 set_value(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3563 return _IMP_npctransport.SlabWithCylindricalPore_set_value(self, *args)
3566 def remove_attribute(self, *args):
3568 remove_attribute(SlabWithCylindricalPore self, FloatKey a0)
3569 remove_attribute(SlabWithCylindricalPore self, IntKey a0)
3570 remove_attribute(SlabWithCylindricalPore self, StringKey a0)
3571 remove_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0)
3572 remove_attribute(SlabWithCylindricalPore self, ObjectKey a0)
3574 return _IMP_npctransport.SlabWithCylindricalPore_remove_attribute(self, *args)
3577 def has_attribute(self, *args):
3579 has_attribute(SlabWithCylindricalPore self, FloatKey a0) -> bool
3580 has_attribute(SlabWithCylindricalPore self, IntKey a0) -> bool
3581 has_attribute(SlabWithCylindricalPore self, StringKey a0) -> bool
3582 has_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0) -> bool
3583 has_attribute(SlabWithCylindricalPore self, ObjectKey a0) -> bool
3585 return _IMP_npctransport.SlabWithCylindricalPore_has_attribute(self, *args)
3588 def get_derivative(self, a0):
3589 """get_derivative(SlabWithCylindricalPore self, FloatKey a0) -> double"""
3590 return _IMP_npctransport.SlabWithCylindricalPore_get_derivative(self, a0)
3594 """get_name(SlabWithCylindricalPore self) -> std::string"""
3595 return _IMP_npctransport.SlabWithCylindricalPore_get_name(self)
3598 def clear_caches(self):
3599 """clear_caches(SlabWithCylindricalPore self)"""
3600 return _IMP_npctransport.SlabWithCylindricalPore_clear_caches(self)
3603 def set_name(self, a0):
3604 """set_name(SlabWithCylindricalPore self, std::string a0)"""
3605 return _IMP_npctransport.SlabWithCylindricalPore_set_name(self, a0)
3609 """set_check_level(SlabWithCylindricalPore self, IMP::CheckLevel a0)"""
3610 return _IMP_npctransport.SlabWithCylindricalPore_set_check_level(self, a0)
3613 def add_to_derivative(self, a0, a1, a2):
3614 """add_to_derivative(SlabWithCylindricalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3615 return _IMP_npctransport.SlabWithCylindricalPore_add_to_derivative(self, a0, a1, a2)
3618 def set_is_optimized(self, a0, a1):
3619 """set_is_optimized(SlabWithCylindricalPore self, FloatKey a0, bool a1)"""
3620 return _IMP_npctransport.SlabWithCylindricalPore_set_is_optimized(self, a0, a1)
3623 def get_is_optimized(self, a0):
3624 """get_is_optimized(SlabWithCylindricalPore self, FloatKey a0) -> bool"""
3625 return _IMP_npctransport.SlabWithCylindricalPore_get_is_optimized(self, a0)
3629 """get_check_level(SlabWithCylindricalPore self) -> IMP::CheckLevel"""
3630 return _IMP_npctransport.SlabWithCylindricalPore_get_check_level(self)
3633 def __eq__(self, *args):
3635 __eq__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3636 __eq__(SlabWithCylindricalPore self, Particle d) -> bool
3638 return _IMP_npctransport.SlabWithCylindricalPore___eq__(self, *args)
3641 def __ne__(self, *args):
3643 __ne__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3644 __ne__(SlabWithCylindricalPore self, Particle d) -> bool
3646 return _IMP_npctransport.SlabWithCylindricalPore___ne__(self, *args)
3649 def __le__(self, *args):
3651 __le__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3652 __le__(SlabWithCylindricalPore self, Particle d) -> bool
3654 return _IMP_npctransport.SlabWithCylindricalPore___le__(self, *args)
3657 def __lt__(self, *args):
3659 __lt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3660 __lt__(SlabWithCylindricalPore self, Particle d) -> bool
3662 return _IMP_npctransport.SlabWithCylindricalPore___lt__(self, *args)
3665 def __ge__(self, *args):
3667 __ge__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3668 __ge__(SlabWithCylindricalPore self, Particle d) -> bool
3670 return _IMP_npctransport.SlabWithCylindricalPore___ge__(self, *args)
3673 def __gt__(self, *args):
3675 __gt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3676 __gt__(SlabWithCylindricalPore self, Particle d) -> bool
3678 return _IMP_npctransport.SlabWithCylindricalPore___gt__(self, *args)
3682 """__hash__(SlabWithCylindricalPore self) -> std::size_t"""
3683 return _IMP_npctransport.SlabWithCylindricalPore___hash__(self)
3687 """__str__(SlabWithCylindricalPore self) -> std::string"""
3688 return _IMP_npctransport.SlabWithCylindricalPore___str__(self)
3692 """__repr__(SlabWithCylindricalPore self) -> std::string"""
3693 return _IMP_npctransport.SlabWithCylindricalPore___repr__(self)
3695 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPore
3696 __del__ =
lambda self:
None
3697 SlabWithCylindricalPore_swigregister = _IMP_npctransport.SlabWithCylindricalPore_swigregister
3698 SlabWithCylindricalPore_swigregister(SlabWithCylindricalPore)
3700 def SlabWithCylindricalPore_setup_particle(*args):
3702 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3703 SlabWithCylindricalPore_setup_particle(_ParticleAdaptor decorator, double thickness, double radius) -> SlabWithCylindricalPore
3705 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3707 def SlabWithCylindricalPore_get_is_setup(*args):
3709 get_is_setup(_ParticleAdaptor p) -> bool
3710 SlabWithCylindricalPore_get_is_setup(Model m, ParticleIndex pi) -> bool
3712 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3714 def SlabWithCylindricalPore_get_cylindrical_pore_key():
3715 """SlabWithCylindricalPore_get_cylindrical_pore_key() -> IntKey"""
3716 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3718 class SlabWithToroidalPore(SlabWithPore):
3719 """Proxy of C++ IMP::npctransport::SlabWithToroidalPore class."""
3721 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
3725 __init__(IMP::npctransport::SlabWithToroidalPore self) -> SlabWithToroidalPore
3726 __init__(IMP::npctransport::SlabWithToroidalPore self, Model m, ParticleIndex id) -> SlabWithToroidalPore
3727 __init__(IMP::npctransport::SlabWithToroidalPore self, _ParticleAdaptor d) -> SlabWithToroidalPore
3729 this = _IMP_npctransport.new_SlabWithToroidalPore(*args)
3731 self.this.append(this)
3732 except __builtin__.Exception:
3735 def show(self, *args):
3737 show(SlabWithToroidalPore self, _ostream out)
3738 show(SlabWithToroidalPore self)
3740 return _IMP_npctransport.SlabWithToroidalPore_show(self, *args)
3743 def setup_particle(*args):
3745 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3746 setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius) -> SlabWithToroidalPore
3747 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3748 setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3750 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3752 setup_particle = staticmethod(setup_particle)
3754 def get_is_setup(*args):
3756 get_is_setup(_ParticleAdaptor p) -> bool
3757 get_is_setup(Model m, ParticleIndex pi) -> bool
3759 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3761 get_is_setup = staticmethod(get_is_setup)
3763 def set_minor_radius_h2v_aspect_ratio(self, aspect_ratio):
3764 """set_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self, double aspect_ratio)"""
3765 return _IMP_npctransport.SlabWithToroidalPore_set_minor_radius_h2v_aspect_ratio(self, aspect_ratio)
3768 def get_minor_radius_h2v_aspect_ratio(self):
3769 """get_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self) -> double"""
3770 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio(self)
3773 def get_vertical_minor_radius(self):
3774 """get_vertical_minor_radius(SlabWithToroidalPore self) -> double"""
3775 return _IMP_npctransport.SlabWithToroidalPore_get_vertical_minor_radius(self)
3778 def set_vertical_minor_radius(self, rv):
3779 """set_vertical_minor_radius(SlabWithToroidalPore self, double rv)"""
3780 return _IMP_npctransport.SlabWithToroidalPore_set_vertical_minor_radius(self, rv)
3783 def get_horizontal_minor_radius(self):
3784 """get_horizontal_minor_radius(SlabWithToroidalPore self) -> double"""
3785 return _IMP_npctransport.SlabWithToroidalPore_get_horizontal_minor_radius(self)
3788 def set_horizontal_minor_radius(self, rh):
3789 """set_horizontal_minor_radius(SlabWithToroidalPore self, double rh)"""
3790 return _IMP_npctransport.SlabWithToroidalPore_set_horizontal_minor_radius(self, rh)
3793 def get_minor_radius_h2v_aspect_ratio_key():
3794 """get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3795 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3797 get_minor_radius_h2v_aspect_ratio_key = staticmethod(get_minor_radius_h2v_aspect_ratio_key)
3799 def get_toroidal_pore_key():
3800 """get_toroidal_pore_key() -> IntKey"""
3801 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3803 get_toroidal_pore_key = staticmethod(get_toroidal_pore_key)
3805 def add_attribute(self, *args):
3807 add_attribute(SlabWithToroidalPore self, FloatKey k, IMP::Float v, bool opt)
3808 add_attribute(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3809 add_attribute(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3810 add_attribute(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3811 add_attribute(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3812 add_attribute(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3814 return _IMP_npctransport.SlabWithToroidalPore_add_attribute(self, *args)
3817 def get_value(self, *args):
3819 get_value(SlabWithToroidalPore self, FloatKey a0) -> IMP::Float
3820 get_value(SlabWithToroidalPore self, IntKey a0) -> IMP::Int
3821 get_value(SlabWithToroidalPore self, StringKey a0) -> IMP::String
3822 get_value(SlabWithToroidalPore self, ParticleIndexKey a0) -> Particle
3823 get_value(SlabWithToroidalPore self, ObjectKey a0) -> Object
3825 return _IMP_npctransport.SlabWithToroidalPore_get_value(self, *args)
3828 def set_value(self, *args):
3830 set_value(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3831 set_value(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3832 set_value(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3833 set_value(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3834 set_value(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3836 return _IMP_npctransport.SlabWithToroidalPore_set_value(self, *args)
3839 def remove_attribute(self, *args):
3841 remove_attribute(SlabWithToroidalPore self, FloatKey a0)
3842 remove_attribute(SlabWithToroidalPore self, IntKey a0)
3843 remove_attribute(SlabWithToroidalPore self, StringKey a0)
3844 remove_attribute(SlabWithToroidalPore self, ParticleIndexKey a0)
3845 remove_attribute(SlabWithToroidalPore self, ObjectKey a0)
3847 return _IMP_npctransport.SlabWithToroidalPore_remove_attribute(self, *args)
3850 def has_attribute(self, *args):
3852 has_attribute(SlabWithToroidalPore self, FloatKey a0) -> bool
3853 has_attribute(SlabWithToroidalPore self, IntKey a0) -> bool
3854 has_attribute(SlabWithToroidalPore self, StringKey a0) -> bool
3855 has_attribute(SlabWithToroidalPore self, ParticleIndexKey a0) -> bool
3856 has_attribute(SlabWithToroidalPore self, ObjectKey a0) -> bool
3858 return _IMP_npctransport.SlabWithToroidalPore_has_attribute(self, *args)
3861 def get_derivative(self, a0):
3862 """get_derivative(SlabWithToroidalPore self, FloatKey a0) -> double"""
3863 return _IMP_npctransport.SlabWithToroidalPore_get_derivative(self, a0)
3867 """get_name(SlabWithToroidalPore self) -> std::string"""
3868 return _IMP_npctransport.SlabWithToroidalPore_get_name(self)
3871 def clear_caches(self):
3872 """clear_caches(SlabWithToroidalPore self)"""
3873 return _IMP_npctransport.SlabWithToroidalPore_clear_caches(self)
3876 def set_name(self, a0):
3877 """set_name(SlabWithToroidalPore self, std::string a0)"""
3878 return _IMP_npctransport.SlabWithToroidalPore_set_name(self, a0)
3882 """set_check_level(SlabWithToroidalPore self, IMP::CheckLevel a0)"""
3883 return _IMP_npctransport.SlabWithToroidalPore_set_check_level(self, a0)
3886 def add_to_derivative(self, a0, a1, a2):
3887 """add_to_derivative(SlabWithToroidalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3888 return _IMP_npctransport.SlabWithToroidalPore_add_to_derivative(self, a0, a1, a2)
3891 def set_is_optimized(self, a0, a1):
3892 """set_is_optimized(SlabWithToroidalPore self, FloatKey a0, bool a1)"""
3893 return _IMP_npctransport.SlabWithToroidalPore_set_is_optimized(self, a0, a1)
3896 def get_is_optimized(self, a0):
3897 """get_is_optimized(SlabWithToroidalPore self, FloatKey a0) -> bool"""
3898 return _IMP_npctransport.SlabWithToroidalPore_get_is_optimized(self, a0)
3902 """get_check_level(SlabWithToroidalPore self) -> IMP::CheckLevel"""
3903 return _IMP_npctransport.SlabWithToroidalPore_get_check_level(self)
3906 def __eq__(self, *args):
3908 __eq__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3909 __eq__(SlabWithToroidalPore self, Particle d) -> bool
3911 return _IMP_npctransport.SlabWithToroidalPore___eq__(self, *args)
3914 def __ne__(self, *args):
3916 __ne__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3917 __ne__(SlabWithToroidalPore self, Particle d) -> bool
3919 return _IMP_npctransport.SlabWithToroidalPore___ne__(self, *args)
3922 def __le__(self, *args):
3924 __le__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3925 __le__(SlabWithToroidalPore self, Particle d) -> bool
3927 return _IMP_npctransport.SlabWithToroidalPore___le__(self, *args)
3930 def __lt__(self, *args):
3932 __lt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3933 __lt__(SlabWithToroidalPore self, Particle d) -> bool
3935 return _IMP_npctransport.SlabWithToroidalPore___lt__(self, *args)
3938 def __ge__(self, *args):
3940 __ge__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3941 __ge__(SlabWithToroidalPore self, Particle d) -> bool
3943 return _IMP_npctransport.SlabWithToroidalPore___ge__(self, *args)
3946 def __gt__(self, *args):
3948 __gt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3949 __gt__(SlabWithToroidalPore self, Particle d) -> bool
3951 return _IMP_npctransport.SlabWithToroidalPore___gt__(self, *args)
3955 """__hash__(SlabWithToroidalPore self) -> std::size_t"""
3956 return _IMP_npctransport.SlabWithToroidalPore___hash__(self)
3960 """__str__(SlabWithToroidalPore self) -> std::string"""
3961 return _IMP_npctransport.SlabWithToroidalPore___str__(self)
3965 """__repr__(SlabWithToroidalPore self) -> std::string"""
3966 return _IMP_npctransport.SlabWithToroidalPore___repr__(self)
3968 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPore
3969 __del__ =
lambda self:
None
3970 SlabWithToroidalPore_swigregister = _IMP_npctransport.SlabWithToroidalPore_swigregister
3971 SlabWithToroidalPore_swigregister(SlabWithToroidalPore)
3973 def SlabWithToroidalPore_setup_particle(*args):
3975 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3976 setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius) -> SlabWithToroidalPore
3977 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3978 SlabWithToroidalPore_setup_particle(_ParticleAdaptor decorator, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3980 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3982 def SlabWithToroidalPore_get_is_setup(*args):
3984 get_is_setup(_ParticleAdaptor p) -> bool
3985 SlabWithToroidalPore_get_is_setup(Model m, ParticleIndex pi) -> bool
3987 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3989 def SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key():
3990 """SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3991 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3993 def SlabWithToroidalPore_get_toroidal_pore_key():
3994 """SlabWithToroidalPore_get_toroidal_pore_key() -> IntKey"""
3995 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3998 def __lshift__(*args):
4000 __lshift__(_ostream out, RelaxingSpring n) -> _ostream
4001 __lshift__(_ostream out, Transporting n) -> _ostream
4002 __lshift__(_ostream out, SlabWithPore n) -> _ostream
4003 __lshift__(_ostream out, SlabWithCylindricalPore n) -> _ostream
4004 __lshift__(_ostream out, SlabWithToroidalPore n) -> _ostream
4006 return _IMP_npctransport.__lshift__(*args)
4008 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPorePairScore class."""
4010 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4013 """__init__(IMP::npctransport::SlabWithCylindricalPorePairScore self, double k) -> SlabWithCylindricalPorePairScore"""
4014 this = _IMP_npctransport.new_SlabWithCylindricalPorePairScore(k)
4016 self.this.append(this)
4017 except __builtin__.Exception:
4020 def get_displacement_direction(self, slab, v):
4021 """get_displacement_direction(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> Vector3D"""
4022 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_direction(self, slab, v)
4025 def get_displacement_magnitude(self, slab, v):
4026 """get_displacement_magnitude(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> double"""
4027 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_magnitude(self, slab, v)
4030 def do_get_inputs(self, m, pis):
4031 """do_get_inputs(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4032 return _IMP_npctransport.SlabWithCylindricalPorePairScore_do_get_inputs(self, m, pis)
4035 def get_version_info(self):
4036 """get_version_info(SlabWithCylindricalPorePairScore self) -> VersionInfo"""
4037 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_version_info(self)
4041 """__str__(SlabWithCylindricalPorePairScore self) -> std::string"""
4042 return _IMP_npctransport.SlabWithCylindricalPorePairScore___str__(self)
4046 """__repr__(SlabWithCylindricalPorePairScore self) -> std::string"""
4047 return _IMP_npctransport.SlabWithCylindricalPorePairScore___repr__(self)
4052 return _object_cast_to_SlabWithCylindricalPorePairScore(o)
4054 SlabWithCylindricalPorePairScore_swigregister = _IMP_npctransport.SlabWithCylindricalPorePairScore_swigregister
4055 SlabWithCylindricalPorePairScore_swigregister(SlabWithCylindricalPorePairScore)
4058 """Proxy of C++ IMP::npctransport::SlabWithToroidalPorePairScore class."""
4060 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4063 """__init__(IMP::npctransport::SlabWithToroidalPorePairScore self, double k) -> SlabWithToroidalPorePairScore"""
4064 this = _IMP_npctransport.new_SlabWithToroidalPorePairScore(k)
4066 self.this.append(this)
4067 except __builtin__.Exception:
4070 def do_get_inputs(self, m, pis):
4071 """do_get_inputs(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4072 return _IMP_npctransport.SlabWithToroidalPorePairScore_do_get_inputs(self, m, pis)
4075 def get_version_info(self):
4076 """get_version_info(SlabWithToroidalPorePairScore self) -> VersionInfo"""
4077 return _IMP_npctransport.SlabWithToroidalPorePairScore_get_version_info(self)
4081 """__str__(SlabWithToroidalPorePairScore self) -> std::string"""
4082 return _IMP_npctransport.SlabWithToroidalPorePairScore___str__(self)
4086 """__repr__(SlabWithToroidalPorePairScore self) -> std::string"""
4087 return _IMP_npctransport.SlabWithToroidalPorePairScore___repr__(self)
4092 return _object_cast_to_SlabWithToroidalPorePairScore(o)
4094 SlabWithToroidalPorePairScore_swigregister = _IMP_npctransport.SlabWithToroidalPorePairScore_swigregister
4095 SlabWithToroidalPorePairScore_swigregister(SlabWithToroidalPorePairScore)
4098 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreWireGeometry class."""
4100 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4102 def __init__(self, height, radius, length):
4103 """__init__(IMP::npctransport::SlabWithCylindricalPoreWireGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreWireGeometry"""
4104 this = _IMP_npctransport.new_SlabWithCylindricalPoreWireGeometry(height, radius, length)
4106 self.this.append(this)
4107 except __builtin__.Exception:
4110 def get_version_info(self):
4111 """get_version_info(SlabWithCylindricalPoreWireGeometry self) -> VersionInfo"""
4112 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_get_version_info(self)
4116 """__str__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
4117 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___str__(self)
4121 """__repr__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
4122 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___repr__(self)
4127 return _object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
4129 SlabWithCylindricalPoreWireGeometry_swigregister = _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swigregister
4130 SlabWithCylindricalPoreWireGeometry_swigregister(SlabWithCylindricalPoreWireGeometry)
4133 """Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry class."""
4135 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4137 def __init__(self, height, radius, length):
4138 """__init__(IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreSurfaceGeometry"""
4139 this = _IMP_npctransport.new_SlabWithCylindricalPoreSurfaceGeometry(height, radius, length)
4141 self.this.append(this)
4142 except __builtin__.Exception:
4146 """__str__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
4147 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___str__(self)
4151 """__repr__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
4152 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___repr__(self)
4157 return _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
4159 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreSurfaceGeometry
4160 __del__ =
lambda self:
None
4161 SlabWithCylindricalPoreSurfaceGeometry_swigregister = _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swigregister
4162 SlabWithCylindricalPoreSurfaceGeometry_swigregister(SlabWithCylindricalPoreSurfaceGeometry)
4165 """Proxy of C++ IMP::npctransport::SlabWithToroidalPoreWireGeometry class."""
4167 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4171 __init__(IMP::npctransport::SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double horizontal_semiaxis, double slab_length) -> SlabWithToroidalPoreWireGeometry
4172 __init__(IMP::npctransport::SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double slab_length) -> SlabWithToroidalPoreWireGeometry
4174 this = _IMP_npctransport.new_SlabWithToroidalPoreWireGeometry(*args)
4176 self.this.append(this)
4177 except __builtin__.Exception:
4180 def get_version_info(self):
4181 """get_version_info(SlabWithToroidalPoreWireGeometry self) -> VersionInfo"""
4182 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry_get_version_info(self)
4186 """__str__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
4187 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___str__(self)
4191 """__repr__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
4192 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___repr__(self)
4197 return _object_cast_to_SlabWithToroidalPoreWireGeometry(o)
4199 SlabWithToroidalPoreWireGeometry_swigregister = _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swigregister
4200 SlabWithToroidalPoreWireGeometry_swigregister(SlabWithToroidalPoreWireGeometry)
4203 """Proxy of C++ IMP::core::GenericAttributeSingletonScore<(IMP::core::Harmonic)> class."""
4205 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4206 __repr__ = _swig_repr
4209 """__init__(IMP::core::GenericAttributeSingletonScore<(IMP::core::Harmonic)> self, Harmonic f, FloatKey k) -> _GenericAttributeSingletonScoreForPoreRadus"""
4210 this = _IMP_npctransport.new__GenericAttributeSingletonScoreForPoreRadus(f, k)
4212 self.this.append(this)
4213 except __builtin__.Exception:
4216 def do_get_inputs(self, m, pis):
4217 """do_get_inputs(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4218 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_do_get_inputs(self, m, pis)
4221 def get_unary_function(self):
4222 """get_unary_function(_GenericAttributeSingletonScoreForPoreRadus self) -> Harmonic"""
4223 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_unary_function(self)
4226 def get_version_info(self):
4227 """get_version_info(_GenericAttributeSingletonScoreForPoreRadus self) -> VersionInfo"""
4228 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_version_info(self)
4230 _GenericAttributeSingletonScoreForPoreRadus_swigregister = _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swigregister
4231 _GenericAttributeSingletonScoreForPoreRadus_swigregister(_GenericAttributeSingletonScoreForPoreRadus)
4233 class PoreRadiusSingletonScore(_GenericAttributeSingletonScoreForPoreRadus):
4234 """Proxy of C++ IMP::npctransport::PoreRadiusSingletonScore class."""
4236 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4239 """__init__(IMP::npctransport::PoreRadiusSingletonScore self, IMP::Float mean, IMP::Float k) -> PoreRadiusSingletonScore"""
4240 this = _IMP_npctransport.new_PoreRadiusSingletonScore(mean, k)
4242 self.this.append(this)
4243 except __builtin__.Exception:
4247 """set_k(PoreRadiusSingletonScore self, double k)"""
4248 return _IMP_npctransport.PoreRadiusSingletonScore_set_k(self, k)
4252 """__str__(PoreRadiusSingletonScore self) -> std::string"""
4253 return _IMP_npctransport.PoreRadiusSingletonScore___str__(self)
4257 """__repr__(PoreRadiusSingletonScore self) -> std::string"""
4258 return _IMP_npctransport.PoreRadiusSingletonScore___repr__(self)
4263 return _object_cast_to_PoreRadiusSingletonScore(o)
4265 PoreRadiusSingletonScore_swigregister = _IMP_npctransport.PoreRadiusSingletonScore_swigregister
4266 PoreRadiusSingletonScore_swigregister(PoreRadiusSingletonScore)
4269 """Proxy of C++ IMP::npctransport::ExcludeZRangeSingletonScore class."""
4271 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4273 def __init__(self, bottom, top, k):
4274 """__init__(IMP::npctransport::ExcludeZRangeSingletonScore self, double bottom, double top, double k) -> ExcludeZRangeSingletonScore"""
4275 this = _IMP_npctransport.new_ExcludeZRangeSingletonScore(bottom, top, k)
4277 self.this.append(this)
4278 except __builtin__.Exception:
4281 def get_bottom_z(self):
4282 """get_bottom_z(ExcludeZRangeSingletonScore self) -> double"""
4283 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_bottom_z(self)
4286 def get_top_z(self):
4287 """get_top_z(ExcludeZRangeSingletonScore self) -> double"""
4288 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_top_z(self)
4292 """get_k(ExcludeZRangeSingletonScore self) -> double"""
4293 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_k(self)
4296 def do_get_inputs(self, m, pis):
4297 """do_get_inputs(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4298 return _IMP_npctransport.ExcludeZRangeSingletonScore_do_get_inputs(self, m, pis)
4301 def get_version_info(self):
4302 """get_version_info(ExcludeZRangeSingletonScore self) -> VersionInfo"""
4303 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_version_info(self)
4307 """__str__(ExcludeZRangeSingletonScore self) -> std::string"""
4308 return _IMP_npctransport.ExcludeZRangeSingletonScore___str__(self)
4312 """__repr__(ExcludeZRangeSingletonScore self) -> std::string"""
4313 return _IMP_npctransport.ExcludeZRangeSingletonScore___repr__(self)
4318 return _object_cast_to_ExcludeZRangeSingletonScore(o)
4320 ExcludeZRangeSingletonScore_swigregister = _IMP_npctransport.ExcludeZRangeSingletonScore_swigregister
4321 ExcludeZRangeSingletonScore_swigregister(ExcludeZRangeSingletonScore)
4324 """Proxy of C++ IMP::npctransport::ZBiasSingletonScore class."""
4326 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4330 __init__(IMP::npctransport::ZBiasSingletonScore self, double k, double max_r) -> ZBiasSingletonScore
4331 __init__(IMP::npctransport::ZBiasSingletonScore self, double k) -> ZBiasSingletonScore
4333 this = _IMP_npctransport.new_ZBiasSingletonScore(*args)
4335 self.this.append(this)
4336 except __builtin__.Exception:
4340 """get_k(ZBiasSingletonScore self) -> double"""
4341 return _IMP_npctransport.ZBiasSingletonScore_get_k(self)
4345 """set_k(ZBiasSingletonScore self, double k)"""
4346 return _IMP_npctransport.ZBiasSingletonScore_set_k(self, k)
4349 def do_get_inputs(self, m, pis):
4350 """do_get_inputs(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4351 return _IMP_npctransport.ZBiasSingletonScore_do_get_inputs(self, m, pis)
4354 def get_version_info(self):
4355 """get_version_info(ZBiasSingletonScore self) -> VersionInfo"""
4356 return _IMP_npctransport.ZBiasSingletonScore_get_version_info(self)
4360 """__str__(ZBiasSingletonScore self) -> std::string"""
4361 return _IMP_npctransport.ZBiasSingletonScore___str__(self)
4365 """__repr__(ZBiasSingletonScore self) -> std::string"""
4366 return _IMP_npctransport.ZBiasSingletonScore___repr__(self)
4371 return _object_cast_to_ZBiasSingletonScore(o)
4373 ZBiasSingletonScore_swigregister = _IMP_npctransport.ZBiasSingletonScore_swigregister
4374 ZBiasSingletonScore_swigregister(ZBiasSingletonScore)
4377 """Proxy of C++ IMP::npctransport::BodyStatisticsOptimizerState class."""
4379 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4381 def __init__(self, p, statistics_manager=None, periodicity=1):
4383 __init__(IMP::npctransport::BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None, unsigned int periodicity=1) -> BodyStatisticsOptimizerState
4384 __init__(IMP::npctransport::BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None) -> BodyStatisticsOptimizerState
4385 __init__(IMP::npctransport::BodyStatisticsOptimizerState self, Particle p) -> BodyStatisticsOptimizerState
4387 this = _IMP_npctransport.new_BodyStatisticsOptimizerState(p, statistics_manager, periodicity)
4389 self.this.append(this)
4390 except __builtin__.Exception:
4393 def get_correlation_time(self):
4394 """get_correlation_time(BodyStatisticsOptimizerState self) -> double"""
4395 return _IMP_npctransport.BodyStatisticsOptimizerState_get_correlation_time(self)
4399 """get_diffusion_coefficient(BodyStatisticsOptimizerState self) -> double"""
4400 return _IMP_npctransport.BodyStatisticsOptimizerState_get_diffusion_coefficient(self)
4403 def update_particle_type_zr_distribution_map(self):
4404 """update_particle_type_zr_distribution_map(BodyStatisticsOptimizerState self)"""
4405 return _IMP_npctransport.BodyStatisticsOptimizerState_update_particle_type_zr_distribution_map(self)
4408 def do_update(self, call_num):
4409 """do_update(BodyStatisticsOptimizerState self, unsigned int call_num)"""
4410 return _IMP_npctransport.BodyStatisticsOptimizerState_do_update(self, call_num)
4413 def get_version_info(self):
4414 """get_version_info(BodyStatisticsOptimizerState self) -> VersionInfo"""
4415 return _IMP_npctransport.BodyStatisticsOptimizerState_get_version_info(self)
4419 """__str__(BodyStatisticsOptimizerState self) -> std::string"""
4420 return _IMP_npctransport.BodyStatisticsOptimizerState___str__(self)
4424 """__repr__(BodyStatisticsOptimizerState self) -> std::string"""
4425 return _IMP_npctransport.BodyStatisticsOptimizerState___repr__(self)
4430 return _object_cast_to_BodyStatisticsOptimizerState(o)
4432 BodyStatisticsOptimizerState_swigregister = _IMP_npctransport.BodyStatisticsOptimizerState_swigregister
4433 BodyStatisticsOptimizerState_swigregister(BodyStatisticsOptimizerState)
4436 """Proxy of C++ IMP::npctransport::ParticleTransportStatisticsOptimizerState class."""
4438 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4440 def __init__(self, p, bottom_z, top_z, statistics_manager=0, owner=0):
4442 __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
4443 __init__(IMP::npctransport::ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z, WeakPointer< IMP::npctransport::Statistics > statistics_manager=0) -> ParticleTransportStatisticsOptimizerState
4444 __init__(IMP::npctransport::ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z) -> ParticleTransportStatisticsOptimizerState
4446 this = _IMP_npctransport.new_ParticleTransportStatisticsOptimizerState(p, bottom_z, top_z, statistics_manager, owner)
4448 self.this.append(this)
4449 except __builtin__.Exception:
4452 def set_owner(self, owner):
4453 """set_owner(ParticleTransportStatisticsOptimizerState self, WeakPointer< IMP::atom::Simulator > owner)"""
4454 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_set_owner(self, owner)
4457 def get_owner(self):
4458 """get_owner(ParticleTransportStatisticsOptimizerState self) -> WeakPointer< IMP::atom::Simulator >"""
4459 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_owner(self)
4462 def get_n_transports_up(self):
4463 """get_n_transports_up(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4464 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_up(self)
4467 def get_n_transports_down(self):
4468 """get_n_transports_down(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4469 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_down(self)
4472 def get_total_n_transports(self):
4473 """get_total_n_transports(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4474 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_total_n_transports(self)
4477 def get_transport_time_points_in_ns(self):
4478 """get_transport_time_points_in_ns(ParticleTransportStatisticsOptimizerState self) -> IMP::Floats const &"""
4479 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_transport_time_points_in_ns(self)
4482 def do_update(self, call_num):
4483 """do_update(ParticleTransportStatisticsOptimizerState self, unsigned int call_num)"""
4484 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_do_update(self, call_num)
4487 def get_version_info(self):
4488 """get_version_info(ParticleTransportStatisticsOptimizerState self) -> VersionInfo"""
4489 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_version_info(self)
4493 """__str__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4494 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___str__(self)
4498 """__repr__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4499 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___repr__(self)
4504 return _object_cast_to_ParticleTransportStatisticsOptimizerState(o)
4506 ParticleTransportStatisticsOptimizerState_swigregister = _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swigregister
4507 ParticleTransportStatisticsOptimizerState_swigregister(ParticleTransportStatisticsOptimizerState)
4510 """Proxy of C++ IMP::npctransport::ChainStatisticsOptimizerState class."""
4512 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4514 def __init__(self, ps, periodicity=1):
4516 __init__(IMP::npctransport::ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps, unsigned int periodicity=1) -> ChainStatisticsOptimizerState
4517 __init__(IMP::npctransport::ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps) -> ChainStatisticsOptimizerState
4519 this = _IMP_npctransport.new_ChainStatisticsOptimizerState(ps, periodicity)
4521 self.this.append(this)
4522 except __builtin__.Exception:
4525 def get_correlation_time(self):
4526 """get_correlation_time(ChainStatisticsOptimizerState self) -> double"""
4527 return _IMP_npctransport.ChainStatisticsOptimizerState_get_correlation_time(self)
4530 def get_local_diffusion_coefficients(self):
4531 """get_local_diffusion_coefficients(ChainStatisticsOptimizerState self) -> IMP::Floats"""
4532 return _IMP_npctransport.ChainStatisticsOptimizerState_get_local_diffusion_coefficients(self)
4536 """get_diffusion_coefficient(ChainStatisticsOptimizerState self) -> double"""
4537 return _IMP_npctransport.ChainStatisticsOptimizerState_get_diffusion_coefficient(self)
4540 def get_mean_radius_of_gyration(self):
4541 """get_mean_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4542 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_radius_of_gyration(self)
4545 def get_mean_square_radius_of_gyration(self):
4546 """get_mean_square_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4547 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_radius_of_gyration(self)
4550 def get_mean_end_to_end_distance(self):
4551 """get_mean_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4552 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_end_to_end_distance(self)
4555 def get_mean_square_end_to_end_distance(self):
4556 """get_mean_square_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4557 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_end_to_end_distance(self)
4560 def get_mean_bond_distance(self):
4561 """get_mean_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4562 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_bond_distance(self)
4565 def get_mean_square_bond_distance(self):
4566 """get_mean_square_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4567 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_bond_distance(self)
4570 def do_update(self, call_num):
4571 """do_update(ChainStatisticsOptimizerState self, unsigned int call_num)"""
4572 return _IMP_npctransport.ChainStatisticsOptimizerState_do_update(self, call_num)
4575 def get_version_info(self):
4576 """get_version_info(ChainStatisticsOptimizerState self) -> VersionInfo"""
4577 return _IMP_npctransport.ChainStatisticsOptimizerState_get_version_info(self)
4581 """__str__(ChainStatisticsOptimizerState self) -> std::string"""
4582 return _IMP_npctransport.ChainStatisticsOptimizerState___str__(self)
4586 """__repr__(ChainStatisticsOptimizerState self) -> std::string"""
4587 return _IMP_npctransport.ChainStatisticsOptimizerState___repr__(self)
4592 return _object_cast_to_ChainStatisticsOptimizerState(o)
4594 ChainStatisticsOptimizerState_swigregister = _IMP_npctransport.ChainStatisticsOptimizerState_swigregister
4595 ChainStatisticsOptimizerState_swigregister(ChainStatisticsOptimizerState)
4598 """Proxy of C++ IMP::npctransport::BipartitePairsStatisticsOptimizerState class."""
4600 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4602 def __init__(self, statistics_manager, interaction_type, particlesI, particlesII, contact_range=1.0, slack=1.0):
4604 __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
4605 __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
4606 __init__(IMP::npctransport::BipartitePairsStatisticsOptimizerState self, Statistics statistics_manager, IMP::npctransport::InteractionType interaction_type, IMP::ParticlesTemp const & particlesI, IMP::ParticlesTemp const & particlesII) -> BipartitePairsStatisticsOptimizerState
4608 this = _IMP_npctransport.new_BipartitePairsStatisticsOptimizerState(statistics_manager, interaction_type, particlesI, particlesII, contact_range, slack)
4610 self.this.append(this)
4611 except __builtin__.Exception:
4614 def get_interaction_type(self):
4615 """get_interaction_type(BipartitePairsStatisticsOptimizerState self) -> IMP::npctransport::InteractionType"""
4616 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_interaction_type(self)
4619 def get_average_number_of_contacts(self):
4620 """get_average_number_of_contacts(BipartitePairsStatisticsOptimizerState self) -> double"""
4621 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_number_of_contacts(self)
4624 def get_average_off_per_contact_per_ns(self):
4625 """get_average_off_per_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4626 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_contact_per_ns(self)
4629 def get_average_off_per_bound_I_per_ns(self):
4630 """get_average_off_per_bound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4631 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_I_per_ns(self)
4634 def get_average_off_per_bound_II_per_ns(self):
4635 """get_average_off_per_bound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4636 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_II_per_ns(self)
4639 def get_average_on_per_missing_contact_per_ns(self):
4640 """get_average_on_per_missing_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4641 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_missing_contact_per_ns(self)
4644 def get_average_on_per_unbound_I_per_ns(self):
4645 """get_average_on_per_unbound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4646 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_I_per_ns(self)
4649 def get_average_on_per_unbound_II_per_ns(self):
4650 """get_average_on_per_unbound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4651 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_II_per_ns(self)
4654 def get_average_fraction_bound_particles_I(self):
4655 """get_average_fraction_bound_particles_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4656 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_I(self)
4659 def get_average_fraction_bound_particles_II(self):
4660 """get_average_fraction_bound_particles_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4661 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_II(self)
4664 def get_average_fraction_bound_particle_sites_I(self):
4665 """get_average_fraction_bound_particle_sites_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4666 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_I(self)
4669 def get_average_fraction_bound_particle_sites_II(self):
4670 """get_average_fraction_bound_particle_sites_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4671 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_II(self)
4674 def get_average_fraction_nonspecific_interactions_I(self):
4675 """get_average_fraction_nonspecific_interactions_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4676 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_I(self)
4679 def get_average_fraction_nonspecific_interactions_II(self):
4680 """get_average_fraction_nonspecific_interactions_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4681 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_II(self)
4684 def get_number_of_particles_1(self):
4685 """get_number_of_particles_1(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4686 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_1(self)
4689 def get_number_of_particles_2(self):
4690 """get_number_of_particles_2(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4691 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_2(self)
4694 def get_misc_stats_period_ns(self):
4695 """get_misc_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4696 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_misc_stats_period_ns(self)
4699 def get_off_stats_period_ns(self):
4700 """get_off_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4701 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_stats_period_ns(self)
4704 def get_off_I_stats_period_ns(self):
4705 """get_off_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4706 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_I_stats_period_ns(self)
4709 def get_off_II_stats_period_ns(self):
4710 """get_off_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4711 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_II_stats_period_ns(self)
4714 def get_on_stats_period_ns(self):
4715 """get_on_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4716 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_stats_period_ns(self)
4719 def get_on_I_stats_period_ns(self):
4720 """get_on_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4721 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_I_stats_period_ns(self)
4724 def get_on_II_stats_period_ns(self):
4725 """get_on_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4726 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_II_stats_period_ns(self)
4729 def get_version_info(self):
4730 """get_version_info(BipartitePairsStatisticsOptimizerState self) -> VersionInfo"""
4731 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_version_info(self)
4735 """__str__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4736 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___str__(self)
4740 """__repr__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4741 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___repr__(self)
4746 return _object_cast_to_BipartitePairsStatisticsOptimizerState(o)
4748 BipartitePairsStatisticsOptimizerState_swigregister = _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swigregister
4749 BipartitePairsStatisticsOptimizerState_swigregister(BipartitePairsStatisticsOptimizerState)
4752 def get_close_pairs_range(*args):
4754 get_close_pairs_range(double max_range, double max_range_factor) -> double
4755 get_close_pairs_range(::npctransport_proto::Assignment const & config) -> double
4757 return _IMP_npctransport.get_close_pairs_range(*args)
4761 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
4762 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
4763 get_time_step(double max_d_factor, double max_k, double min_radius, double min_range) -> double
4764 get_time_step(::npctransport_proto::Assignment const & config, double max_trans_relative_to_radius=0.1) -> double
4765 get_time_step(::npctransport_proto::Assignment const & config) -> double
4767 return _IMP_npctransport.get_time_step(*args)
4770 """get_frames_from_ns(double ns, double time_step) -> int"""
4771 return _IMP_npctransport.get_frames_from_ns(ns, time_step)
4774 """get_number_of_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4775 return _IMP_npctransport.get_number_of_frames(config, time_step)
4778 """get_dump_interval_in_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4779 return _IMP_npctransport.get_dump_interval_in_frames(config, time_step)
4783 get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=0.1) -> int
4784 get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step) -> int
4786 return _IMP_npctransport.get_statistics_interval_in_frames(assign, time_step, default_value_ns)
4790 get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=1.0) -> int
4791 get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step) -> int
4793 return _IMP_npctransport.get_output_statistics_interval_in_frames(assign, time_step, default_value_ns)
4797 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)
4798 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints, bool debug=False, double short_init_factor=1.0, bool is_disable_randomize=False)
4799 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints, bool debug=False, double short_init_factor=1.0)
4800 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints, bool debug=False)
4801 initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints)
4802 initialize_positions(SimulationData sd)
4804 return _IMP_npctransport.initialize_positions(*args)
4805 class Avro2PBReader(object):
4806 """Proxy of C++ IMP::npctransport::Avro2PBReader class."""
4808 thisown = _swig_property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
'The membership flag')
4812 __init__(IMP::npctransport::Avro2PBReader self, IMP::Strings const & avro_filenames) -> Avro2PBReader
4813 __init__(IMP::npctransport::Avro2PBReader self, std::string avro_filename) -> Avro2PBReader
4815 this = _IMP_npctransport.new_Avro2PBReader(*args)
4817 self.this.append(this)
4818 except __builtin__.Exception:
4820 __swig_destroy__ = _IMP_npctransport.delete_Avro2PBReader
4821 __del__ =
lambda self:
None
4823 def read_next(self):
4824 """read_next(Avro2PBReader self) -> IMP::npctransport::Avro2PBReader::ByteBuffer"""
4825 return _IMP_npctransport.Avro2PBReader_read_next(self)
4828 def get_is_valid(self):
4829 """get_is_valid(Avro2PBReader self) -> bool"""
4830 return _IMP_npctransport.Avro2PBReader_get_is_valid(self)
4833 def get_cur_file_name(self):
4834 """get_cur_file_name(Avro2PBReader self) -> std::string"""
4835 return _IMP_npctransport.Avro2PBReader_get_cur_file_name(self)
4838 def show(self, *args):
4840 show(Avro2PBReader self, _ostream out)
4841 show(Avro2PBReader self)
4843 return _IMP_npctransport.Avro2PBReader_show(self, *args)
4847 """__str__(Avro2PBReader self) -> std::string"""
4848 return _IMP_npctransport.Avro2PBReader___str__(self)
4852 """__repr__(Avro2PBReader self) -> std::string"""
4853 return _IMP_npctransport.Avro2PBReader___repr__(self)
4855 Avro2PBReader_swigregister = _IMP_npctransport.Avro2PBReader_swigregister
4856 Avro2PBReader_swigregister(Avro2PBReader)
4860 """get_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4861 return _IMP_npctransport.get_optimizable_particles(particles)
4864 """get_non_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4865 return _IMP_npctransport.get_non_optimizable_particles(particles)
4868 """get_particle_indexes(IMP::ParticlesTemp const & particles) -> IMP::ParticleIndexes"""
4869 return _IMP_npctransport.get_particle_indexes(particles)
4872 """get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)"""
4873 return _IMP_npctransport.get_protobuf_configuration_from_text(config_txt, config_pb)
4876 """get_spheres_from_vectors(IMP::algebra::Vector3Ds const & vs, double radius) -> IMP::algebra::Sphere3Ds"""
4877 return _IMP_npctransport.get_spheres_from_vectors(vs, radius)
4879 def get_spheres_centers(spheres):
4880 """get_spheres_centers(IMP::algebra::Sphere3Ds const & spheres) -> IMP::algebra::Vector3Ds"""
4881 return _IMP_npctransport.get_spheres_centers(spheres)
4884 """copy_particle_reference_frame_if_applicable(Particle src_p, Particle trg_p)"""
4885 return _IMP_npctransport.copy_particle_reference_frame_if_applicable(src_p, trg_p)
4888 """copy_hierarchy_reference_frame_recursive(Particle src_p, Particle trg_p)"""
4889 return _IMP_npctransport.copy_hierarchy_reference_frame_recursive(src_p, trg_p)
4892 """copy_FGs_coordinates(SimulationData src_sd, SimulationData trg_sd)"""
4893 return _IMP_npctransport.copy_FGs_coordinates(src_sd, trg_sd)
4896 from .npctransport_pb2
import *
4897 import google.protobuf
4899 print(
"no protobuf support in python")
4900 from ._configuration
import *
4903 def get_module_version():
4904 """get_module_version() -> std::string const"""
4905 return _IMP_npctransport.get_module_version()
4908 """get_example_path(std::string fname) -> std::string"""
4909 return _IMP_npctransport.get_example_path(fname)
4912 """get_data_path(std::string fname) -> std::string"""
4913 return _IMP_npctransport.get_data_path(fname)
4915 from .
import _version_check
4916 _version_check.check_version(get_module_version())
4917 __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)
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