15 import _IMP_npctransport
17 import builtins
as __builtin__
21 strthis =
"proxy of " + self.this.__repr__()
22 except __builtin__.Exception:
24 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
27 def _swig_setattr_nondynamic_instance_variable(set):
28 def set_instance_attr(self, name, value):
30 set(self, name, value)
31 elif name ==
"thisown":
33 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
34 set(self, name, value)
36 raise AttributeError(
"You cannot add instance attributes to %s" % self)
37 return set_instance_attr
40 def _swig_setattr_nondynamic_class_variable(set):
41 def set_class_attr(cls, name, value):
42 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
45 raise AttributeError(
"You cannot add class attributes to %s" % cls)
49 class _SwigNonDynamicMeta(type):
50 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
56 class IMP_NPCTRANSPORT_SwigPyIterator(object):
57 r"""Proxy of C++ swig::IMP_NPCTRANSPORT_SwigPyIterator class."""
59 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
61 def __init__(self, *args, **kwargs):
62 raise AttributeError(
"No constructor defined - class is abstract")
64 __swig_destroy__ = _IMP_npctransport.delete_IMP_NPCTRANSPORT_SwigPyIterator
67 r"""value(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
68 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_value(self)
71 r"""incr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator"""
72 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_incr(self, n)
75 r"""decr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator"""
76 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_decr(self, n)
78 def distance(self, x):
79 r"""distance(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t"""
80 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_distance(self, x)
83 r"""equal(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
84 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_equal(self, x)
87 r"""copy(IMP_NPCTRANSPORT_SwigPyIterator self) -> IMP_NPCTRANSPORT_SwigPyIterator"""
88 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_copy(self)
91 r"""__next__(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
92 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___next__(self)
95 r"""previous(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
96 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_previous(self)
99 r"""advance(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
100 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_advance(self, n)
103 r"""__eq__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
104 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___eq__(self, x)
107 r"""__ne__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
108 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___ne__(self, x)
110 def __iadd__(self, n):
111 r"""__iadd__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
112 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___iadd__(self, n)
114 def __isub__(self, n):
115 r"""__isub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
116 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___isub__(self, n)
118 def __add__(self, n):
119 r"""__add__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
120 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___add__(self, n)
122 def __sub__(self, *args):
124 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator
125 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t
127 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___sub__(self, *args)
132 _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_swigregister(IMP_NPCTRANSPORT_SwigPyIterator)
139 IMP_DEBUG = _IMP_npctransport.IMP_DEBUG
141 IMP_RELEASE = _IMP_npctransport.IMP_RELEASE
143 IMP_SILENT = _IMP_npctransport.IMP_SILENT
145 IMP_PROGRESS = _IMP_npctransport.IMP_PROGRESS
147 IMP_TERSE = _IMP_npctransport.IMP_TERSE
149 IMP_VERBOSE = _IMP_npctransport.IMP_VERBOSE
151 IMP_MEMORY = _IMP_npctransport.IMP_MEMORY
153 IMP_NONE = _IMP_npctransport.IMP_NONE
155 IMP_USAGE = _IMP_npctransport.IMP_USAGE
157 IMP_INTERNAL = _IMP_npctransport.IMP_INTERNAL
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_npctransport.IMP_KERNEL_HAS_LOG4CXX
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_npctransport.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_npctransport.IMP_COMPILER_HAS_DEBUG_VECTOR
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_npctransport.IMP_COMPILER_HAS_RANDOM_SHUFFLE
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_npctransport.IMP_COMPILER_HAS_THREE_WAY
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_KERNEL_HAS_BOOST_RANDOM
171 IMP_KERNEL_HAS_NUMPY = _IMP_npctransport.IMP_KERNEL_HAS_NUMPY
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_KERNEL_HAS_BOOST_SYSTEM
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_npctransport.IMP_KERNEL_HAS_GPERFTOOLS
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
181 IMPKERNEL_SHOW_WARNINGS = _IMP_npctransport.IMPKERNEL_SHOW_WARNINGS
185 class _DirectorObjects:
186 """@internal Simple class to keep references to director objects
187 to prevent premature deletion."""
190 def register(self, obj):
191 """Take a reference to a director object; will only work for
192 refcounted C++ classes"""
193 if hasattr(obj,
'get_ref_count'):
194 self._objects.append(obj)
196 """Only drop our reference and allow cleanup by Python if no other
197 Python references exist (we hold 3 references: one in self._objects,
198 one in x, and one in the argument list for getrefcount) *and* no
199 other C++ references exist (the Python object always holds one)"""
200 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
201 or x.get_ref_count() > 1]
205 def get_object_count(self):
206 """Get number of director objects (useful for testing only)"""
207 return len(self._objects)
208 _director_objects = _DirectorObjects()
210 class _ostream(object):
211 r"""Proxy of C++ std::ostream class."""
213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
215 def __init__(self, *args, **kwargs):
216 raise AttributeError(
"No constructor defined")
217 __repr__ = _swig_repr
219 def write(self, osa_buf):
220 r"""write(_ostream self, char const * osa_buf)"""
221 return _IMP_npctransport._ostream_write(self, osa_buf)
224 _IMP_npctransport._ostream_swigregister(_ostream)
225 IMP_C_OPEN_BINARY = _IMP_npctransport.IMP_C_OPEN_BINARY
228 IMP_BENCHMARK_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_FILESYSTEM
230 IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS
232 IMP_BENCHMARK_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_RANDOM
234 IMP_BENCHMARK_HAS_NUMPY = _IMP_npctransport.IMP_BENCHMARK_HAS_NUMPY
236 IMPBENCHMARK_SHOW_WARNINGS = _IMP_npctransport.IMPBENCHMARK_SHOW_WARNINGS
239 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_FILESYSTEM
241 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
243 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_RANDOM
245 IMP_CGAL_HAS_NUMPY = _IMP_npctransport.IMP_CGAL_HAS_NUMPY
247 IMPCGAL_SHOW_WARNINGS = _IMP_npctransport.IMPCGAL_SHOW_WARNINGS
250 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_IMP_CGAL
252 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
254 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
256 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_RANDOM
258 IMP_ALGEBRA_HAS_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_CGAL
260 IMP_ALGEBRA_HAS_NUMPY = _IMP_npctransport.IMP_ALGEBRA_HAS_NUMPY
262 IMP_ALGEBRA_HAS_ANN = _IMP_npctransport.IMP_ALGEBRA_HAS_ANN
264 IMPALGEBRA_SHOW_WARNINGS = _IMP_npctransport.IMPALGEBRA_SHOW_WARNINGS
267 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_IMP_CGAL
269 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
271 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
273 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_RANDOM
275 IMP_DISPLAY_HAS_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_CGAL
277 IMP_DISPLAY_HAS_NUMPY = _IMP_npctransport.IMP_DISPLAY_HAS_NUMPY
279 IMPDISPLAY_SHOW_WARNINGS = _IMP_npctransport.IMPDISPLAY_SHOW_WARNINGS
282 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
284 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
286 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
288 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
290 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_CGAL
292 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_HDF5
294 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_NUMPY
296 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_npctransport.IMPSCOREFUNCTOR_SHOW_WARNINGS
299 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_IMP_CGAL
301 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
303 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
305 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_RANDOM
307 IMP_STATISTICS_HAS_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_CGAL
309 IMP_STATISTICS_HAS_NUMPY = _IMP_npctransport.IMP_STATISTICS_HAS_NUMPY
311 IMPSTATISTICS_SHOW_WARNINGS = _IMP_npctransport.IMPSTATISTICS_SHOW_WARNINGS
314 IMP_CORE_HAS_IMP_CGAL = _IMP_npctransport.IMP_CORE_HAS_IMP_CGAL
316 IMP_CORE_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CORE_HAS_IMP_KERNEL
318 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_FILESYSTEM
320 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
322 IMP_CORE_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CORE_HAS_BOOST_RANDOM
324 IMP_CORE_HAS_CGAL = _IMP_npctransport.IMP_CORE_HAS_CGAL
326 IMP_CORE_HAS_HDF5 = _IMP_npctransport.IMP_CORE_HAS_HDF5
328 IMP_CORE_HAS_NUMPY = _IMP_npctransport.IMP_CORE_HAS_NUMPY
330 IMPCORE_SHOW_WARNINGS = _IMP_npctransport.IMPCORE_SHOW_WARNINGS
333 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_ALGEBRA
335 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_CGAL
337 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_DISPLAY
339 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_KERNEL
341 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
343 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
345 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
347 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_RANDOM
349 IMP_CONTAINER_HAS_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_CGAL
351 IMP_CONTAINER_HAS_HDF5 = _IMP_npctransport.IMP_CONTAINER_HAS_HDF5
353 IMP_CONTAINER_HAS_NUMPY = _IMP_npctransport.IMP_CONTAINER_HAS_NUMPY
355 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_npctransport.IMP_CONTAINER_HAS_PYTHON_IHM
357 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
359 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_ROBIN_MAP
361 IMPCONTAINER_SHOW_WARNINGS = _IMP_npctransport.IMPCONTAINER_SHOW_WARNINGS
364 IMP_ATOM_HAS_IMP_CGAL = _IMP_npctransport.IMP_ATOM_HAS_IMP_CGAL
366 IMP_ATOM_HAS_IMP_KERNEL = _IMP_npctransport.IMP_ATOM_HAS_IMP_KERNEL
368 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
370 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
372 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_RANDOM
374 IMP_ATOM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ATOM_HAS_BOOST_REGEX
376 IMP_ATOM_HAS_CGAL = _IMP_npctransport.IMP_ATOM_HAS_CGAL
378 IMP_ATOM_HAS_HDF5 = _IMP_npctransport.IMP_ATOM_HAS_HDF5
380 IMP_ATOM_HAS_NUMPY = _IMP_npctransport.IMP_ATOM_HAS_NUMPY
382 IMP_ATOM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ATOM_HAS_PYTHON_IHM
384 IMPATOM_SHOW_WARNINGS = _IMP_npctransport.IMPATOM_SHOW_WARNINGS
386 IMP_ATOM_TYPE_INDEX = _IMP_npctransport.IMP_ATOM_TYPE_INDEX
388 IMP_RESIDUE_TYPE_INDEX = _IMP_npctransport.IMP_RESIDUE_TYPE_INDEX
390 IMP_HIERARCHY_TYPE_INDEX = _IMP_npctransport.IMP_HIERARCHY_TYPE_INDEX
392 IMP_CHAIN_TYPE_INDEX = _IMP_npctransport.IMP_CHAIN_TYPE_INDEX
395 IMP_EM_HAS_IMP_CGAL = _IMP_npctransport.IMP_EM_HAS_IMP_CGAL
397 IMP_EM_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_EM_HAS_IMP_CONTAINER
399 IMP_EM_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_EM_HAS_IMP_DISPLAY
401 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_EM_HAS_IMP_SCORE_FUNCTOR
403 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_EM_HAS_BOOST_FILESYSTEM
405 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
407 IMP_EM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_EM_HAS_BOOST_RANDOM
409 IMP_EM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_EM_HAS_BOOST_REGEX
411 IMP_EM_HAS_CGAL = _IMP_npctransport.IMP_EM_HAS_CGAL
413 IMP_EM_HAS_HDF5 = _IMP_npctransport.IMP_EM_HAS_HDF5
415 IMP_EM_HAS_NUMPY = _IMP_npctransport.IMP_EM_HAS_NUMPY
417 IMP_EM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_EM_HAS_PYTHON_IHM
419 IMPEM_SHOW_WARNINGS = _IMP_npctransport.IMPEM_SHOW_WARNINGS
422 IMP_SAXS_HAS_IMP_CGAL = _IMP_npctransport.IMP_SAXS_HAS_IMP_CGAL
424 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_SAXS_HAS_IMP_CONTAINER
426 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_SAXS_HAS_IMP_DISPLAY
428 IMP_SAXS_HAS_IMP_KERNEL = _IMP_npctransport.IMP_SAXS_HAS_IMP_KERNEL
430 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
432 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_FILESYSTEM
434 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
436 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_RANDOM
438 IMP_SAXS_HAS_BOOST_REGEX = _IMP_npctransport.IMP_SAXS_HAS_BOOST_REGEX
440 IMP_SAXS_HAS_CGAL = _IMP_npctransport.IMP_SAXS_HAS_CGAL
442 IMP_SAXS_HAS_HDF5 = _IMP_npctransport.IMP_SAXS_HAS_HDF5
444 IMP_SAXS_HAS_NUMPY = _IMP_npctransport.IMP_SAXS_HAS_NUMPY
446 IMP_SAXS_HAS_PYTHON_IHM = _IMP_npctransport.IMP_SAXS_HAS_PYTHON_IHM
448 IMPSAXS_SHOW_WARNINGS = _IMP_npctransport.IMPSAXS_SHOW_WARNINGS
451 IMP_ISD_HAS_IMP_CGAL = _IMP_npctransport.IMP_ISD_HAS_IMP_CGAL
453 IMP_ISD_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_ISD_HAS_IMP_DISPLAY
455 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
457 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ISD_HAS_BOOST_FILESYSTEM
459 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
461 IMP_ISD_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ISD_HAS_BOOST_RANDOM
463 IMP_ISD_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ISD_HAS_BOOST_REGEX
465 IMP_ISD_HAS_CGAL = _IMP_npctransport.IMP_ISD_HAS_CGAL
467 IMP_ISD_HAS_HDF5 = _IMP_npctransport.IMP_ISD_HAS_HDF5
469 IMP_ISD_HAS_NUMPY = _IMP_npctransport.IMP_ISD_HAS_NUMPY
471 IMP_ISD_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ISD_HAS_PYTHON_IHM
473 IMPISD_SHOW_WARNINGS = _IMP_npctransport.IMPISD_SHOW_WARNINGS
476 IMP_RMF_HAS_IMP_CGAL = _IMP_npctransport.IMP_RMF_HAS_IMP_CGAL
478 IMP_RMF_HAS_IMP_EM = _IMP_npctransport.IMP_RMF_HAS_IMP_EM
480 IMP_RMF_HAS_IMP_SAXS = _IMP_npctransport.IMP_RMF_HAS_IMP_SAXS
482 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
484 IMP_RMF_HAS_IMP_STATISTICS = _IMP_npctransport.IMP_RMF_HAS_IMP_STATISTICS
486 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_FILESYSTEM
488 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
490 IMP_RMF_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_RMF_HAS_BOOST_RANDOM
492 IMP_RMF_HAS_BOOST_REGEX = _IMP_npctransport.IMP_RMF_HAS_BOOST_REGEX
494 IMP_RMF_HAS_CGAL = _IMP_npctransport.IMP_RMF_HAS_CGAL
496 IMP_RMF_HAS_HDF5 = _IMP_npctransport.IMP_RMF_HAS_HDF5
498 IMP_RMF_HAS_NUMPY = _IMP_npctransport.IMP_RMF_HAS_NUMPY
500 IMP_RMF_HAS_PYTHON_IHM = _IMP_npctransport.IMP_RMF_HAS_PYTHON_IHM
502 IMPRMF_SHOW_WARNINGS = _IMP_npctransport.IMPRMF_SHOW_WARNINGS
506 IMP_NPCTRANSPORT_HAS_IMP_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_CGAL
508 IMP_NPCTRANSPORT_HAS_IMP_EM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_EM
510 IMP_NPCTRANSPORT_HAS_IMP_ISD = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_ISD
512 IMP_NPCTRANSPORT_HAS_IMP_SAXS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_SAXS
514 IMP_NPCTRANSPORT_HAS_ABSEIL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_ABSEIL
516 IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM
518 IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS
520 IMP_NPCTRANSPORT_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_RANDOM
522 IMP_NPCTRANSPORT_HAS_BOOST_REGEX = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_REGEX
524 IMP_NPCTRANSPORT_HAS_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_CGAL
526 IMP_NPCTRANSPORT_HAS_HDF5 = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_HDF5
528 IMP_NPCTRANSPORT_HAS_NUMPY = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_NUMPY
530 IMP_NPCTRANSPORT_HAS_PYTHON_IHM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_PYTHON_IHM
532 IMPNPCTRANSPORT_SHOW_WARNINGS = _IMP_npctransport.IMPNPCTRANSPORT_SHOW_WARNINGS
535 _object_types.append(
"SitesPairScore")
538 def _object_cast_to_SitesPairScore(o):
539 r"""_object_cast_to_SitesPairScore(Object o) -> SitesPairScore"""
540 return _IMP_npctransport._object_cast_to_SitesPairScore(o)
542 _object_types.append(
"Scoring")
545 def _object_cast_to_Scoring(o):
546 r"""_object_cast_to_Scoring(Object o) -> Scoring"""
547 return _IMP_npctransport._object_cast_to_Scoring(o)
549 _object_types.append(
"BrownianDynamicsTAMDWithSlabSupport")
552 def _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o):
553 r"""_object_cast_to_BrownianDynamicsTAMDWithSlabSupport(Object o) -> BrownianDynamicsTAMDWithSlabSupport"""
554 return _IMP_npctransport._object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
556 _object_types.append(
"Statistics")
559 def _object_cast_to_Statistics(o):
560 r"""_object_cast_to_Statistics(Object o) -> Statistics"""
561 return _IMP_npctransport._object_cast_to_Statistics(o)
563 _object_types.append(
"SimulationData")
566 def _object_cast_to_SimulationData(o):
567 r"""_object_cast_to_SimulationData(Object o) -> SimulationData"""
568 return _IMP_npctransport._object_cast_to_SimulationData(o)
570 _object_types.append(
"SitesGeometry")
573 def _object_cast_to_SitesGeometry(o):
574 r"""_object_cast_to_SitesGeometry(Object o) -> SitesGeometry"""
575 return _IMP_npctransport._object_cast_to_SitesGeometry(o)
577 _object_types.append(
"TypedSitesGeometry")
580 def _object_cast_to_TypedSitesGeometry(o):
581 r"""_object_cast_to_TypedSitesGeometry(Object o) -> TypedSitesGeometry"""
582 return _IMP_npctransport._object_cast_to_TypedSitesGeometry(o)
584 _object_types.append(
"SlabWithCylindricalPorePairScore")
587 def _object_cast_to_SlabWithCylindricalPorePairScore(o):
588 r"""_object_cast_to_SlabWithCylindricalPorePairScore(Object o) -> SlabWithCylindricalPorePairScore"""
589 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPorePairScore(o)
591 _object_types.append(
"SlabWithToroidalPorePairScore")
594 def _object_cast_to_SlabWithToroidalPorePairScore(o):
595 r"""_object_cast_to_SlabWithToroidalPorePairScore(Object o) -> SlabWithToroidalPorePairScore"""
596 return _IMP_npctransport._object_cast_to_SlabWithToroidalPorePairScore(o)
598 _object_types.append(
"PoreRadiusSingletonScore")
601 def _object_cast_to_PoreRadiusSingletonScore(o):
602 r"""_object_cast_to_PoreRadiusSingletonScore(Object o) -> PoreRadiusSingletonScore"""
603 return _IMP_npctransport._object_cast_to_PoreRadiusSingletonScore(o)
605 _object_types.append(
"ExcludeZRangeSingletonScore")
608 def _object_cast_to_ExcludeZRangeSingletonScore(o):
609 r"""_object_cast_to_ExcludeZRangeSingletonScore(Object o) -> ExcludeZRangeSingletonScore"""
610 return _IMP_npctransport._object_cast_to_ExcludeZRangeSingletonScore(o)
612 _object_types.append(
"ZBiasSingletonScore")
615 def _object_cast_to_ZBiasSingletonScore(o):
616 r"""_object_cast_to_ZBiasSingletonScore(Object o) -> ZBiasSingletonScore"""
617 return _IMP_npctransport._object_cast_to_ZBiasSingletonScore(o)
619 _object_types.append(
"SlabWithCylindricalPoreWireGeometry")
622 def _object_cast_to_SlabWithCylindricalPoreWireGeometry(o):
623 r"""_object_cast_to_SlabWithCylindricalPoreWireGeometry(Object o) -> SlabWithCylindricalPoreWireGeometry"""
624 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
626 _object_types.append(
"SlabWithCylindricalPoreSurfaceGeometry")
629 def _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o):
630 r"""_object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(Object o) -> SlabWithCylindricalPoreSurfaceGeometry"""
631 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
633 _object_types.append(
"SlabWithToroidalPoreWireGeometry")
636 def _object_cast_to_SlabWithToroidalPoreWireGeometry(o):
637 r"""_object_cast_to_SlabWithToroidalPoreWireGeometry(Object o) -> SlabWithToroidalPoreWireGeometry"""
638 return _IMP_npctransport._object_cast_to_SlabWithToroidalPoreWireGeometry(o)
640 _object_types.append(
"LinearSoftSpherePairScore")
643 def _object_cast_to_LinearSoftSpherePairScore(o):
644 r"""_object_cast_to_LinearSoftSpherePairScore(Object o) -> LinearSoftSpherePairScore"""
645 return _IMP_npctransport._object_cast_to_LinearSoftSpherePairScore(o)
647 _object_types.append(
"FunctorLinearSoftSpherePairScore")
650 def _object_cast_to_FunctorLinearSoftSpherePairScore(o):
651 r"""_object_cast_to_FunctorLinearSoftSpherePairScore(Object o) -> FunctorLinearSoftSpherePairScore"""
652 return _IMP_npctransport._object_cast_to_FunctorLinearSoftSpherePairScore(o)
654 _object_types.append(
"LinearInteractionPairScore")
657 def _object_cast_to_LinearInteractionPairScore(o):
658 r"""_object_cast_to_LinearInteractionPairScore(Object o) -> LinearInteractionPairScore"""
659 return _IMP_npctransport._object_cast_to_LinearInteractionPairScore(o)
661 _object_types.append(
"FunctorLinearInteractionPairScore")
664 def _object_cast_to_FunctorLinearInteractionPairScore(o):
665 r"""_object_cast_to_FunctorLinearInteractionPairScore(Object o) -> FunctorLinearInteractionPairScore"""
666 return _IMP_npctransport._object_cast_to_FunctorLinearInteractionPairScore(o)
668 _object_types.append(
"LinearWellPairScore")
671 def _object_cast_to_LinearWellPairScore(o):
672 r"""_object_cast_to_LinearWellPairScore(Object o) -> LinearWellPairScore"""
673 return _IMP_npctransport._object_cast_to_LinearWellPairScore(o)
675 _object_types.append(
"HarmonicSpringSingletonScore")
678 def _object_cast_to_HarmonicSpringSingletonScore(o):
679 r"""_object_cast_to_HarmonicSpringSingletonScore(Object o) -> HarmonicSpringSingletonScore"""
680 return _IMP_npctransport._object_cast_to_HarmonicSpringSingletonScore(o)
682 _object_types.append(
"HierarchyWithSitesSaveLink")
685 def _object_cast_to_HierarchyWithSitesSaveLink(o):
686 r"""_object_cast_to_HierarchyWithSitesSaveLink(Object o) -> HierarchyWithSitesSaveLink"""
687 return _IMP_npctransport._object_cast_to_HierarchyWithSitesSaveLink(o)
689 _object_types.append(
"HierarchyWithSitesLoadLink")
692 def _object_cast_to_HierarchyWithSitesLoadLink(o):
693 r"""_object_cast_to_HierarchyWithSitesLoadLink(Object o) -> HierarchyWithSitesLoadLink"""
694 return _IMP_npctransport._object_cast_to_HierarchyWithSitesLoadLink(o)
696 _object_types.append(
"ChainStatisticsOptimizerState")
699 def _object_cast_to_ChainStatisticsOptimizerState(o):
700 r"""_object_cast_to_ChainStatisticsOptimizerState(Object o) -> ChainStatisticsOptimizerState"""
701 return _IMP_npctransport._object_cast_to_ChainStatisticsOptimizerState(o)
703 _object_types.append(
"BodyStatisticsOptimizerState")
706 def _object_cast_to_BodyStatisticsOptimizerState(o):
707 r"""_object_cast_to_BodyStatisticsOptimizerState(Object o) -> BodyStatisticsOptimizerState"""
708 return _IMP_npctransport._object_cast_to_BodyStatisticsOptimizerState(o)
710 _object_types.append(
"BipartitePairsStatisticsOptimizerState")
713 def _object_cast_to_BipartitePairsStatisticsOptimizerState(o):
714 r"""_object_cast_to_BipartitePairsStatisticsOptimizerState(Object o) -> BipartitePairsStatisticsOptimizerState"""
715 return _IMP_npctransport._object_cast_to_BipartitePairsStatisticsOptimizerState(o)
717 _object_types.append(
"ParticleTransportStatisticsOptimizerState")
720 def _object_cast_to_ParticleTransportStatisticsOptimizerState(o):
721 r"""_object_cast_to_ParticleTransportStatisticsOptimizerState(Object o) -> ParticleTransportStatisticsOptimizerState"""
722 return _IMP_npctransport._object_cast_to_ParticleTransportStatisticsOptimizerState(o)
724 _object_types.append(
"FGChain")
727 def _object_cast_to_FGChain(o):
728 r"""_object_cast_to_FGChain(Object o) -> FGChain"""
729 return _IMP_npctransport._object_cast_to_FGChain(o)
731 _object_types.append(
"ParticleFactory")
734 def _object_cast_to_ParticleFactory(o):
735 r"""_object_cast_to_ParticleFactory(Object o) -> ParticleFactory"""
736 return _IMP_npctransport._object_cast_to_ParticleFactory(o)
739 _plural_types.append(
"Avro2PBReaders")
740 _value_types.append(
"Avro2PBReader")
743 SitesPairScoreParametersList=list
744 _plural_types.append(
"SitesPairScoreParametersList")
745 _value_types.append(
"SitesPairScoreParameters")
748 def Transportings(l=[]):
749 return [Transporting(x)
for x
in l]
750 _plural_types.append(
"Transportings")
753 _value_types.append(
"Transporting")
756 def SlabWithPores(l=[]):
757 return [SlabWithPore(x)
for x
in l]
758 _plural_types.append(
"SlabWithPores")
761 _value_types.append(
"SlabWithPore")
764 def SlabWithCylindricalPores(l=[]):
765 return [SlabWithCylindricalPore(x)
for x
in l]
766 _plural_types.append(
"SlabWithCylindricalPores")
769 _value_types.append(
"SlabWithCylindricalPore")
772 def RelaxingSprings(l=[]):
773 return [RelaxingSpring(x)
for x
in l]
774 _plural_types.append(
"RelaxingSprings")
777 _value_types.append(
"RelaxingSpring")
780 def SlabWithToroidalPores(l=[]):
781 return [SlabWithToroidalPore(x)
for x
in l]
782 _plural_types.append(
"SlabWithToroidalPores")
785 _value_types.append(
"SlabWithToroidalPore")
787 class _DoubleParameter(object):
788 r"""Proxy of C++ IMP::npctransport::Parameter< double > class."""
790 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
791 __repr__ = _swig_repr
793 def __init__(self, *args):
795 __init__(_DoubleParameter self) -> _DoubleParameter
796 __init__(_DoubleParameter self, double t) -> _DoubleParameter
798 _IMP_npctransport._DoubleParameter_swiginit(self, _IMP_npctransport.new__DoubleParameter(*args))
801 r"""get_value(_DoubleParameter self) -> double"""
802 return _IMP_npctransport._DoubleParameter_get_value(self)
805 r"""is_init(_DoubleParameter self) -> bool"""
806 return _IMP_npctransport._DoubleParameter_is_init(self)
807 __swig_destroy__ = _IMP_npctransport.delete__DoubleParameter
810 _IMP_npctransport._DoubleParameter_swigregister(_DoubleParameter)
811 class _IntParameter(object):
812 r"""Proxy of C++ IMP::npctransport::Parameter< int > class."""
814 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
815 __repr__ = _swig_repr
817 def __init__(self, *args):
819 __init__(_IntParameter self) -> _IntParameter
820 __init__(_IntParameter self, int t) -> _IntParameter
822 _IMP_npctransport._IntParameter_swiginit(self, _IMP_npctransport.new__IntParameter(*args))
825 r"""get_value(_IntParameter self) -> int"""
826 return _IMP_npctransport._IntParameter_get_value(self)
829 r"""is_init(_IntParameter self) -> bool"""
830 return _IMP_npctransport._IntParameter_is_init(self)
831 __swig_destroy__ = _IMP_npctransport.delete__IntParameter
834 _IMP_npctransport._IntParameter_swigregister(_IntParameter)
835 class _BoolParameter(object):
836 r"""Proxy of C++ IMP::npctransport::Parameter< bool > class."""
838 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
839 __repr__ = _swig_repr
841 def __init__(self, *args):
843 __init__(_BoolParameter self) -> _BoolParameter
844 __init__(_BoolParameter self, bool t) -> _BoolParameter
846 _IMP_npctransport._BoolParameter_swiginit(self, _IMP_npctransport.new__BoolParameter(*args))
849 r"""get_value(_BoolParameter self) -> bool"""
850 return _IMP_npctransport._BoolParameter_get_value(self)
853 r"""is_init(_BoolParameter self) -> bool"""
854 return _IMP_npctransport._BoolParameter_is_init(self)
855 __swig_destroy__ = _IMP_npctransport.delete__BoolParameter
858 _IMP_npctransport._BoolParameter_swigregister(_BoolParameter)
861 r"""make_ordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
862 return _IMP_npctransport.make_ordered_interaction_type(t0, t1)
865 r"""make_unordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
866 return _IMP_npctransport.make_unordered_interaction_type(t0, t1)
870 make_unordered_particle_index_pair(ParticleIndex pi0, ParticleIndex pi1) -> IMP::ParticleIndexPair
871 make_unordered_particle_index_pair(IMP::ParticleIndexPair pip) -> IMP::ParticleIndexPair
873 return _IMP_npctransport.make_unordered_particle_index_pair(*args)
875 r"""Proxy of C++ IMP::npctransport::LinearSoftSpherePairScore class."""
877 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
879 def __init__(self, *args):
880 r"""__init__(LinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> LinearSoftSpherePairScore"""
881 _IMP_npctransport.LinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_LinearSoftSpherePairScore(*args))
883 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
884 r"""evaluate_indexes(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexPairs const & pips, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
885 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
887 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
888 r"""evaluate_if_good_indexes(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
889 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
891 def do_get_inputs(self, m, pis):
892 r"""do_get_inputs(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
893 return _IMP_npctransport.LinearSoftSpherePairScore_do_get_inputs(self, m, pis)
896 r"""get_k(LinearSoftSpherePairScore self) -> double"""
897 return _IMP_npctransport.LinearSoftSpherePairScore_get_k(self)
899 def get_version_info(self):
900 r"""get_version_info(LinearSoftSpherePairScore self) -> VersionInfo"""
901 return _IMP_npctransport.LinearSoftSpherePairScore_get_version_info(self)
902 __swig_destroy__ = _IMP_npctransport.delete_LinearSoftSpherePairScore
905 r"""__str__(LinearSoftSpherePairScore self) -> std::string"""
906 return _IMP_npctransport.LinearSoftSpherePairScore___str__(self)
909 r"""__repr__(LinearSoftSpherePairScore self) -> std::string"""
910 return _IMP_npctransport.LinearSoftSpherePairScore___repr__(self)
914 return _object_cast_to_LinearSoftSpherePairScore(o)
918 _IMP_npctransport.LinearSoftSpherePairScore_swigregister(LinearSoftSpherePairScore)
920 r"""Proxy of C++ IMP::npctransport::LinearInteractionPairScore class."""
922 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
924 def __init__(self, *args):
925 r"""__init__(LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr, std::string name="LinearIDPairScore%1%") -> LinearInteractionPairScore"""
926 _IMP_npctransport.LinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_LinearInteractionPairScore(*args))
928 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
929 r"""evaluate_indexes(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPairs const & pips, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
930 return _IMP_npctransport.LinearInteractionPairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
932 def evaluate_if_good_index(self, *args):
934 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPair const & p, DerivativeAccumulator da, double max) -> double
935 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
937 return _IMP_npctransport.LinearInteractionPairScore_evaluate_if_good_index(self, *args)
939 def do_get_inputs(self, m, pis):
940 r"""do_get_inputs(LinearInteractionPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
941 return _IMP_npctransport.LinearInteractionPairScore_do_get_inputs(self, m, pis)
943 def get_range_attraction(self):
944 r"""get_range_attraction(LinearInteractionPairScore self) -> double"""
945 return _IMP_npctransport.LinearInteractionPairScore_get_range_attraction(self)
947 def get_k_attraction(self):
948 r"""get_k_attraction(LinearInteractionPairScore self) -> double"""
949 return _IMP_npctransport.LinearInteractionPairScore_get_k_attraction(self)
951 def set_k_attraction(self, k_attr):
952 r"""set_k_attraction(LinearInteractionPairScore self, double k_attr)"""
953 return _IMP_npctransport.LinearInteractionPairScore_set_k_attraction(self, k_attr)
955 def get_k_repulsion(self):
956 r"""get_k_repulsion(LinearInteractionPairScore self) -> double"""
957 return _IMP_npctransport.LinearInteractionPairScore_get_k_repulsion(self)
959 def set_k_repulsion(self, k_rep):
960 r"""set_k_repulsion(LinearInteractionPairScore self, double k_rep)"""
961 return _IMP_npctransport.LinearInteractionPairScore_set_k_repulsion(self, k_rep)
963 def get_version_info(self):
964 r"""get_version_info(LinearInteractionPairScore self) -> VersionInfo"""
965 return _IMP_npctransport.LinearInteractionPairScore_get_version_info(self)
966 __swig_destroy__ = _IMP_npctransport.delete_LinearInteractionPairScore
969 r"""__str__(LinearInteractionPairScore self) -> std::string"""
970 return _IMP_npctransport.LinearInteractionPairScore___str__(self)
973 r"""__repr__(LinearInteractionPairScore self) -> std::string"""
974 return _IMP_npctransport.LinearInteractionPairScore___repr__(self)
978 return _object_cast_to_LinearInteractionPairScore(o)
982 _IMP_npctransport.LinearInteractionPairScore_swigregister(LinearInteractionPairScore)
984 r"""Proxy of C++ IMP::npctransport::LinearWellPairScore class."""
986 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
988 def __init__(self, *args):
989 r"""__init__(LinearWellPairScore self, double rest_length_factor, double k, std::string name="LinearIDPairScore%1%") -> LinearWellPairScore"""
990 _IMP_npctransport.LinearWellPairScore_swiginit(self, _IMP_npctransport.new_LinearWellPairScore(*args))
992 def set_rest_length_factor(self, rest_length_factor):
993 r"""set_rest_length_factor(LinearWellPairScore self, double rest_length_factor)"""
994 return _IMP_npctransport.LinearWellPairScore_set_rest_length_factor(self, rest_length_factor)
996 def get_rest_length_factor(self):
997 r"""get_rest_length_factor(LinearWellPairScore self) -> double"""
998 return _IMP_npctransport.LinearWellPairScore_get_rest_length_factor(self)
1001 r"""set_k(LinearWellPairScore self, double k)"""
1002 return _IMP_npctransport.LinearWellPairScore_set_k(self, k)
1005 r"""get_k(LinearWellPairScore self) -> double"""
1006 return _IMP_npctransport.LinearWellPairScore_get_k(self)
1008 def do_get_inputs(self, m, pis):
1009 r"""do_get_inputs(LinearWellPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1010 return _IMP_npctransport.LinearWellPairScore_do_get_inputs(self, m, pis)
1012 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1013 r"""evaluate_indexes(LinearWellPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1014 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1016 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1017 r"""evaluate_indexes_scores(LinearWellPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
1018 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1020 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1021 r"""evaluate_indexes_delta(LinearWellPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
1022 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1024 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1025 r"""evaluate_if_good_indexes(LinearWellPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1026 return _IMP_npctransport.LinearWellPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1028 def get_version_info(self):
1029 r"""get_version_info(LinearWellPairScore self) -> VersionInfo"""
1030 return _IMP_npctransport.LinearWellPairScore_get_version_info(self)
1031 __swig_destroy__ = _IMP_npctransport.delete_LinearWellPairScore
1034 r"""__str__(LinearWellPairScore self) -> std::string"""
1035 return _IMP_npctransport.LinearWellPairScore___str__(self)
1038 r"""__repr__(LinearWellPairScore self) -> std::string"""
1039 return _IMP_npctransport.LinearWellPairScore___repr__(self)
1043 return _object_cast_to_LinearWellPairScore(o)
1047 _IMP_npctransport.LinearWellPairScore_swigregister(LinearWellPairScore)
1049 r"""Proxy of C++ IMP::npctransport::RelaxingSpring class."""
1051 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1053 def __init__(self, *args):
1055 __init__(RelaxingSpring self) -> RelaxingSpring
1056 __init__(RelaxingSpring self, Model m, ParticleIndex id) -> RelaxingSpring
1057 __init__(RelaxingSpring self, _ParticleAdaptor d) -> RelaxingSpring
1059 _IMP_npctransport.RelaxingSpring_swiginit(self, _IMP_npctransport.new_RelaxingSpring(*args))
1061 def show(self, *args):
1062 r"""show(RelaxingSpring self, _ostream out=std::cout)"""
1063 return _IMP_npctransport.RelaxingSpring_show(self, *args)
1066 def setup_particle(*args):
1068 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1069 setup_particle(_ParticleAdaptor pa, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1071 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
1074 def get_is_setup(*args):
1076 get_is_setup(_ParticleAdaptor p) -> bool
1077 get_is_setup(Model m, ParticleIndex pi) -> bool
1079 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1082 def get_bonded_particle_0_key():
1083 r"""get_bonded_particle_0_key() -> ParticleIndexKey"""
1084 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1087 def get_bonded_particle_1_key():
1088 r"""get_bonded_particle_1_key() -> ParticleIndexKey"""
1089 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1092 def get_equilibrium_rest_length_factor_key():
1093 r"""get_equilibrium_rest_length_factor_key() -> FloatKey"""
1094 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1097 def get_rest_length_key():
1098 r"""get_rest_length_key() -> FloatKey"""
1099 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1102 def get_rest_length_diffusion_coefficient_key():
1103 r"""get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1104 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1106 def get_bonded_particle_0(self):
1107 r"""get_bonded_particle_0(RelaxingSpring self) -> Particle"""
1108 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0(self)
1110 def get_bonded_particle_1(self):
1111 r"""get_bonded_particle_1(RelaxingSpring self) -> Particle"""
1112 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1(self)
1114 def get_bonded_particle_index_0(self):
1115 r"""get_bonded_particle_index_0(RelaxingSpring self) -> ParticleIndex"""
1116 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_0(self)
1118 def get_bonded_particle_index_1(self):
1119 r"""get_bonded_particle_index_1(RelaxingSpring self) -> ParticleIndex"""
1120 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_1(self)
1122 def get_equilibrium_rest_length_factor(self):
1123 r"""get_equilibrium_rest_length_factor(RelaxingSpring self) -> IMP::Float"""
1124 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor(self)
1126 def set_equilibrium_rest_length_factor(self, t):
1127 r"""set_equilibrium_rest_length_factor(RelaxingSpring self, IMP::Float t)"""
1128 return _IMP_npctransport.RelaxingSpring_set_equilibrium_rest_length_factor(self, t)
1130 def get_rest_length(self):
1131 r"""get_rest_length(RelaxingSpring self) -> IMP::Float"""
1132 return _IMP_npctransport.RelaxingSpring_get_rest_length(self)
1134 def set_rest_length(self, t):
1135 r"""set_rest_length(RelaxingSpring self, IMP::Float t)"""
1136 return _IMP_npctransport.RelaxingSpring_set_rest_length(self, t)
1138 def get_rest_length_diffusion_coefficient(self):
1139 r"""get_rest_length_diffusion_coefficient(RelaxingSpring self) -> IMP::Float"""
1140 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient(self)
1142 def set_rest_length_diffusion_coefficient(self, t):
1143 r"""set_rest_length_diffusion_coefficient(RelaxingSpring self, IMP::Float t)"""
1144 return _IMP_npctransport.RelaxingSpring_set_rest_length_diffusion_coefficient(self, t)
1146 def add_to_rest_length_derivative(self, d, da):
1147 r"""add_to_rest_length_derivative(RelaxingSpring self, double d, DerivativeAccumulator da)"""
1148 return _IMP_npctransport.RelaxingSpring_add_to_rest_length_derivative(self, d, da)
1150 def get_rest_length_derivative(self):
1151 r"""get_rest_length_derivative(RelaxingSpring self) -> double"""
1152 return _IMP_npctransport.RelaxingSpring_get_rest_length_derivative(self)
1154 def add_attribute(self, *args):
1156 add_attribute(RelaxingSpring self, FloatKey k, IMP::Float v, bool opt)
1157 add_attribute(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1158 add_attribute(RelaxingSpring self, IntKey a0, IMP::Int a1)
1159 add_attribute(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1160 add_attribute(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1161 add_attribute(RelaxingSpring self, StringKey a0, IMP::String a1)
1162 add_attribute(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1163 add_attribute(RelaxingSpring self, ObjectKey a0, Object a1)
1164 add_attribute(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1165 add_attribute(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1166 add_attribute(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1167 add_attribute(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1169 return _IMP_npctransport.RelaxingSpring_add_attribute(self, *args)
1171 def get_value(self, *args):
1173 get_value(RelaxingSpring self, FloatKey a0) -> IMP::Float
1174 get_value(RelaxingSpring self, IntKey a0) -> IMP::Int
1175 get_value(RelaxingSpring self, FloatsKey a0) -> IMP::Floats
1176 get_value(RelaxingSpring self, IntsKey a0) -> IMP::Ints
1177 get_value(RelaxingSpring self, StringKey a0) -> IMP::String
1178 get_value(RelaxingSpring self, ParticleIndexKey a0) -> Particle
1179 get_value(RelaxingSpring self, ObjectKey a0) -> Object
1180 get_value(RelaxingSpring self, SparseFloatKey a0) -> IMP::Float
1181 get_value(RelaxingSpring self, SparseIntKey a0) -> IMP::Int
1182 get_value(RelaxingSpring self, SparseStringKey a0) -> IMP::String
1183 get_value(RelaxingSpring self, SparseParticleIndexKey a0) -> ParticleIndex
1185 return _IMP_npctransport.RelaxingSpring_get_value(self, *args)
1187 def set_value(self, *args):
1189 set_value(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1190 set_value(RelaxingSpring self, IntKey a0, IMP::Int a1)
1191 set_value(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1192 set_value(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1193 set_value(RelaxingSpring self, StringKey a0, IMP::String a1)
1194 set_value(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1195 set_value(RelaxingSpring self, ObjectKey a0, Object a1)
1196 set_value(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1197 set_value(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1198 set_value(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1199 set_value(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1201 return _IMP_npctransport.RelaxingSpring_set_value(self, *args)
1203 def remove_attribute(self, *args):
1205 remove_attribute(RelaxingSpring self, FloatKey a0)
1206 remove_attribute(RelaxingSpring self, IntKey a0)
1207 remove_attribute(RelaxingSpring self, FloatsKey a0)
1208 remove_attribute(RelaxingSpring self, IntsKey a0)
1209 remove_attribute(RelaxingSpring self, StringKey a0)
1210 remove_attribute(RelaxingSpring self, ParticleIndexKey a0)
1211 remove_attribute(RelaxingSpring self, ObjectKey a0)
1212 remove_attribute(RelaxingSpring self, SparseFloatKey a0)
1213 remove_attribute(RelaxingSpring self, SparseIntKey a0)
1214 remove_attribute(RelaxingSpring self, SparseStringKey a0)
1215 remove_attribute(RelaxingSpring self, SparseParticleIndexKey a0)
1217 return _IMP_npctransport.RelaxingSpring_remove_attribute(self, *args)
1219 def has_attribute(self, *args):
1221 has_attribute(RelaxingSpring self, FloatKey a0) -> bool
1222 has_attribute(RelaxingSpring self, IntKey a0) -> bool
1223 has_attribute(RelaxingSpring self, FloatsKey a0) -> bool
1224 has_attribute(RelaxingSpring self, IntsKey a0) -> bool
1225 has_attribute(RelaxingSpring self, StringKey a0) -> bool
1226 has_attribute(RelaxingSpring self, ParticleIndexKey a0) -> bool
1227 has_attribute(RelaxingSpring self, ObjectKey a0) -> bool
1228 has_attribute(RelaxingSpring self, SparseFloatKey a0) -> bool
1229 has_attribute(RelaxingSpring self, SparseIntKey a0) -> bool
1230 has_attribute(RelaxingSpring self, SparseStringKey a0) -> bool
1231 has_attribute(RelaxingSpring self, SparseParticleIndexKey a0) -> bool
1233 return _IMP_npctransport.RelaxingSpring_has_attribute(self, *args)
1235 def get_derivative(self, a0):
1236 r"""get_derivative(RelaxingSpring self, FloatKey a0) -> double"""
1237 return _IMP_npctransport.RelaxingSpring_get_derivative(self, a0)
1240 r"""get_name(RelaxingSpring self) -> std::string"""
1241 return _IMP_npctransport.RelaxingSpring_get_name(self)
1243 def clear_caches(self):
1244 r"""clear_caches(RelaxingSpring self)"""
1245 return _IMP_npctransport.RelaxingSpring_clear_caches(self)
1247 def set_name(self, a0):
1248 r"""set_name(RelaxingSpring self, std::string a0)"""
1249 return _IMP_npctransport.RelaxingSpring_set_name(self, a0)
1252 r"""set_check_level(RelaxingSpring self, IMP::CheckLevel a0)"""
1253 return _IMP_npctransport.RelaxingSpring_set_check_level(self, a0)
1255 def add_to_derivative(self, a0, a1, a2):
1256 r"""add_to_derivative(RelaxingSpring self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1257 return _IMP_npctransport.RelaxingSpring_add_to_derivative(self, a0, a1, a2)
1259 def set_is_optimized(self, a0, a1):
1260 r"""set_is_optimized(RelaxingSpring self, FloatKey a0, bool a1)"""
1261 return _IMP_npctransport.RelaxingSpring_set_is_optimized(self, a0, a1)
1263 def get_is_optimized(self, a0):
1264 r"""get_is_optimized(RelaxingSpring self, FloatKey a0) -> bool"""
1265 return _IMP_npctransport.RelaxingSpring_get_is_optimized(self, a0)
1268 r"""get_check_level(RelaxingSpring self) -> IMP::CheckLevel"""
1269 return _IMP_npctransport.RelaxingSpring_get_check_level(self)
1271 def __eq__(self, *args):
1273 __eq__(RelaxingSpring self, RelaxingSpring o) -> bool
1274 __eq__(RelaxingSpring self, Particle d) -> bool
1276 return _IMP_npctransport.RelaxingSpring___eq__(self, *args)
1278 def __ne__(self, *args):
1280 __ne__(RelaxingSpring self, RelaxingSpring o) -> bool
1281 __ne__(RelaxingSpring self, Particle d) -> bool
1283 return _IMP_npctransport.RelaxingSpring___ne__(self, *args)
1285 def __le__(self, *args):
1287 __le__(RelaxingSpring self, RelaxingSpring o) -> bool
1288 __le__(RelaxingSpring self, Particle d) -> bool
1290 return _IMP_npctransport.RelaxingSpring___le__(self, *args)
1292 def __lt__(self, *args):
1294 __lt__(RelaxingSpring self, RelaxingSpring o) -> bool
1295 __lt__(RelaxingSpring self, Particle d) -> bool
1297 return _IMP_npctransport.RelaxingSpring___lt__(self, *args)
1299 def __ge__(self, *args):
1301 __ge__(RelaxingSpring self, RelaxingSpring o) -> bool
1302 __ge__(RelaxingSpring self, Particle d) -> bool
1304 return _IMP_npctransport.RelaxingSpring___ge__(self, *args)
1306 def __gt__(self, *args):
1308 __gt__(RelaxingSpring self, RelaxingSpring o) -> bool
1309 __gt__(RelaxingSpring self, Particle d) -> bool
1311 return _IMP_npctransport.RelaxingSpring___gt__(self, *args)
1314 r"""__hash__(RelaxingSpring self) -> std::size_t"""
1315 return _IMP_npctransport.RelaxingSpring___hash__(self)
1318 r"""__str__(RelaxingSpring self) -> std::string"""
1319 return _IMP_npctransport.RelaxingSpring___str__(self)
1322 r"""__repr__(RelaxingSpring self) -> std::string"""
1323 return _IMP_npctransport.RelaxingSpring___repr__(self)
1325 def _get_as_binary(self):
1326 r"""_get_as_binary(RelaxingSpring self) -> PyObject *"""
1327 return _IMP_npctransport.RelaxingSpring__get_as_binary(self)
1329 def _set_from_binary(self, p):
1330 r"""_set_from_binary(RelaxingSpring self, PyObject * p)"""
1331 return _IMP_npctransport.RelaxingSpring__set_from_binary(self, p)
1333 def __getstate__(self):
1334 p = self._get_as_binary()
1335 if len(self.__dict__) > 1:
1336 d = self.__dict__.copy()
1341 def __setstate__(self, p):
1342 if not hasattr(self,
'this'):
1344 if isinstance(p, tuple):
1346 self.__dict__.update(d)
1347 return self._set_from_binary(p)
1349 __swig_destroy__ = _IMP_npctransport.delete_RelaxingSpring
1352 _IMP_npctransport.RelaxingSpring_swigregister(RelaxingSpring)
1354 r"""Proxy of C++ IMP::npctransport::HarmonicSpringSingletonScore class."""
1356 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1358 def __init__(self, *args):
1359 r"""__init__(HarmonicSpringSingletonScore self, double k1, double k2, std::string name="HarmonicSpringSingletonScore%1%") -> HarmonicSpringSingletonScore"""
1360 _IMP_npctransport.HarmonicSpringSingletonScore_swiginit(self, _IMP_npctransport.new_HarmonicSpringSingletonScore(*args))
1362 def set_k1(self, k1):
1363 r"""set_k1(HarmonicSpringSingletonScore self, double k1)"""
1364 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k1(self, k1)
1367 r"""get_k1(HarmonicSpringSingletonScore self) -> double"""
1368 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k1(self)
1370 def set_k2(self, k2):
1371 r"""set_k2(HarmonicSpringSingletonScore self, double k2)"""
1372 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k2(self, k2)
1375 r"""get_k2(HarmonicSpringSingletonScore self) -> double"""
1376 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k2(self)
1378 def do_get_inputs(self, m, pis):
1379 r"""do_get_inputs(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1380 return _IMP_npctransport.HarmonicSpringSingletonScore_do_get_inputs(self, m, pis)
1382 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1383 r"""evaluate_indexes(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1384 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1386 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1387 r"""evaluate_indexes_scores(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
1388 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1390 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1391 r"""evaluate_indexes_delta(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
1392 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1394 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1395 r"""evaluate_if_good_indexes(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1396 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1398 def get_version_info(self):
1399 r"""get_version_info(HarmonicSpringSingletonScore self) -> VersionInfo"""
1400 return _IMP_npctransport.HarmonicSpringSingletonScore_get_version_info(self)
1401 __swig_destroy__ = _IMP_npctransport.delete_HarmonicSpringSingletonScore
1404 r"""__str__(HarmonicSpringSingletonScore self) -> std::string"""
1405 return _IMP_npctransport.HarmonicSpringSingletonScore___str__(self)
1408 r"""__repr__(HarmonicSpringSingletonScore self) -> std::string"""
1409 return _IMP_npctransport.HarmonicSpringSingletonScore___repr__(self)
1413 return _object_cast_to_HarmonicSpringSingletonScore(o)
1417 _IMP_npctransport.HarmonicSpringSingletonScore_swigregister(HarmonicSpringSingletonScore)
1418 class LinearInteraction(object):
1419 r"""Proxy of C++ IMP::npctransport::LinearInteraction class."""
1421 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1422 __repr__ = _swig_repr
1424 def __init__(self, *args):
1426 __init__(LinearInteraction self, double krep, double attr_range, double kattr) -> LinearInteraction
1427 __init__(LinearInteraction self) -> LinearInteraction
1429 _IMP_npctransport.LinearInteraction_swiginit(self, _IMP_npctransport.new_LinearInteraction(*args))
1431 def show(self, *args):
1432 r"""show(LinearInteraction self, _ostream out=std::cout)"""
1433 return _IMP_npctransport.LinearInteraction_show(self, *args)
1434 __swig_destroy__ = _IMP_npctransport.delete_LinearInteraction
1437 _IMP_npctransport.LinearInteraction_swigregister(LinearInteraction)
1439 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearSoftSphereScore > class."""
1441 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1442 __repr__ = _swig_repr
1444 def __init__(self, *args):
1446 __init__(_DistancePairScoreForLinearSoftSphere self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearSoftSphere
1447 __init__(_DistancePairScoreForLinearSoftSphere self) -> _DistancePairScoreForLinearSoftSphere
1449 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearSoftSphere(*args))
1451 def do_get_inputs(self, m, pis):
1452 r"""do_get_inputs(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1453 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_do_get_inputs(self, m, pis)
1455 def get_score_functor(self, *args):
1457 get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound >
1458 get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > const &
1460 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_score_functor(self, *args)
1462 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1463 r"""evaluate_indexes(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1464 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1466 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1467 r"""evaluate_indexes_scores(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
1468 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1470 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1471 r"""evaluate_indexes_delta(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
1472 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1474 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1475 r"""evaluate_if_good_indexes(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1476 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1478 def get_version_info(self):
1479 r"""get_version_info(_DistancePairScoreForLinearSoftSphere self) -> VersionInfo"""
1480 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_version_info(self)
1481 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearSoftSphere
1484 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swigregister(_DistancePairScoreForLinearSoftSphere)
1485 class _DistancePairScoreForLinearInteraction(
IMP.PairScore):
1486 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearInteractionScore > class."""
1488 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1489 __repr__ = _swig_repr
1491 def __init__(self, *args):
1493 __init__(_DistancePairScoreForLinearInteraction self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearInteraction
1494 __init__(_DistancePairScoreForLinearInteraction self) -> _DistancePairScoreForLinearInteraction
1496 _IMP_npctransport._DistancePairScoreForLinearInteraction_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearInteraction(*args))
1498 def do_get_inputs(self, m, pis):
1499 r"""do_get_inputs(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1500 return _IMP_npctransport._DistancePairScoreForLinearInteraction_do_get_inputs(self, m, pis)
1502 def get_score_functor(self, *args):
1504 get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction >
1505 get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > const &
1507 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_score_functor(self, *args)
1509 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1510 r"""evaluate_indexes(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1511 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1513 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1514 r"""evaluate_indexes_scores(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
1515 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1517 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1518 r"""evaluate_indexes_delta(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
1519 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1521 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1522 r"""evaluate_if_good_indexes(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1523 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1525 def get_version_info(self):
1526 r"""get_version_info(_DistancePairScoreForLinearInteraction self) -> VersionInfo"""
1527 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_version_info(self)
1528 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearInteraction
1531 _IMP_npctransport._DistancePairScoreForLinearInteraction_swigregister(_DistancePairScoreForLinearInteraction)
1532 class FunctorLinearSoftSpherePairScore(_DistancePairScoreForLinearSoftSphere):
1533 r"""Proxy of C++ IMP::npctransport::FunctorLinearSoftSpherePairScore class."""
1535 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1537 def __init__(self, *args):
1538 r"""__init__(FunctorLinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> FunctorLinearSoftSpherePairScore"""
1539 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearSoftSpherePairScore(*args))
1540 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearSoftSpherePairScore
1543 r"""__str__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1544 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___str__(self)
1547 r"""__repr__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1548 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___repr__(self)
1552 return _object_cast_to_FunctorLinearSoftSpherePairScore(o)
1556 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swigregister(FunctorLinearSoftSpherePairScore)
1557 class FunctorLinearInteractionPairScore(_DistancePairScoreForLinearInteraction):
1558 r"""Proxy of C++ IMP::npctransport::FunctorLinearInteractionPairScore class."""
1560 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1562 def __init__(self, *args):
1563 r"""__init__(FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr, std::string name="LinearSSPairScore%1%") -> FunctorLinearInteractionPairScore"""
1564 _IMP_npctransport.FunctorLinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearInteractionPairScore(*args))
1565 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearInteractionPairScore
1568 r"""__str__(FunctorLinearInteractionPairScore self) -> std::string"""
1569 return _IMP_npctransport.FunctorLinearInteractionPairScore___str__(self)
1572 r"""__repr__(FunctorLinearInteractionPairScore self) -> std::string"""
1573 return _IMP_npctransport.FunctorLinearInteractionPairScore___repr__(self)
1577 return _object_cast_to_FunctorLinearInteractionPairScore(o)
1581 _IMP_npctransport.FunctorLinearInteractionPairScore_swigregister(FunctorLinearInteractionPairScore)
1583 r"""Proxy of C++ IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport class."""
1585 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1587 def __init__(self, *args):
1588 r"""__init__(BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name="BrownianDynamicsTAMDWithSlabSupport%1%", double wave_factor=1.0) -> BrownianDynamicsTAMDWithSlabSupport"""
1589 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swiginit(self, _IMP_npctransport.new_BrownianDynamicsTAMDWithSlabSupport(*args))
1592 r"""__str__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1593 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___str__(self)
1596 r"""__repr__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1597 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___repr__(self)
1601 return _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
1603 __swig_destroy__ = _IMP_npctransport.delete_BrownianDynamicsTAMDWithSlabSupport
1606 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swigregister(BrownianDynamicsTAMDWithSlabSupport)
1607 class SitesPairScoreParameters(object):
1608 r"""Proxy of C++ IMP::npctransport::SitesPairScoreParameters class."""
1610 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1611 r = property(_IMP_npctransport.SitesPairScoreParameters_r_get, _IMP_npctransport.SitesPairScoreParameters_r_set, doc=
r"""r : double""")
1612 k = property(_IMP_npctransport.SitesPairScoreParameters_k_get, _IMP_npctransport.SitesPairScoreParameters_k_set, doc=
r"""k : double""")
1613 r2 = property(_IMP_npctransport.SitesPairScoreParameters_r2_get, _IMP_npctransport.SitesPairScoreParameters_r2_set, doc=
r"""r2 : double""")
1614 kr = property(_IMP_npctransport.SitesPairScoreParameters_kr_get, _IMP_npctransport.SitesPairScoreParameters_kr_set, doc=
r"""kr : double""")
1615 kr2 = property(_IMP_npctransport.SitesPairScoreParameters_kr2_get, _IMP_npctransport.SitesPairScoreParameters_kr2_set, doc=
r"""kr2 : double""")
1616 cosSigma1_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_set, doc=
r"""cosSigma1_max : double""")
1617 cosSigma2_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_set, doc=
r"""cosSigma2_max : double""")
1618 is_orientational = property(_IMP_npctransport.SitesPairScoreParameters_is_orientational_get, _IMP_npctransport.SitesPairScoreParameters_is_orientational_set, doc=
r"""is_orientational : bool""")
1620 def __init__(self, range, k_coefficient, sigma1_max_deg=0.0, sigma2_max_deg=0.0):
1621 r"""__init__(SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0) -> SitesPairScoreParameters"""
1622 _IMP_npctransport.SitesPairScoreParameters_swiginit(self, _IMP_npctransport.new_SitesPairScoreParameters(range, k_coefficient, sigma1_max_deg, sigma2_max_deg))
1624 def set_range(self, r):
1625 r"""set_range(SitesPairScoreParameters self, double r)"""
1626 return _IMP_npctransport.SitesPairScoreParameters_set_range(self, r)
1628 def set_force_coefficient(self, k):
1629 r"""set_force_coefficient(SitesPairScoreParameters self, double k)"""
1630 return _IMP_npctransport.SitesPairScoreParameters_set_force_coefficient(self, k)
1632 def set_sigma1_max(self, sigma1_max_deg):
1633 r"""set_sigma1_max(SitesPairScoreParameters self, double sigma1_max_deg)"""
1634 return _IMP_npctransport.SitesPairScoreParameters_set_sigma1_max(self, sigma1_max_deg)
1636 def set_sigma2_max(self, sigma2_max_deg):
1637 r"""set_sigma2_max(SitesPairScoreParameters self, double sigma2_max_deg)"""
1638 return _IMP_npctransport.SitesPairScoreParameters_set_sigma2_max(self, sigma2_max_deg)
1640 def update_is_orientational(self):
1641 r"""update_is_orientational(SitesPairScoreParameters self)"""
1642 return _IMP_npctransport.SitesPairScoreParameters_update_is_orientational(self)
1644 def show(self, *args):
1645 r"""show(SitesPairScoreParameters self, _ostream out=std::cout)"""
1646 return _IMP_npctransport.SitesPairScoreParameters_show(self, *args)
1649 r"""__str__(SitesPairScoreParameters self) -> std::string"""
1650 return _IMP_npctransport.SitesPairScoreParameters___str__(self)
1653 r"""__repr__(SitesPairScoreParameters self) -> std::string"""
1654 return _IMP_npctransport.SitesPairScoreParameters___repr__(self)
1655 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScoreParameters
1658 _IMP_npctransport.SitesPairScoreParameters_swigregister(SitesPairScoreParameters)
1660 r"""Proxy of C++ IMP::npctransport::SitesGeometry class."""
1662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1664 def __init__(self, p, sites):
1665 r"""__init__(SitesGeometry self, Particle p, IMP::algebra::Sphere3Ds sites) -> SitesGeometry"""
1666 _IMP_npctransport.SitesGeometry_swiginit(self, _IMP_npctransport.new_SitesGeometry(p, sites))
1667 __swig_destroy__ = _IMP_npctransport.delete_SitesGeometry
1670 r"""__str__(SitesGeometry self) -> std::string"""
1671 return _IMP_npctransport.SitesGeometry___str__(self)
1674 r"""__repr__(SitesGeometry self) -> std::string"""
1675 return _IMP_npctransport.SitesGeometry___repr__(self)
1679 return _object_cast_to_SitesGeometry(o)
1683 _IMP_npctransport.SitesGeometry_swigregister(SitesGeometry)
1685 r"""Proxy of C++ IMP::npctransport::TypedSitesGeometry class."""
1687 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1689 def __init__(self, sc):
1690 r"""__init__(TypedSitesGeometry self, _SingletonContainerAdaptor sc) -> TypedSitesGeometry"""
1691 _IMP_npctransport.TypedSitesGeometry_swiginit(self, _IMP_npctransport.new_TypedSitesGeometry(sc))
1693 def set_sites(self, t, s):
1694 r"""set_sites(TypedSitesGeometry self, ParticleType t, IMP::algebra::Sphere3Ds s)"""
1695 return _IMP_npctransport.TypedSitesGeometry_set_sites(self, t, s)
1697 def get_version_info(self):
1698 r"""get_version_info(TypedSitesGeometry self) -> VersionInfo"""
1699 return _IMP_npctransport.TypedSitesGeometry_get_version_info(self)
1700 __swig_destroy__ = _IMP_npctransport.delete_TypedSitesGeometry
1703 r"""__str__(TypedSitesGeometry self) -> std::string"""
1704 return _IMP_npctransport.TypedSitesGeometry___str__(self)
1707 r"""__repr__(TypedSitesGeometry self) -> std::string"""
1708 return _IMP_npctransport.TypedSitesGeometry___repr__(self)
1712 return _object_cast_to_TypedSitesGeometry(o)
1716 _IMP_npctransport.TypedSitesGeometry_swigregister(TypedSitesGeometry)
1717 class SitesPairScore(LinearInteractionPairScore):
1718 r"""Proxy of C++ IMP::npctransport::SitesPairScore class."""
1720 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1722 def __init__(self, range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1):
1723 r"""__init__(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"""
1724 _IMP_npctransport.SitesPairScore_swiginit(self, _IMP_npctransport.new_SitesPairScore(range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1))
1726 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1727 r"""evaluate_indexes(SitesPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1728 return _IMP_npctransport.SitesPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1730 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1731 r"""evaluate_if_good_indexes(SitesPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
1732 return _IMP_npctransport.SitesPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1734 def get_sites_range(self):
1735 r"""get_sites_range(SitesPairScore self) -> double"""
1736 return _IMP_npctransport.SitesPairScore_get_sites_range(self)
1738 def get_sites_k(self):
1739 r"""get_sites_k(SitesPairScore self) -> double"""
1740 return _IMP_npctransport.SitesPairScore_get_sites_k(self)
1742 def get_parameters(self):
1743 r"""get_parameters(SitesPairScore self) -> SitesPairScoreParameters"""
1744 return _IMP_npctransport.SitesPairScore_get_parameters(self)
1745 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScore
1747 def set_sites(self, sites0, sites1):
1748 r"""set_sites(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1)"""
1749 return _IMP_npctransport.SitesPairScore_set_sites(self, sites0, sites1)
1751 def set_sites0(self, sites0):
1752 r"""set_sites0(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0)"""
1753 return _IMP_npctransport.SitesPairScore_set_sites0(self, sites0)
1755 def set_sites1(self, sites1):
1756 r"""set_sites1(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites1)"""
1757 return _IMP_npctransport.SitesPairScore_set_sites1(self, sites1)
1760 r"""__str__(SitesPairScore self) -> std::string"""
1761 return _IMP_npctransport.SitesPairScore___str__(self)
1764 r"""__repr__(SitesPairScore self) -> std::string"""
1765 return _IMP_npctransport.SitesPairScore___repr__(self)
1769 return _object_cast_to_SitesPairScore(o)
1773 _IMP_npctransport.SitesPairScore_swigregister(SitesPairScore)
1775 r"""Proxy of C++ IMP::npctransport::FGChain class."""
1777 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1779 def __init__(self, *args):
1780 r"""__init__(FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0, std::string name="chain %1%") -> FGChain"""
1781 _IMP_npctransport.FGChain_swiginit(self, _IMP_npctransport.new_FGChain(*args))
1784 r"""get_root(FGChain self) -> Hierarchy"""
1785 return _IMP_npctransport.FGChain_get_root(self)
1787 def get_beads(self):
1788 r"""get_beads(FGChain self) -> IMP::ParticlesTemp"""
1789 return _IMP_npctransport.FGChain_get_beads(self)
1791 def get_bead(self, i):
1792 r"""get_bead(FGChain self, unsigned int i) -> Particle"""
1793 return _IMP_npctransport.FGChain_get_bead(self, i)
1795 def get_bead_index(self, i):
1796 r"""get_bead_index(FGChain self, unsigned int i) -> ParticleIndex"""
1797 return _IMP_npctransport.FGChain_get_bead_index(self, i)
1799 def get_number_of_beads(self):
1800 r"""get_number_of_beads(FGChain self) -> unsigned int"""
1801 return _IMP_npctransport.FGChain_get_number_of_beads(self)
1803 def get_chain_restraints(self, scoring_manager):
1804 r"""get_chain_restraints(FGChain self, Scoring scoring_manager) -> IMP::Restraints"""
1805 return _IMP_npctransport.FGChain_get_chain_restraints(self, scoring_manager)
1807 def set_rest_length_factor(self, rlf):
1808 r"""set_rest_length_factor(FGChain self, double rlf)"""
1809 return _IMP_npctransport.FGChain_set_rest_length_factor(self, rlf)
1811 def set_backbone_k(self, k):
1812 r"""set_backbone_k(FGChain self, double k)"""
1813 return _IMP_npctransport.FGChain_set_backbone_k(self, k)
1815 def get_rest_length_factor(self):
1816 r"""get_rest_length_factor(FGChain self) -> double"""
1817 return _IMP_npctransport.FGChain_get_rest_length_factor(self)
1819 def get_backbone_k(self):
1820 r"""get_backbone_k(FGChain self) -> double"""
1821 return _IMP_npctransport.FGChain_get_backbone_k(self)
1823 def get_version_info(self):
1824 r"""get_version_info(FGChain self) -> VersionInfo"""
1825 return _IMP_npctransport.FGChain_get_version_info(self)
1826 __swig_destroy__ = _IMP_npctransport.delete_FGChain
1829 r"""__str__(FGChain self) -> std::string"""
1830 return _IMP_npctransport.FGChain___str__(self)
1833 r"""__repr__(FGChain self) -> std::string"""
1834 return _IMP_npctransport.FGChain___repr__(self)
1838 return _object_cast_to_FGChain(o)
1842 _IMP_npctransport.FGChain_swigregister(FGChain)
1845 r"""create_fg_chain(SimulationData sd, Hierarchy parent, ::npctransport_proto::Assignment_FGAssignment const & fg_data, Color c) -> FGChain"""
1846 return _IMP_npctransport.create_fg_chain(sd, parent, fg_data, c)
1850 get_fg_chain(Hierarchy root) -> FGChain
1851 get_fg_chain(Particle p_root) -> FGChain
1853 return _IMP_npctransport.get_fg_chain(*args)
1855 r"""Proxy of C++ IMP::npctransport::Scoring class."""
1857 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1859 def __init__(self, owner_sd, data):
1860 r"""__init__(Scoring self, SimulationData owner_sd, ::npctransport_proto::Assignment const & data) -> Scoring"""
1861 _IMP_npctransport.Scoring_swiginit(self, _IMP_npctransport.new_Scoring(owner_sd, data))
1863 def get_scoring_function(self, force_update=False):
1864 r"""get_scoring_function(Scoring self, bool force_update=False) -> ScoringFunction"""
1865 return _IMP_npctransport.Scoring_get_scoring_function(self, force_update)
1867 def get_scoring_function_restraints(self, force_update=False):
1868 r"""get_scoring_function_restraints(Scoring self, bool force_update=False) -> IMP::Restraints"""
1869 return _IMP_npctransport.Scoring_get_scoring_function_restraints(self, force_update)
1871 def get_custom_scoring_function(self, *args):
1873 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
1874 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
1876 return _IMP_npctransport.Scoring_get_custom_scoring_function(self, *args)
1878 def get_close_beads_container(self, update=False):
1879 r"""get_close_beads_container(Scoring self, bool update=False) -> PairContainer"""
1880 return _IMP_npctransport.Scoring_get_close_beads_container(self, update)
1882 def get_predicates_pair_restraint(self, update=False):
1883 r"""get_predicates_pair_restraint(Scoring self, bool update=False) -> PredicatePairsRestraint"""
1884 return _IMP_npctransport.Scoring_get_predicates_pair_restraint(self, update)
1886 def get_bounding_volume_restraint(self, update=False):
1887 r"""get_bounding_volume_restraint(Scoring self, bool update=False) -> Restraint"""
1888 return _IMP_npctransport.Scoring_get_bounding_volume_restraint(self, update)
1890 def get_slab_restraint(self, update=False):
1891 r"""get_slab_restraint(Scoring self, bool update=False) -> Restraint"""
1892 return _IMP_npctransport.Scoring_get_slab_restraint(self, update)
1894 def add_interaction(self, idata):
1895 r"""add_interaction(Scoring self, ::npctransport_proto::Assignment_InteractionAssignment const & idata)"""
1896 return _IMP_npctransport.Scoring_add_interaction(self, idata)
1898 def create_close_beads_container(self, *args):
1900 create_close_beads_container(Scoring self, _SingletonContainerAdaptor non_optimiziable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1901 create_close_beads_container(Scoring self, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1903 return _IMP_npctransport.Scoring_create_close_beads_container(self, *args)
1905 def create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on=True):
1906 r"""create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs, bool is_attr_interactions_on=True) -> PredicatePairsRestraint"""
1907 return _IMP_npctransport.Scoring_create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on)
1909 def create_bounding_volume_restraint(self, beads):
1910 r"""create_bounding_volume_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1911 return _IMP_npctransport.Scoring_create_bounding_volume_restraint(self, beads)
1913 def create_slab_restraint(self, beads):
1914 r"""create_slab_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1915 return _IMP_npctransport.Scoring_create_slab_restraint(self, beads)
1917 def get_model(self):
1918 r"""get_model(Scoring self) -> Model"""
1919 return _IMP_npctransport.Scoring_get_model(self)
1922 r"""get_sd(Scoring self) -> SimulationData"""
1923 return _IMP_npctransport.Scoring_get_sd(self)
1925 def get_has_bounding_box(self):
1926 r"""get_has_bounding_box(Scoring self) -> bool"""
1927 return _IMP_npctransport.Scoring_get_has_bounding_box(self)
1929 def get_has_bounding_sphere(self):
1930 r"""get_has_bounding_sphere(Scoring self) -> bool"""
1931 return _IMP_npctransport.Scoring_get_has_bounding_sphere(self)
1933 def get_has_bounding_volume(self):
1934 r"""get_has_bounding_volume(Scoring self) -> bool"""
1935 return _IMP_npctransport.Scoring_get_has_bounding_volume(self)
1937 def get_default_backbone_k(self):
1938 r"""get_default_backbone_k(Scoring self) -> double"""
1939 return _IMP_npctransport.Scoring_get_default_backbone_k(self)
1941 def get_is_backbone_harmonic(self):
1942 r"""get_is_backbone_harmonic(Scoring self) -> bool"""
1943 return _IMP_npctransport.Scoring_get_is_backbone_harmonic(self)
1945 def get_excluded_volume_k(self):
1946 r"""get_excluded_volume_k(Scoring self) -> double"""
1947 return _IMP_npctransport.Scoring_get_excluded_volume_k(self)
1949 def get_interaction_k(self):
1950 r"""get_interaction_k(Scoring self) -> double"""
1951 return _IMP_npctransport.Scoring_get_interaction_k(self)
1953 def get_predicate_pair_score(self, *args):
1955 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1956 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1958 return _IMP_npctransport.Scoring_get_predicate_pair_score(self, *args)
1960 def get_interaction_range_for(self, t1, t2, site_specific=True, non_specific=False):
1961 r"""get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True, bool non_specific=False) -> double"""
1962 return _IMP_npctransport.Scoring_get_interaction_range_for(self, t1, t2, site_specific, non_specific)
1964 def get_ordered_type_pair_predicate(self):
1965 r"""get_ordered_type_pair_predicate(Scoring self) -> OrderedTypePairPredicate"""
1966 return _IMP_npctransport.Scoring_get_ordered_type_pair_predicate(self)
1968 def add_chain_restraints(self, chain):
1969 r"""add_chain_restraints(Scoring self, FGChain chain)"""
1970 return _IMP_npctransport.Scoring_add_chain_restraints(self, chain)
1972 def get_chain_restraints_on(self, beads):
1973 r"""get_chain_restraints_on(Scoring self, _SingletonContainerAdaptor beads) -> IMP::Restraints"""
1974 return _IMP_npctransport.Scoring_get_chain_restraints_on(self, beads)
1976 def get_all_chain_restraints(self):
1977 r"""get_all_chain_restraints(Scoring self) -> IMP::Restraints"""
1978 return _IMP_npctransport.Scoring_get_all_chain_restraints(self)
1980 def remove_particle_type(self, pt):
1981 r"""remove_particle_type(Scoring self, ParticleType pt)"""
1982 return _IMP_npctransport.Scoring_remove_particle_type(self, pt)
1984 def add_z_bias_restraint(self, *args):
1986 add_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k, double z)
1987 add_z_bias_restraint(Scoring self, Particle p, double k, double z)
1989 return _IMP_npctransport.Scoring_add_z_bias_restraint(self, *args)
1991 def get_z_bias_restraints(self):
1992 r"""get_z_bias_restraints(Scoring self) -> IMP::Restraints"""
1993 return _IMP_npctransport.Scoring_get_z_bias_restraints(self)
1995 def create_z_bias_restraint(self, ps, k, z):
1996 r"""create_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k, double z) -> Restraint"""
1997 return _IMP_npctransport.Scoring_create_z_bias_restraint(self, ps, k, z)
1999 def add_custom_restraint(self, r):
2000 r"""add_custom_restraint(Scoring self, Restraint r)"""
2001 return _IMP_npctransport.Scoring_add_custom_restraint(self, r)
2003 def add_custom_restraints(self, R):
2004 r"""add_custom_restraints(Scoring self, IMP::Restraints R)"""
2005 return _IMP_npctransport.Scoring_add_custom_restraints(self, R)
2007 def clear_custom_restraints(self):
2008 r"""clear_custom_restraints(Scoring self)"""
2009 return _IMP_npctransport.Scoring_clear_custom_restraints(self)
2011 def get_custom_restraints(self):
2012 r"""get_custom_restraints(Scoring self) -> IMP::Restraints"""
2013 return _IMP_npctransport.Scoring_get_custom_restraints(self)
2015 def add_restrained_anchor_bead(self, p):
2016 r"""add_restrained_anchor_bead(Scoring self, Particle p)"""
2017 return _IMP_npctransport.Scoring_add_restrained_anchor_bead(self, p)
2019 def get_pore_radius_restraint(self):
2020 r"""get_pore_radius_restraint(Scoring self) -> Restraint"""
2021 return _IMP_npctransport.Scoring_get_pore_radius_restraint(self)
2023 def get_range(self):
2024 r"""get_range(Scoring self) -> double"""
2025 return _IMP_npctransport.Scoring_get_range(self)
2027 def set_interaction_range_factor(self, type, value):
2028 r"""set_interaction_range_factor(Scoring self, ParticleType type, double value)"""
2029 return _IMP_npctransport.Scoring_set_interaction_range_factor(self, type, value)
2031 def set_interaction_k_factor(self, type, value):
2032 r"""set_interaction_k_factor(Scoring self, ParticleType type, double value)"""
2033 return _IMP_npctransport.Scoring_set_interaction_k_factor(self, type, value)
2035 def get_version_info(self):
2036 r"""get_version_info(Scoring self) -> VersionInfo"""
2037 return _IMP_npctransport.Scoring_get_version_info(self)
2038 __swig_destroy__ = _IMP_npctransport.delete_Scoring
2041 r"""__str__(Scoring self) -> std::string"""
2042 return _IMP_npctransport.Scoring___str__(self)
2045 r"""__repr__(Scoring self) -> std::string"""
2046 return _IMP_npctransport.Scoring___repr__(self)
2050 return _object_cast_to_Scoring(o)
2054 _IMP_npctransport.Scoring_swigregister(Scoring)
2055 class SimpleTimer(object):
2056 r"""Proxy of C++ IMP::internal::SimpleTimer class."""
2058 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2059 __repr__ = _swig_repr
2062 r"""__init__(SimpleTimer self) -> SimpleTimer"""
2063 _IMP_npctransport.SimpleTimer_swiginit(self, _IMP_npctransport.new_SimpleTimer())
2064 __swig_destroy__ = _IMP_npctransport.delete_SimpleTimer
2067 _IMP_npctransport.SimpleTimer_swigregister(SimpleTimer)
2069 r"""Proxy of C++ IMP::npctransport::Statistics class."""
2071 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2073 def remove_particle_type(self, pt):
2074 r"""remove_particle_type(Statistics self, ParticleType pt)"""
2075 return _IMP_npctransport.Statistics_remove_particle_type(self, pt)
2077 def __init__(self, sd, statistics_interval_frames, output_file_name):
2078 r"""__init__(Statistics self, SimulationData sd, unsigned int statistics_interval_frames, std::string output_file_name) -> Statistics"""
2079 _IMP_npctransport.Statistics_swiginit(self, _IMP_npctransport.new_Statistics(sd, statistics_interval_frames, output_file_name))
2081 def add_fg_chain_stats(self, fg_chain):
2082 r"""add_fg_chain_stats(Statistics self, FGChain fg_chain)"""
2083 return _IMP_npctransport.Statistics_add_fg_chain_stats(self, fg_chain)
2085 def add_floater_stats(self, p):
2086 r"""add_floater_stats(Statistics self, Particle p)"""
2087 return _IMP_npctransport.Statistics_add_floater_stats(self, p)
2089 def add_interaction_stats(self, type0, type1):
2090 r"""add_interaction_stats(Statistics self, ParticleType type0, ParticleType type1)"""
2091 return _IMP_npctransport.Statistics_add_interaction_stats(self, type0, type1)
2093 def add_optimizer_states(self, o=None):
2094 r"""add_optimizer_states(Statistics self, Optimizer o=None) -> IMP::OptimizerStates"""
2095 return _IMP_npctransport.Statistics_add_optimizer_states(self, o)
2097 def update_particle_type_zr_distribution_map(self, p):
2098 r"""update_particle_type_zr_distribution_map(Statistics self, Particle p)"""
2099 return _IMP_npctransport.Statistics_update_particle_type_zr_distribution_map(self, p)
2101 def update_particle_type_xyz_distribution_map(self, p):
2102 r"""update_particle_type_xyz_distribution_map(Statistics self, Particle p)"""
2103 return _IMP_npctransport.Statistics_update_particle_type_xyz_distribution_map(self, p)
2105 def update(self, timer, nf_new=1, force_full_output=False):
2106 r"""update(Statistics self, SimpleTimer timer, unsigned int nf_new=1, bool force_full_output=False)"""
2107 return _IMP_npctransport.Statistics_update(self, timer, nf_new, force_full_output)
2109 def reset_statistics_optimizer_states(self):
2110 r"""reset_statistics_optimizer_states(Statistics self)"""
2111 return _IMP_npctransport.Statistics_reset_statistics_optimizer_states(self)
2113 def set_interrupted(self, tf):
2114 r"""set_interrupted(Statistics self, bool tf)"""
2115 return _IMP_npctransport.Statistics_set_interrupted(self, tf)
2117 def get_model(self):
2118 r"""get_model(Statistics self) -> Model"""
2119 return _IMP_npctransport.Statistics_get_model(self)
2122 r"""get_sd(Statistics self) -> SimulationData"""
2123 return _IMP_npctransport.Statistics_get_sd(self)
2125 def get_is_activated(self):
2126 r"""get_is_activated(Statistics self) -> bool"""
2127 return _IMP_npctransport.Statistics_get_is_activated(self)
2129 def get_output_file_name(self):
2130 r"""get_output_file_name(Statistics self) -> std::string"""
2131 return _IMP_npctransport.Statistics_get_output_file_name(self)
2133 def get_version_info(self):
2134 r"""get_version_info(Statistics self) -> VersionInfo"""
2135 return _IMP_npctransport.Statistics_get_version_info(self)
2136 __swig_destroy__ = _IMP_npctransport.delete_Statistics
2139 r"""__str__(Statistics self) -> std::string"""
2140 return _IMP_npctransport.Statistics___str__(self)
2143 r"""__repr__(Statistics self) -> std::string"""
2144 return _IMP_npctransport.Statistics___repr__(self)
2148 return _object_cast_to_Statistics(o)
2152 _IMP_npctransport.Statistics_swigregister(Statistics)
2154 def create_boost_timer():
2155 r"""create_boost_timer() -> SimpleTimer"""
2156 return _IMP_npctransport.create_boost_timer()
2157 IMPNPCTRANSPORT_VERSION = _IMP_npctransport.IMPNPCTRANSPORT_VERSION
2160 r"""Proxy of C++ IMP::npctransport::SimulationData class."""
2162 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2164 def get_output_npctransport_version(self):
2165 r"""get_output_npctransport_version(SimulationData self) -> double"""
2166 return _IMP_npctransport.SimulationData_get_output_npctransport_version(self)
2168 def get_range(self):
2169 r"""get_range(SimulationData self) -> double"""
2170 return _IMP_npctransport.SimulationData_get_range(self)
2172 def get_output_statistics_interval_frames(self):
2173 r"""get_output_statistics_interval_frames(SimulationData self) -> int"""
2174 return _IMP_npctransport.SimulationData_get_output_statistics_interval_frames(self)
2176 def get_full_output_statistics_interval_factor(self):
2177 r"""get_full_output_statistics_interval_factor(SimulationData self) -> int"""
2178 return _IMP_npctransport.SimulationData_get_full_output_statistics_interval_factor(self)
2180 def get_is_multiple_hdf5s(self):
2181 r"""get_is_multiple_hdf5s(SimulationData self) -> bool"""
2182 return _IMP_npctransport.SimulationData_get_is_multiple_hdf5s(self)
2184 def get_is_exclude_floaters_from_slab_initially(self):
2185 r"""get_is_exclude_floaters_from_slab_initially(SimulationData self) -> bool"""
2186 return _IMP_npctransport.SimulationData_get_is_exclude_floaters_from_slab_initially(self)
2188 def get_are_floaters_on_one_slab_side(self):
2189 r"""get_are_floaters_on_one_slab_side(SimulationData self) -> bool"""
2190 return _IMP_npctransport.SimulationData_get_are_floaters_on_one_slab_side(self)
2192 def get_is_xyz_hist_stats(self):
2193 r"""get_is_xyz_hist_stats(SimulationData self) -> bool"""
2194 return _IMP_npctransport.SimulationData_get_is_xyz_hist_stats(self)
2196 def get_xyz_stats_crop_factor(self):
2197 r"""get_xyz_stats_crop_factor(SimulationData self) -> double"""
2198 return _IMP_npctransport.SimulationData_get_xyz_stats_crop_factor(self)
2200 def get_xyz_stats_voxel_size_A(self):
2201 r"""get_xyz_stats_voxel_size_A(SimulationData self) -> double"""
2202 return _IMP_npctransport.SimulationData_get_xyz_stats_voxel_size_A(self)
2204 def get_xyz_stats_max_box_size_A(self):
2205 r"""get_xyz_stats_max_box_size_A(SimulationData self) -> double"""
2206 return _IMP_npctransport.SimulationData_get_xyz_stats_max_box_size_A(self)
2208 def get_angular_d_factor(self):
2209 r"""get_angular_d_factor(SimulationData self) -> double"""
2210 return _IMP_npctransport.SimulationData_get_angular_d_factor(self)
2212 def __init__(self, *args):
2213 r"""__init__(SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name=std::string(), std::string new_output_file="") -> SimulationData"""
2214 _IMP_npctransport.SimulationData_swiginit(self, _IMP_npctransport.new_SimulationData(*args))
2216 def get_model(self):
2217 r"""get_model(SimulationData self) -> Model"""
2218 return _IMP_npctransport.SimulationData_get_model(self)
2220 def get_scoring(self):
2221 r"""get_scoring(SimulationData self) -> Scoring"""
2222 return _IMP_npctransport.SimulationData_get_scoring(self)
2224 def get_statistics(self):
2225 r"""get_statistics(SimulationData self) -> Statistics"""
2226 return _IMP_npctransport.SimulationData_get_statistics(self)
2228 def get_bd(self, recreate=False):
2229 r"""get_bd(SimulationData self, bool recreate=False) -> BrownianDynamics"""
2230 return _IMP_npctransport.SimulationData_get_bd(self, recreate)
2232 def activate_statistics(self):
2233 r"""activate_statistics(SimulationData self)"""
2234 return _IMP_npctransport.SimulationData_activate_statistics(self)
2236 def get_statistics_fraction(self):
2237 r"""get_statistics_fraction(SimulationData self) -> double"""
2238 return _IMP_npctransport.SimulationData_get_statistics_fraction(self)
2240 def get_is_fg_bead(self, *args):
2242 get_is_fg_bead(SimulationData self, ParticleIndex pi) -> bool
2243 get_is_fg_bead(SimulationData self, ParticleType pt) -> bool
2245 return _IMP_npctransport.SimulationData_get_is_fg_bead(self, *args)
2247 def get_is_fg_chain(self, *args):
2249 get_is_fg_chain(SimulationData self, ParticleIndex pi) -> bool
2250 get_is_fg_chain(SimulationData self, ParticleType pt) -> bool
2252 return _IMP_npctransport.SimulationData_get_is_fg_chain(self, *args)
2254 def get_fg_bead_types(self):
2255 r"""get_fg_bead_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2256 return _IMP_npctransport.SimulationData_get_fg_bead_types(self)
2258 def get_fg_chain_types(self):
2259 r"""get_fg_chain_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2260 return _IMP_npctransport.SimulationData_get_fg_chain_types(self)
2262 def get_floater_types(self):
2263 r"""get_floater_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2264 return _IMP_npctransport.SimulationData_get_floater_types(self)
2266 def get_obstacle_types(self):
2267 r"""get_obstacle_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2268 return _IMP_npctransport.SimulationData_get_obstacle_types(self)
2270 def get_fg_chain_roots(self):
2271 r"""get_fg_chain_roots(SimulationData self) -> IMP::atom::Hierarchies"""
2272 return _IMP_npctransport.SimulationData_get_fg_chain_roots(self)
2274 def get_fg_chains(self):
2275 r"""get_fg_chains(SimulationData self) -> IMP::atom::Hierarchies"""
2276 return _IMP_npctransport.SimulationData_get_fg_chains(self)
2278 def get_obstacle_particles(self):
2279 r"""get_obstacle_particles(SimulationData self) -> IMP::ParticlesTemp"""
2280 return _IMP_npctransport.SimulationData_get_obstacle_particles(self)
2282 def get_beads(self):
2283 r"""get_beads(SimulationData self) -> IMP::ParticlesTemp"""
2284 return _IMP_npctransport.SimulationData_get_beads(self)
2286 def get_optimizable_beads(self):
2287 r"""get_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2288 return _IMP_npctransport.SimulationData_get_optimizable_beads(self)
2290 def get_non_optimizable_beads(self):
2291 r"""get_non_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2292 return _IMP_npctransport.SimulationData_get_non_optimizable_beads(self)
2294 def get_is_backbone_harmonic(self):
2295 r"""get_is_backbone_harmonic(SimulationData self) -> bool"""
2296 return _IMP_npctransport.SimulationData_get_is_backbone_harmonic(self)
2298 def get_backbone_tau_ns(self):
2299 r"""get_backbone_tau_ns(SimulationData self) -> double"""
2300 return _IMP_npctransport.SimulationData_get_backbone_tau_ns(self)
2302 def get_temperature_k(self):
2303 r"""get_temperature_k(SimulationData self) -> double"""
2304 return _IMP_npctransport.SimulationData_get_temperature_k(self)
2306 def get_initial_simulation_time_ns(self):
2307 r"""get_initial_simulation_time_ns(SimulationData self) -> double"""
2308 return _IMP_npctransport.SimulationData_get_initial_simulation_time_ns(self)
2310 def get_site_centers(self, t0):
2311 r"""get_site_centers(SimulationData self, ParticleType t0) -> IMP::algebra::Vector3Ds"""
2312 return _IMP_npctransport.SimulationData_get_site_centers(self, t0)
2314 def get_sites(self, t0):
2315 r"""get_sites(SimulationData self, ParticleType t0) -> IMP::algebra::Sphere3Ds"""
2316 return _IMP_npctransport.SimulationData_get_sites(self, t0)
2318 def set_sites(self, *args):
2320 set_sites(SimulationData self, ParticleType t0, int n, double r, double sr)
2321 set_sites(SimulationData self, ParticleType t0, IMP::algebra::Sphere3Ds const & sites)
2323 return _IMP_npctransport.SimulationData_set_sites(self, *args)
2325 def get_site_display_radius(self, arg2):
2326 r"""get_site_display_radius(SimulationData self, ParticleType arg2) -> double"""
2327 return _IMP_npctransport.SimulationData_get_site_display_radius(self, arg2)
2329 def get_maximum_number_of_minutes(self):
2330 r"""get_maximum_number_of_minutes(SimulationData self) -> double"""
2331 return _IMP_npctransport.SimulationData_get_maximum_number_of_minutes(self)
2333 def remove_particle_type(self, pt):
2334 r"""remove_particle_type(SimulationData self, ParticleType pt)"""
2335 return _IMP_npctransport.SimulationData_remove_particle_type(self, pt)
2337 def remove_fgs_with_prefix(self, s_fg_type):
2338 r"""remove_fgs_with_prefix(SimulationData self, std::string s_fg_type)"""
2339 return _IMP_npctransport.SimulationData_remove_fgs_with_prefix(self, s_fg_type)
2341 def get_bounding_box(self):
2342 r"""get_bounding_box(SimulationData self) -> BoundingBox3D"""
2343 return _IMP_npctransport.SimulationData_get_bounding_box(self)
2345 def get_bounding_sphere(self):
2346 r"""get_bounding_sphere(SimulationData self) -> Sphere3D"""
2347 return _IMP_npctransport.SimulationData_get_bounding_sphere(self)
2349 def get_bounding_box_size(self):
2350 r"""get_bounding_box_size(SimulationData self) -> double"""
2351 return _IMP_npctransport.SimulationData_get_bounding_box_size(self)
2353 def set_bounding_box_size(self, box_size):
2354 r"""set_bounding_box_size(SimulationData self, double box_size)"""
2355 return _IMP_npctransport.SimulationData_set_bounding_box_size(self, box_size)
2357 def get_bounding_sphere_radius(self):
2358 r"""get_bounding_sphere_radius(SimulationData self) -> double"""
2359 return _IMP_npctransport.SimulationData_get_bounding_sphere_radius(self)
2361 def set_bounding_sphere_radius(self, sphere_radius):
2362 r"""set_bounding_sphere_radius(SimulationData self, double sphere_radius)"""
2363 return _IMP_npctransport.SimulationData_set_bounding_sphere_radius(self, sphere_radius)
2365 def get_bounding_volume(self):
2366 r"""get_bounding_volume(SimulationData self) -> double"""
2367 return _IMP_npctransport.SimulationData_get_bounding_volume(self)
2369 def set_bounding_volume(self, volume_A3):
2370 r"""set_bounding_volume(SimulationData self, double volume_A3)"""
2371 return _IMP_npctransport.SimulationData_set_bounding_volume(self, volume_A3)
2373 def get_has_slab(self):
2374 r"""get_has_slab(SimulationData self) -> bool"""
2375 return _IMP_npctransport.SimulationData_get_has_slab(self)
2377 def get_is_slab_with_cylindrical_pore(self):
2378 r"""get_is_slab_with_cylindrical_pore(SimulationData self) -> bool"""
2379 return _IMP_npctransport.SimulationData_get_is_slab_with_cylindrical_pore(self)
2381 def get_is_slab_with_toroidal_pore(self):
2382 r"""get_is_slab_with_toroidal_pore(SimulationData self) -> bool"""
2383 return _IMP_npctransport.SimulationData_get_is_slab_with_toroidal_pore(self)
2385 def get_slab_particle(self):
2386 r"""get_slab_particle(SimulationData self) -> Particle"""
2387 return _IMP_npctransport.SimulationData_get_slab_particle(self)
2389 def get_cylinder(self):
2390 r"""get_cylinder(SimulationData self) -> Cylinder3D"""
2391 return _IMP_npctransport.SimulationData_get_cylinder(self)
2393 def get_has_bounding_box(self):
2394 r"""get_has_bounding_box(SimulationData self) -> bool"""
2395 return _IMP_npctransport.SimulationData_get_has_bounding_box(self)
2397 def get_has_bounding_sphere(self):
2398 r"""get_has_bounding_sphere(SimulationData self) -> bool"""
2399 return _IMP_npctransport.SimulationData_get_has_bounding_sphere(self)
2401 def get_has_bounding_volume(self):
2402 r"""get_has_bounding_volume(SimulationData self) -> bool"""
2403 return _IMP_npctransport.SimulationData_get_has_bounding_volume(self)
2405 def initialize_positions_from_rmf(self, fh, frame_number=-1):
2406 r"""initialize_positions_from_rmf(SimulationData self, FileConstHandle fh, int frame_number=-1)"""
2407 return _IMP_npctransport.SimulationData_initialize_positions_from_rmf(self, fh, frame_number)
2409 def link_rmf_file_handle(self, fh, is_restraints=True):
2410 r"""link_rmf_file_handle(SimulationData self, FileHandle fh, bool is_restraints=True)"""
2411 return _IMP_npctransport.SimulationData_link_rmf_file_handle(self, fh, is_restraints)
2413 def get_rmf_sos_writer(self):
2414 r"""get_rmf_sos_writer(SimulationData self) -> SaveOptimizerState"""
2415 return _IMP_npctransport.SimulationData_get_rmf_sos_writer(self)
2417 def reset_rmf(self):
2418 r"""reset_rmf(SimulationData self)"""
2419 return _IMP_npctransport.SimulationData_reset_rmf(self)
2421 def switch_suspend_rmf(self, suspend):
2422 r"""switch_suspend_rmf(SimulationData self, bool suspend)"""
2423 return _IMP_npctransport.SimulationData_switch_suspend_rmf(self, suspend)
2425 def write_geometry(self, out):
2426 r"""write_geometry(SimulationData self, std::string out)"""
2427 return _IMP_npctransport.SimulationData_write_geometry(self, out)
2429 def dump_geometry(self):
2430 r"""dump_geometry(SimulationData self)"""
2431 return _IMP_npctransport.SimulationData_dump_geometry(self)
2433 def get_root_of_type(self, type):
2434 r"""get_root_of_type(SimulationData self, ParticleType type) -> Hierarchy"""
2435 return _IMP_npctransport.SimulationData_get_root_of_type(self, type)
2438 r"""get_number_of_frames(SimulationData self) -> unsigned int"""
2439 return _IMP_npctransport.SimulationData_get_number_of_frames(self)
2441 def get_number_of_trials(self):
2442 r"""get_number_of_trials(SimulationData self) -> unsigned int"""
2443 return _IMP_npctransport.SimulationData_get_number_of_trials(self)
2446 r"""get_root(SimulationData self) -> Hierarchy"""
2447 return _IMP_npctransport.SimulationData_get_root(self)
2449 def get_slab_thickness(self):
2450 r"""get_slab_thickness(SimulationData self) -> double"""
2451 return _IMP_npctransport.SimulationData_get_slab_thickness(self)
2453 def get_tunnel_radius(self):
2454 r"""get_tunnel_radius(SimulationData self) -> double"""
2455 return _IMP_npctransport.SimulationData_get_tunnel_radius(self)
2457 def get_pore_radius(self):
2458 r"""get_pore_radius(SimulationData self) -> double"""
2459 return _IMP_npctransport.SimulationData_get_pore_radius(self)
2461 def get_tunnel_radius_k(self):
2462 r"""get_tunnel_radius_k(SimulationData self) -> double"""
2463 return _IMP_npctransport.SimulationData_get_tunnel_radius_k(self)
2465 def get_pore_radius_k(self):
2466 r"""get_pore_radius_k(SimulationData self) -> double"""
2467 return _IMP_npctransport.SimulationData_get_pore_radius_k(self)
2469 def get_is_pore_radius_dynamic(self):
2470 r"""get_is_pore_radius_dynamic(SimulationData self) -> bool"""
2471 return _IMP_npctransport.SimulationData_get_is_pore_radius_dynamic(self)
2473 def get_pore_anchored_beads_k(self):
2474 r"""get_pore_anchored_beads_k(SimulationData self) -> double"""
2475 return _IMP_npctransport.SimulationData_get_pore_anchored_beads_k(self)
2477 def get_static_geometry(self):
2478 r"""get_static_geometry(SimulationData self) -> Geometry"""
2479 return _IMP_npctransport.SimulationData_get_static_geometry(self)
2481 def get_rmf_dump_interval_frames(self):
2482 r"""get_rmf_dump_interval_frames(SimulationData self) -> int"""
2483 return _IMP_npctransport.SimulationData_get_rmf_dump_interval_frames(self)
2485 def get_rmf_file_name(self):
2486 r"""get_rmf_file_name(SimulationData self) -> std::string"""
2487 return _IMP_npctransport.SimulationData_get_rmf_file_name(self)
2489 def set_rmf_file(self, new_name, is_save_restraints_to_rmf=True, is_force_restart=False):
2490 r"""set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True, bool is_force_restart=False)"""
2491 return _IMP_npctransport.SimulationData_set_rmf_file(self, new_name, is_save_restraints_to_rmf, is_force_restart)
2493 def get_version_info(self):
2494 r"""get_version_info(SimulationData self) -> VersionInfo"""
2495 return _IMP_npctransport.SimulationData_get_version_info(self)
2496 __swig_destroy__ = _IMP_npctransport.delete_SimulationData
2499 r"""__str__(SimulationData self) -> std::string"""
2500 return _IMP_npctransport.SimulationData___str__(self)
2503 r"""__repr__(SimulationData self) -> std::string"""
2504 return _IMP_npctransport.SimulationData___repr__(self)
2508 return _object_cast_to_SimulationData(o)
2512 _IMP_npctransport.SimulationData_swigregister(SimulationData)
2514 def get_simulation_data_key():
2515 r"""get_simulation_data_key() -> IMP::WeakObjectKey"""
2516 return _IMP_npctransport.get_simulation_data_key()
2518 def write_geometry(kaps, kap_sites, chains, chain_sites, rs, out):
2519 r"""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)"""
2520 return _IMP_npctransport.write_geometry(kaps, kap_sites, chains, chain_sites, rs, out)
2522 r"""Proxy of C++ IMP::npctransport::ParticleFactory class."""
2524 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2525 sd_ = property(_IMP_npctransport.ParticleFactory_sd__get, _IMP_npctransport.ParticleFactory_sd__set, doc=
r"""sd_ : IMP::WeakPointer<(IMP::npctransport::SimulationData)>""")
2526 radius_ = property(_IMP_npctransport.ParticleFactory_radius__get, _IMP_npctransport.ParticleFactory_radius__set, doc=
r"""radius_ : double""")
2527 D_factor_ = property(_IMP_npctransport.ParticleFactory_D_factor__get, _IMP_npctransport.ParticleFactory_D_factor__set, doc=
r"""D_factor_ : double""")
2528 angular_D_factor_ = property(_IMP_npctransport.ParticleFactory_angular_D_factor__get, _IMP_npctransport.ParticleFactory_angular_D_factor__set, doc=
r"""angular_D_factor_ : double""")
2529 color_ = property(_IMP_npctransport.ParticleFactory_color__get, _IMP_npctransport.ParticleFactory_color__set, doc=
r"""color_ : IMP::display::Color""")
2530 type_ = property(_IMP_npctransport.ParticleFactory_type__get, _IMP_npctransport.ParticleFactory_type__set, doc=
r"""type_ : IMP::core::ParticleType""")
2532 def __init__(self, *args):
2533 r"""__init__(ParticleFactory self, SimulationData sd, double radius, double D_factor, double angular_D_factor, Color color, ParticleType type, std::string name="Particle factory %1%") -> ParticleFactory"""
2534 _IMP_npctransport.ParticleFactory_swiginit(self, _IMP_npctransport.new_ParticleFactory(*args))
2536 def create(self, *args):
2537 r"""create(ParticleFactory self, std::string name="") -> Particle"""
2538 return _IMP_npctransport.ParticleFactory_create(self, *args)
2540 def get_model(self):
2541 r"""get_model(ParticleFactory self) -> Model"""
2542 return _IMP_npctransport.ParticleFactory_get_model(self)
2544 def get_simulation_data(self):
2545 r"""get_simulation_data(ParticleFactory self) -> SimulationData"""
2546 return _IMP_npctransport.ParticleFactory_get_simulation_data(self)
2548 def get_radius(self):
2549 r"""get_radius(ParticleFactory self) -> double"""
2550 return _IMP_npctransport.ParticleFactory_get_radius(self)
2552 def get_version_info(self):
2553 r"""get_version_info(ParticleFactory self) -> VersionInfo"""
2554 return _IMP_npctransport.ParticleFactory_get_version_info(self)
2555 __swig_destroy__ = _IMP_npctransport.delete_ParticleFactory
2558 r"""__str__(ParticleFactory self) -> std::string"""
2559 return _IMP_npctransport.ParticleFactory___str__(self)
2562 r"""__repr__(ParticleFactory self) -> std::string"""
2563 return _IMP_npctransport.ParticleFactory___repr__(self)
2567 return _object_cast_to_ParticleFactory(o)
2571 _IMP_npctransport.ParticleFactory_swigregister(ParticleFactory)
2573 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesLoadLink class."""
2575 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2577 def __init__(self, fh):
2578 r"""__init__(HierarchyWithSitesLoadLink self, FileConstHandle fh) -> HierarchyWithSitesLoadLink"""
2579 _IMP_npctransport.HierarchyWithSitesLoadLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesLoadLink(fh))
2583 r"""get_name() -> char const *"""
2584 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2587 r"""__str__(HierarchyWithSitesLoadLink self) -> std::string"""
2588 return _IMP_npctransport.HierarchyWithSitesLoadLink___str__(self)
2591 r"""__repr__(HierarchyWithSitesLoadLink self) -> std::string"""
2592 return _IMP_npctransport.HierarchyWithSitesLoadLink___repr__(self)
2596 return _object_cast_to_HierarchyWithSitesLoadLink(o)
2598 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesLoadLink
2601 _IMP_npctransport.HierarchyWithSitesLoadLink_swigregister(HierarchyWithSitesLoadLink)
2603 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesSaveLink class."""
2605 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2607 def __init__(self, fh):
2608 r"""__init__(HierarchyWithSitesSaveLink self, FileHandle fh) -> HierarchyWithSitesSaveLink"""
2609 _IMP_npctransport.HierarchyWithSitesSaveLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesSaveLink(fh))
2613 r"""get_name() -> char const *"""
2614 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2617 r"""__str__(HierarchyWithSitesSaveLink self) -> std::string"""
2618 return _IMP_npctransport.HierarchyWithSitesSaveLink___str__(self)
2621 r"""__repr__(HierarchyWithSitesSaveLink self) -> std::string"""
2622 return _IMP_npctransport.HierarchyWithSitesSaveLink___repr__(self)
2626 return _object_cast_to_HierarchyWithSitesSaveLink(o)
2628 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesSaveLink
2631 _IMP_npctransport.HierarchyWithSitesSaveLink_swigregister(HierarchyWithSitesSaveLink)
2635 add_test_sites(FileHandle fh, ParticleType t, double display_radius, IMP::algebra::Vector3Ds sites)
2636 add_test_sites(FileHandle fh, ParticleType t, IMP::algebra::Sphere3Ds sites)
2638 return _IMP_npctransport.add_test_sites(*args)
2642 add_hierarchies_with_sites(FileHandle fh, IMP::atom::Hierarchies const & hs)
2643 add_hierarchies_with_sites(NodeHandle fh, IMP::atom::Hierarchies const & hs)
2645 return _IMP_npctransport.add_hierarchies_with_sites(*args)
2648 r"""add_hierarchy_with_sites(FileHandle fh, Hierarchy hs)"""
2649 return _IMP_npctransport.add_hierarchy_with_sites(fh, hs)
2652 r"""create_hierarchies_with_sites(FileConstHandle fh, Model m) -> IMP::atom::Hierarchies"""
2653 return _IMP_npctransport.create_hierarchies_with_sites(fh, m)
2656 r"""link_hierarchies_with_sites(FileConstHandle fh, IMP::atom::Hierarchies const & hs)"""
2657 return _IMP_npctransport.link_hierarchies_with_sites(fh, hs)
2659 r"""Proxy of C++ IMP::npctransport::Transporting class."""
2661 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2663 def __init__(self, *args):
2665 __init__(Transporting self) -> Transporting
2666 __init__(Transporting self, Model m, ParticleIndex id) -> Transporting
2667 __init__(Transporting self, _ParticleAdaptor d) -> Transporting
2669 _IMP_npctransport.Transporting_swiginit(self, _IMP_npctransport.new_Transporting(*args))
2671 def show(self, *args):
2672 r"""show(Transporting self, _ostream out=std::cout)"""
2673 return _IMP_npctransport.Transporting_show(self, *args)
2676 def setup_particle(*args):
2678 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
2679 setup_particle(_ParticleAdaptor pa, bool is_last_entry_from_top=False) -> Transporting
2681 return _IMP_npctransport.Transporting_setup_particle(*args)
2684 def get_is_setup(*args):
2686 get_is_setup(_ParticleAdaptor p) -> bool
2687 get_is_setup(Model m, ParticleIndex pi) -> bool
2689 return _IMP_npctransport.Transporting_get_is_setup(*args)
2691 def set_is_last_entry_from_top(self, is_last_entry_from_top):
2692 r"""set_is_last_entry_from_top(Transporting self, bool is_last_entry_from_top)"""
2693 return _IMP_npctransport.Transporting_set_is_last_entry_from_top(self, is_last_entry_from_top)
2695 def get_is_last_entry_from_top(self):
2696 r"""get_is_last_entry_from_top(Transporting self) -> bool"""
2697 return _IMP_npctransport.Transporting_get_is_last_entry_from_top(self)
2700 def get_is_last_entry_from_top_key():
2701 r"""get_is_last_entry_from_top_key() -> IntKey"""
2702 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
2704 def set_last_tracked_z(self, last_tracked_z):
2705 r"""set_last_tracked_z(Transporting self, double last_tracked_z)"""
2706 return _IMP_npctransport.Transporting_set_last_tracked_z(self, last_tracked_z)
2708 def get_last_tracked_z(self):
2709 r"""get_last_tracked_z(Transporting self) -> double"""
2710 return _IMP_npctransport.Transporting_get_last_tracked_z(self)
2713 def get_last_tracked_z_key():
2714 r"""get_last_tracked_z_key() -> FloatKey"""
2715 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
2717 def set_n_entries_bottom(self, n):
2718 r"""set_n_entries_bottom(Transporting self, int n)"""
2719 return _IMP_npctransport.Transporting_set_n_entries_bottom(self, n)
2721 def get_n_entries_bottom(self):
2722 r"""get_n_entries_bottom(Transporting self) -> int"""
2723 return _IMP_npctransport.Transporting_get_n_entries_bottom(self)
2726 def get_n_entries_bottom_key():
2727 r"""get_n_entries_bottom_key() -> IntKey"""
2728 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
2730 def set_n_entries_top(self, n):
2731 r"""set_n_entries_top(Transporting self, int n)"""
2732 return _IMP_npctransport.Transporting_set_n_entries_top(self, n)
2734 def get_n_entries_top(self):
2735 r"""get_n_entries_top(Transporting self) -> int"""
2736 return _IMP_npctransport.Transporting_get_n_entries_top(self)
2739 def get_n_entries_top_key():
2740 r"""get_n_entries_top_key() -> IntKey"""
2741 return _IMP_npctransport.Transporting_get_n_entries_top_key()
2743 def add_attribute(self, *args):
2745 add_attribute(Transporting self, FloatKey k, IMP::Float v, bool opt)
2746 add_attribute(Transporting self, FloatKey a0, IMP::Float a1)
2747 add_attribute(Transporting self, IntKey a0, IMP::Int a1)
2748 add_attribute(Transporting self, FloatsKey a0, IMP::Floats a1)
2749 add_attribute(Transporting self, IntsKey a0, IMP::Ints a1)
2750 add_attribute(Transporting self, StringKey a0, IMP::String a1)
2751 add_attribute(Transporting self, ParticleIndexKey a0, Particle a1)
2752 add_attribute(Transporting self, ObjectKey a0, Object a1)
2753 add_attribute(Transporting self, SparseFloatKey a0, IMP::Float a1)
2754 add_attribute(Transporting self, SparseIntKey a0, IMP::Int a1)
2755 add_attribute(Transporting self, SparseStringKey a0, IMP::String a1)
2756 add_attribute(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2758 return _IMP_npctransport.Transporting_add_attribute(self, *args)
2760 def get_value(self, *args):
2762 get_value(Transporting self, FloatKey a0) -> IMP::Float
2763 get_value(Transporting self, IntKey a0) -> IMP::Int
2764 get_value(Transporting self, FloatsKey a0) -> IMP::Floats
2765 get_value(Transporting self, IntsKey a0) -> IMP::Ints
2766 get_value(Transporting self, StringKey a0) -> IMP::String
2767 get_value(Transporting self, ParticleIndexKey a0) -> Particle
2768 get_value(Transporting self, ObjectKey a0) -> Object
2769 get_value(Transporting self, SparseFloatKey a0) -> IMP::Float
2770 get_value(Transporting self, SparseIntKey a0) -> IMP::Int
2771 get_value(Transporting self, SparseStringKey a0) -> IMP::String
2772 get_value(Transporting self, SparseParticleIndexKey a0) -> ParticleIndex
2774 return _IMP_npctransport.Transporting_get_value(self, *args)
2776 def set_value(self, *args):
2778 set_value(Transporting self, FloatKey a0, IMP::Float a1)
2779 set_value(Transporting self, IntKey a0, IMP::Int a1)
2780 set_value(Transporting self, FloatsKey a0, IMP::Floats a1)
2781 set_value(Transporting self, IntsKey a0, IMP::Ints a1)
2782 set_value(Transporting self, StringKey a0, IMP::String a1)
2783 set_value(Transporting self, ParticleIndexKey a0, Particle a1)
2784 set_value(Transporting self, ObjectKey a0, Object a1)
2785 set_value(Transporting self, SparseFloatKey a0, IMP::Float a1)
2786 set_value(Transporting self, SparseIntKey a0, IMP::Int a1)
2787 set_value(Transporting self, SparseStringKey a0, IMP::String a1)
2788 set_value(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2790 return _IMP_npctransport.Transporting_set_value(self, *args)
2792 def remove_attribute(self, *args):
2794 remove_attribute(Transporting self, FloatKey a0)
2795 remove_attribute(Transporting self, IntKey a0)
2796 remove_attribute(Transporting self, FloatsKey a0)
2797 remove_attribute(Transporting self, IntsKey a0)
2798 remove_attribute(Transporting self, StringKey a0)
2799 remove_attribute(Transporting self, ParticleIndexKey a0)
2800 remove_attribute(Transporting self, ObjectKey a0)
2801 remove_attribute(Transporting self, SparseFloatKey a0)
2802 remove_attribute(Transporting self, SparseIntKey a0)
2803 remove_attribute(Transporting self, SparseStringKey a0)
2804 remove_attribute(Transporting self, SparseParticleIndexKey a0)
2806 return _IMP_npctransport.Transporting_remove_attribute(self, *args)
2808 def has_attribute(self, *args):
2810 has_attribute(Transporting self, FloatKey a0) -> bool
2811 has_attribute(Transporting self, IntKey a0) -> bool
2812 has_attribute(Transporting self, FloatsKey a0) -> bool
2813 has_attribute(Transporting self, IntsKey a0) -> bool
2814 has_attribute(Transporting self, StringKey a0) -> bool
2815 has_attribute(Transporting self, ParticleIndexKey a0) -> bool
2816 has_attribute(Transporting self, ObjectKey a0) -> bool
2817 has_attribute(Transporting self, SparseFloatKey a0) -> bool
2818 has_attribute(Transporting self, SparseIntKey a0) -> bool
2819 has_attribute(Transporting self, SparseStringKey a0) -> bool
2820 has_attribute(Transporting self, SparseParticleIndexKey a0) -> bool
2822 return _IMP_npctransport.Transporting_has_attribute(self, *args)
2824 def get_derivative(self, a0):
2825 r"""get_derivative(Transporting self, FloatKey a0) -> double"""
2826 return _IMP_npctransport.Transporting_get_derivative(self, a0)
2829 r"""get_name(Transporting self) -> std::string"""
2830 return _IMP_npctransport.Transporting_get_name(self)
2832 def clear_caches(self):
2833 r"""clear_caches(Transporting self)"""
2834 return _IMP_npctransport.Transporting_clear_caches(self)
2836 def set_name(self, a0):
2837 r"""set_name(Transporting self, std::string a0)"""
2838 return _IMP_npctransport.Transporting_set_name(self, a0)
2841 r"""set_check_level(Transporting self, IMP::CheckLevel a0)"""
2842 return _IMP_npctransport.Transporting_set_check_level(self, a0)
2844 def add_to_derivative(self, a0, a1, a2):
2845 r"""add_to_derivative(Transporting self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2846 return _IMP_npctransport.Transporting_add_to_derivative(self, a0, a1, a2)
2848 def set_is_optimized(self, a0, a1):
2849 r"""set_is_optimized(Transporting self, FloatKey a0, bool a1)"""
2850 return _IMP_npctransport.Transporting_set_is_optimized(self, a0, a1)
2852 def get_is_optimized(self, a0):
2853 r"""get_is_optimized(Transporting self, FloatKey a0) -> bool"""
2854 return _IMP_npctransport.Transporting_get_is_optimized(self, a0)
2857 r"""get_check_level(Transporting self) -> IMP::CheckLevel"""
2858 return _IMP_npctransport.Transporting_get_check_level(self)
2860 def __eq__(self, *args):
2862 __eq__(Transporting self, Transporting o) -> bool
2863 __eq__(Transporting self, Particle d) -> bool
2865 return _IMP_npctransport.Transporting___eq__(self, *args)
2867 def __ne__(self, *args):
2869 __ne__(Transporting self, Transporting o) -> bool
2870 __ne__(Transporting self, Particle d) -> bool
2872 return _IMP_npctransport.Transporting___ne__(self, *args)
2874 def __le__(self, *args):
2876 __le__(Transporting self, Transporting o) -> bool
2877 __le__(Transporting self, Particle d) -> bool
2879 return _IMP_npctransport.Transporting___le__(self, *args)
2881 def __lt__(self, *args):
2883 __lt__(Transporting self, Transporting o) -> bool
2884 __lt__(Transporting self, Particle d) -> bool
2886 return _IMP_npctransport.Transporting___lt__(self, *args)
2888 def __ge__(self, *args):
2890 __ge__(Transporting self, Transporting o) -> bool
2891 __ge__(Transporting self, Particle d) -> bool
2893 return _IMP_npctransport.Transporting___ge__(self, *args)
2895 def __gt__(self, *args):
2897 __gt__(Transporting self, Transporting o) -> bool
2898 __gt__(Transporting self, Particle d) -> bool
2900 return _IMP_npctransport.Transporting___gt__(self, *args)
2903 r"""__hash__(Transporting self) -> std::size_t"""
2904 return _IMP_npctransport.Transporting___hash__(self)
2907 r"""__str__(Transporting self) -> std::string"""
2908 return _IMP_npctransport.Transporting___str__(self)
2911 r"""__repr__(Transporting self) -> std::string"""
2912 return _IMP_npctransport.Transporting___repr__(self)
2914 def _get_as_binary(self):
2915 r"""_get_as_binary(Transporting self) -> PyObject *"""
2916 return _IMP_npctransport.Transporting__get_as_binary(self)
2918 def _set_from_binary(self, p):
2919 r"""_set_from_binary(Transporting self, PyObject * p)"""
2920 return _IMP_npctransport.Transporting__set_from_binary(self, p)
2922 def __getstate__(self):
2923 p = self._get_as_binary()
2924 if len(self.__dict__) > 1:
2925 d = self.__dict__.copy()
2930 def __setstate__(self, p):
2931 if not hasattr(self,
'this'):
2933 if isinstance(p, tuple):
2935 self.__dict__.update(d)
2936 return self._set_from_binary(p)
2938 __swig_destroy__ = _IMP_npctransport.delete_Transporting
2941 _IMP_npctransport.Transporting_swigregister(Transporting)
2943 def show_ranges(fname):
2944 r"""show_ranges(std::string fname)"""
2945 return _IMP_npctransport.show_ranges(fname)
2947 def assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed):
2948 r"""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"""
2949 return _IMP_npctransport.assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed)
2951 def get_number_of_work_units(configuration_file):
2952 r"""get_number_of_work_units(std::string configuration_file) -> int"""
2953 return _IMP_npctransport.get_number_of_work_units(configuration_file)
2955 r"""Proxy of C++ IMP::npctransport::SlabWithPore class."""
2957 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2959 def __init__(self, *args):
2961 __init__(SlabWithPore self) -> SlabWithPore
2962 __init__(SlabWithPore self, Model m, ParticleIndex id) -> SlabWithPore
2963 __init__(SlabWithPore self, _ParticleAdaptor d) -> SlabWithPore
2965 _IMP_npctransport.SlabWithPore_swiginit(self, _IMP_npctransport.new_SlabWithPore(*args))
2967 def show(self, *args):
2968 r"""show(SlabWithPore self, _ostream out=std::cout)"""
2969 return _IMP_npctransport.SlabWithPore_show(self, *args)
2972 def setup_particle(*args):
2974 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
2975 setup_particle(_ParticleAdaptor pa, double thickness, double pore_radius) -> SlabWithPore
2977 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
2980 def get_is_setup(*args):
2982 get_is_setup(_ParticleAdaptor p) -> bool
2983 get_is_setup(Model m, ParticleIndex pi) -> bool
2985 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
2987 def set_thickness(self, thickness):
2988 r"""set_thickness(SlabWithPore self, double thickness)"""
2989 return _IMP_npctransport.SlabWithPore_set_thickness(self, thickness)
2991 def get_thickness(self):
2992 r"""get_thickness(SlabWithPore self) -> IMP::Float"""
2993 return _IMP_npctransport.SlabWithPore_get_thickness(self)
2995 def get_pore_radius(self):
2996 r"""get_pore_radius(SlabWithPore self) -> IMP::Float"""
2997 return _IMP_npctransport.SlabWithPore_get_pore_radius(self)
2999 def set_pore_radius(self, r):
3000 r"""set_pore_radius(SlabWithPore self, double r)"""
3001 return _IMP_npctransport.SlabWithPore_set_pore_radius(self, r)
3003 def add_to_pore_radius_derivative(self, v, d):
3004 r"""add_to_pore_radius_derivative(SlabWithPore self, double v, DerivativeAccumulator d)"""
3005 return _IMP_npctransport.SlabWithPore_add_to_pore_radius_derivative(self, v, d)
3007 def get_pore_radius_is_optimized(self):
3008 r"""get_pore_radius_is_optimized(SlabWithPore self) -> bool"""
3009 return _IMP_npctransport.SlabWithPore_get_pore_radius_is_optimized(self)
3011 def set_pore_radius_is_optimized(self, tf):
3012 r"""set_pore_radius_is_optimized(SlabWithPore self, bool tf)"""
3013 return _IMP_npctransport.SlabWithPore_set_pore_radius_is_optimized(self, tf)
3016 def get_thickness_key():
3017 r"""get_thickness_key() -> FloatKey"""
3018 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3021 def get_pore_radius_key():
3022 r"""get_pore_radius_key() -> FloatKey"""
3023 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3025 def add_attribute(self, *args):
3027 add_attribute(SlabWithPore self, FloatKey k, IMP::Float v, bool opt)
3028 add_attribute(SlabWithPore self, FloatKey a0, IMP::Float a1)
3029 add_attribute(SlabWithPore self, IntKey a0, IMP::Int a1)
3030 add_attribute(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3031 add_attribute(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3032 add_attribute(SlabWithPore self, StringKey a0, IMP::String a1)
3033 add_attribute(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3034 add_attribute(SlabWithPore self, ObjectKey a0, Object a1)
3035 add_attribute(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3036 add_attribute(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3037 add_attribute(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3038 add_attribute(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3040 return _IMP_npctransport.SlabWithPore_add_attribute(self, *args)
3042 def get_value(self, *args):
3044 get_value(SlabWithPore self, FloatKey a0) -> IMP::Float
3045 get_value(SlabWithPore self, IntKey a0) -> IMP::Int
3046 get_value(SlabWithPore self, FloatsKey a0) -> IMP::Floats
3047 get_value(SlabWithPore self, IntsKey a0) -> IMP::Ints
3048 get_value(SlabWithPore self, StringKey a0) -> IMP::String
3049 get_value(SlabWithPore self, ParticleIndexKey a0) -> Particle
3050 get_value(SlabWithPore self, ObjectKey a0) -> Object
3051 get_value(SlabWithPore self, SparseFloatKey a0) -> IMP::Float
3052 get_value(SlabWithPore self, SparseIntKey a0) -> IMP::Int
3053 get_value(SlabWithPore self, SparseStringKey a0) -> IMP::String
3054 get_value(SlabWithPore self, SparseParticleIndexKey a0) -> ParticleIndex
3056 return _IMP_npctransport.SlabWithPore_get_value(self, *args)
3058 def set_value(self, *args):
3060 set_value(SlabWithPore self, FloatKey a0, IMP::Float a1)
3061 set_value(SlabWithPore self, IntKey a0, IMP::Int a1)
3062 set_value(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3063 set_value(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3064 set_value(SlabWithPore self, StringKey a0, IMP::String a1)
3065 set_value(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3066 set_value(SlabWithPore self, ObjectKey a0, Object a1)
3067 set_value(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3068 set_value(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3069 set_value(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3070 set_value(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3072 return _IMP_npctransport.SlabWithPore_set_value(self, *args)
3074 def remove_attribute(self, *args):
3076 remove_attribute(SlabWithPore self, FloatKey a0)
3077 remove_attribute(SlabWithPore self, IntKey a0)
3078 remove_attribute(SlabWithPore self, FloatsKey a0)
3079 remove_attribute(SlabWithPore self, IntsKey a0)
3080 remove_attribute(SlabWithPore self, StringKey a0)
3081 remove_attribute(SlabWithPore self, ParticleIndexKey a0)
3082 remove_attribute(SlabWithPore self, ObjectKey a0)
3083 remove_attribute(SlabWithPore self, SparseFloatKey a0)
3084 remove_attribute(SlabWithPore self, SparseIntKey a0)
3085 remove_attribute(SlabWithPore self, SparseStringKey a0)
3086 remove_attribute(SlabWithPore self, SparseParticleIndexKey a0)
3088 return _IMP_npctransport.SlabWithPore_remove_attribute(self, *args)
3090 def has_attribute(self, *args):
3092 has_attribute(SlabWithPore self, FloatKey a0) -> bool
3093 has_attribute(SlabWithPore self, IntKey a0) -> bool
3094 has_attribute(SlabWithPore self, FloatsKey a0) -> bool
3095 has_attribute(SlabWithPore self, IntsKey a0) -> bool
3096 has_attribute(SlabWithPore self, StringKey a0) -> bool
3097 has_attribute(SlabWithPore self, ParticleIndexKey a0) -> bool
3098 has_attribute(SlabWithPore self, ObjectKey a0) -> bool
3099 has_attribute(SlabWithPore self, SparseFloatKey a0) -> bool
3100 has_attribute(SlabWithPore self, SparseIntKey a0) -> bool
3101 has_attribute(SlabWithPore self, SparseStringKey a0) -> bool
3102 has_attribute(SlabWithPore self, SparseParticleIndexKey a0) -> bool
3104 return _IMP_npctransport.SlabWithPore_has_attribute(self, *args)
3106 def get_derivative(self, a0):
3107 r"""get_derivative(SlabWithPore self, FloatKey a0) -> double"""
3108 return _IMP_npctransport.SlabWithPore_get_derivative(self, a0)
3111 r"""get_name(SlabWithPore self) -> std::string"""
3112 return _IMP_npctransport.SlabWithPore_get_name(self)
3114 def clear_caches(self):
3115 r"""clear_caches(SlabWithPore self)"""
3116 return _IMP_npctransport.SlabWithPore_clear_caches(self)
3118 def set_name(self, a0):
3119 r"""set_name(SlabWithPore self, std::string a0)"""
3120 return _IMP_npctransport.SlabWithPore_set_name(self, a0)
3123 r"""set_check_level(SlabWithPore self, IMP::CheckLevel a0)"""
3124 return _IMP_npctransport.SlabWithPore_set_check_level(self, a0)
3126 def add_to_derivative(self, a0, a1, a2):
3127 r"""add_to_derivative(SlabWithPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3128 return _IMP_npctransport.SlabWithPore_add_to_derivative(self, a0, a1, a2)
3130 def set_is_optimized(self, a0, a1):
3131 r"""set_is_optimized(SlabWithPore self, FloatKey a0, bool a1)"""
3132 return _IMP_npctransport.SlabWithPore_set_is_optimized(self, a0, a1)
3134 def get_is_optimized(self, a0):
3135 r"""get_is_optimized(SlabWithPore self, FloatKey a0) -> bool"""
3136 return _IMP_npctransport.SlabWithPore_get_is_optimized(self, a0)
3139 r"""get_check_level(SlabWithPore self) -> IMP::CheckLevel"""
3140 return _IMP_npctransport.SlabWithPore_get_check_level(self)
3142 def __eq__(self, *args):
3144 __eq__(SlabWithPore self, SlabWithPore o) -> bool
3145 __eq__(SlabWithPore self, Particle d) -> bool
3147 return _IMP_npctransport.SlabWithPore___eq__(self, *args)
3149 def __ne__(self, *args):
3151 __ne__(SlabWithPore self, SlabWithPore o) -> bool
3152 __ne__(SlabWithPore self, Particle d) -> bool
3154 return _IMP_npctransport.SlabWithPore___ne__(self, *args)
3156 def __le__(self, *args):
3158 __le__(SlabWithPore self, SlabWithPore o) -> bool
3159 __le__(SlabWithPore self, Particle d) -> bool
3161 return _IMP_npctransport.SlabWithPore___le__(self, *args)
3163 def __lt__(self, *args):
3165 __lt__(SlabWithPore self, SlabWithPore o) -> bool
3166 __lt__(SlabWithPore self, Particle d) -> bool
3168 return _IMP_npctransport.SlabWithPore___lt__(self, *args)
3170 def __ge__(self, *args):
3172 __ge__(SlabWithPore self, SlabWithPore o) -> bool
3173 __ge__(SlabWithPore self, Particle d) -> bool
3175 return _IMP_npctransport.SlabWithPore___ge__(self, *args)
3177 def __gt__(self, *args):
3179 __gt__(SlabWithPore self, SlabWithPore o) -> bool
3180 __gt__(SlabWithPore self, Particle d) -> bool
3182 return _IMP_npctransport.SlabWithPore___gt__(self, *args)
3185 r"""__hash__(SlabWithPore self) -> std::size_t"""
3186 return _IMP_npctransport.SlabWithPore___hash__(self)
3189 r"""__str__(SlabWithPore self) -> std::string"""
3190 return _IMP_npctransport.SlabWithPore___str__(self)
3193 r"""__repr__(SlabWithPore self) -> std::string"""
3194 return _IMP_npctransport.SlabWithPore___repr__(self)
3196 def _get_as_binary(self):
3197 r"""_get_as_binary(SlabWithPore self) -> PyObject *"""
3198 return _IMP_npctransport.SlabWithPore__get_as_binary(self)
3200 def _set_from_binary(self, p):
3201 r"""_set_from_binary(SlabWithPore self, PyObject * p)"""
3202 return _IMP_npctransport.SlabWithPore__set_from_binary(self, p)
3204 def __getstate__(self):
3205 p = self._get_as_binary()
3206 if len(self.__dict__) > 1:
3207 d = self.__dict__.copy()
3212 def __setstate__(self, p):
3213 if not hasattr(self,
'this'):
3215 if isinstance(p, tuple):
3217 self.__dict__.update(d)
3218 return self._set_from_binary(p)
3220 __swig_destroy__ = _IMP_npctransport.delete_SlabWithPore
3223 _IMP_npctransport.SlabWithPore_swigregister(SlabWithPore)
3224 class SlabWithCylindricalPore(SlabWithPore):
3225 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPore class."""
3227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3229 def __init__(self, *args):
3231 __init__(SlabWithCylindricalPore self) -> SlabWithCylindricalPore
3232 __init__(SlabWithCylindricalPore self, Model m, ParticleIndex id) -> SlabWithCylindricalPore
3233 __init__(SlabWithCylindricalPore self, _ParticleAdaptor d) -> SlabWithCylindricalPore
3235 _IMP_npctransport.SlabWithCylindricalPore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPore(*args))
3237 def show(self, *args):
3238 r"""show(SlabWithCylindricalPore self, _ostream out=std::cout)"""
3239 return _IMP_npctransport.SlabWithCylindricalPore_show(self, *args)
3242 def setup_particle(*args):
3244 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3245 setup_particle(_ParticleAdaptor pa, double thickness, double radius) -> SlabWithCylindricalPore
3247 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3250 def get_is_setup(*args):
3252 get_is_setup(_ParticleAdaptor p) -> bool
3253 get_is_setup(Model m, ParticleIndex pi) -> bool
3255 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3258 def get_cylindrical_pore_key():
3259 r"""get_cylindrical_pore_key() -> IntKey"""
3260 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3262 def add_attribute(self, *args):
3264 add_attribute(SlabWithCylindricalPore self, FloatKey k, IMP::Float v, bool opt)
3265 add_attribute(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3266 add_attribute(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3267 add_attribute(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3268 add_attribute(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3269 add_attribute(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3270 add_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3271 add_attribute(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3272 add_attribute(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3273 add_attribute(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3274 add_attribute(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3275 add_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3277 return _IMP_npctransport.SlabWithCylindricalPore_add_attribute(self, *args)
3279 def get_value(self, *args):
3281 get_value(SlabWithCylindricalPore self, FloatKey a0) -> IMP::Float
3282 get_value(SlabWithCylindricalPore self, IntKey a0) -> IMP::Int
3283 get_value(SlabWithCylindricalPore self, FloatsKey a0) -> IMP::Floats
3284 get_value(SlabWithCylindricalPore self, IntsKey a0) -> IMP::Ints
3285 get_value(SlabWithCylindricalPore self, StringKey a0) -> IMP::String
3286 get_value(SlabWithCylindricalPore self, ParticleIndexKey a0) -> Particle
3287 get_value(SlabWithCylindricalPore self, ObjectKey a0) -> Object
3288 get_value(SlabWithCylindricalPore self, SparseFloatKey a0) -> IMP::Float
3289 get_value(SlabWithCylindricalPore self, SparseIntKey a0) -> IMP::Int
3290 get_value(SlabWithCylindricalPore self, SparseStringKey a0) -> IMP::String
3291 get_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3293 return _IMP_npctransport.SlabWithCylindricalPore_get_value(self, *args)
3295 def set_value(self, *args):
3297 set_value(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3298 set_value(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3299 set_value(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3300 set_value(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3301 set_value(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3302 set_value(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3303 set_value(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3304 set_value(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3305 set_value(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3306 set_value(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3307 set_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3309 return _IMP_npctransport.SlabWithCylindricalPore_set_value(self, *args)
3311 def remove_attribute(self, *args):
3313 remove_attribute(SlabWithCylindricalPore self, FloatKey a0)
3314 remove_attribute(SlabWithCylindricalPore self, IntKey a0)
3315 remove_attribute(SlabWithCylindricalPore self, FloatsKey a0)
3316 remove_attribute(SlabWithCylindricalPore self, IntsKey a0)
3317 remove_attribute(SlabWithCylindricalPore self, StringKey a0)
3318 remove_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0)
3319 remove_attribute(SlabWithCylindricalPore self, ObjectKey a0)
3320 remove_attribute(SlabWithCylindricalPore self, SparseFloatKey a0)
3321 remove_attribute(SlabWithCylindricalPore self, SparseIntKey a0)
3322 remove_attribute(SlabWithCylindricalPore self, SparseStringKey a0)
3323 remove_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0)
3325 return _IMP_npctransport.SlabWithCylindricalPore_remove_attribute(self, *args)
3327 def has_attribute(self, *args):
3329 has_attribute(SlabWithCylindricalPore self, FloatKey a0) -> bool
3330 has_attribute(SlabWithCylindricalPore self, IntKey a0) -> bool
3331 has_attribute(SlabWithCylindricalPore self, FloatsKey a0) -> bool
3332 has_attribute(SlabWithCylindricalPore self, IntsKey a0) -> bool
3333 has_attribute(SlabWithCylindricalPore self, StringKey a0) -> bool
3334 has_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0) -> bool
3335 has_attribute(SlabWithCylindricalPore self, ObjectKey a0) -> bool
3336 has_attribute(SlabWithCylindricalPore self, SparseFloatKey a0) -> bool
3337 has_attribute(SlabWithCylindricalPore self, SparseIntKey a0) -> bool
3338 has_attribute(SlabWithCylindricalPore self, SparseStringKey a0) -> bool
3339 has_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> bool
3341 return _IMP_npctransport.SlabWithCylindricalPore_has_attribute(self, *args)
3343 def get_derivative(self, a0):
3344 r"""get_derivative(SlabWithCylindricalPore self, FloatKey a0) -> double"""
3345 return _IMP_npctransport.SlabWithCylindricalPore_get_derivative(self, a0)
3348 r"""get_name(SlabWithCylindricalPore self) -> std::string"""
3349 return _IMP_npctransport.SlabWithCylindricalPore_get_name(self)
3351 def clear_caches(self):
3352 r"""clear_caches(SlabWithCylindricalPore self)"""
3353 return _IMP_npctransport.SlabWithCylindricalPore_clear_caches(self)
3355 def set_name(self, a0):
3356 r"""set_name(SlabWithCylindricalPore self, std::string a0)"""
3357 return _IMP_npctransport.SlabWithCylindricalPore_set_name(self, a0)
3360 r"""set_check_level(SlabWithCylindricalPore self, IMP::CheckLevel a0)"""
3361 return _IMP_npctransport.SlabWithCylindricalPore_set_check_level(self, a0)
3363 def add_to_derivative(self, a0, a1, a2):
3364 r"""add_to_derivative(SlabWithCylindricalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3365 return _IMP_npctransport.SlabWithCylindricalPore_add_to_derivative(self, a0, a1, a2)
3367 def set_is_optimized(self, a0, a1):
3368 r"""set_is_optimized(SlabWithCylindricalPore self, FloatKey a0, bool a1)"""
3369 return _IMP_npctransport.SlabWithCylindricalPore_set_is_optimized(self, a0, a1)
3371 def get_is_optimized(self, a0):
3372 r"""get_is_optimized(SlabWithCylindricalPore self, FloatKey a0) -> bool"""
3373 return _IMP_npctransport.SlabWithCylindricalPore_get_is_optimized(self, a0)
3376 r"""get_check_level(SlabWithCylindricalPore self) -> IMP::CheckLevel"""
3377 return _IMP_npctransport.SlabWithCylindricalPore_get_check_level(self)
3379 def __eq__(self, *args):
3381 __eq__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3382 __eq__(SlabWithCylindricalPore self, Particle d) -> bool
3384 return _IMP_npctransport.SlabWithCylindricalPore___eq__(self, *args)
3386 def __ne__(self, *args):
3388 __ne__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3389 __ne__(SlabWithCylindricalPore self, Particle d) -> bool
3391 return _IMP_npctransport.SlabWithCylindricalPore___ne__(self, *args)
3393 def __le__(self, *args):
3395 __le__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3396 __le__(SlabWithCylindricalPore self, Particle d) -> bool
3398 return _IMP_npctransport.SlabWithCylindricalPore___le__(self, *args)
3400 def __lt__(self, *args):
3402 __lt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3403 __lt__(SlabWithCylindricalPore self, Particle d) -> bool
3405 return _IMP_npctransport.SlabWithCylindricalPore___lt__(self, *args)
3407 def __ge__(self, *args):
3409 __ge__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3410 __ge__(SlabWithCylindricalPore self, Particle d) -> bool
3412 return _IMP_npctransport.SlabWithCylindricalPore___ge__(self, *args)
3414 def __gt__(self, *args):
3416 __gt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3417 __gt__(SlabWithCylindricalPore self, Particle d) -> bool
3419 return _IMP_npctransport.SlabWithCylindricalPore___gt__(self, *args)
3422 r"""__hash__(SlabWithCylindricalPore self) -> std::size_t"""
3423 return _IMP_npctransport.SlabWithCylindricalPore___hash__(self)
3426 r"""__str__(SlabWithCylindricalPore self) -> std::string"""
3427 return _IMP_npctransport.SlabWithCylindricalPore___str__(self)
3430 r"""__repr__(SlabWithCylindricalPore self) -> std::string"""
3431 return _IMP_npctransport.SlabWithCylindricalPore___repr__(self)
3433 def _get_as_binary(self):
3434 r"""_get_as_binary(SlabWithCylindricalPore self) -> PyObject *"""
3435 return _IMP_npctransport.SlabWithCylindricalPore__get_as_binary(self)
3437 def _set_from_binary(self, p):
3438 r"""_set_from_binary(SlabWithCylindricalPore self, PyObject * p)"""
3439 return _IMP_npctransport.SlabWithCylindricalPore__set_from_binary(self, p)
3441 def __getstate__(self):
3442 p = self._get_as_binary()
3443 if len(self.__dict__) > 1:
3444 d = self.__dict__.copy()
3449 def __setstate__(self, p):
3450 if not hasattr(self,
'this'):
3452 if isinstance(p, tuple):
3454 self.__dict__.update(d)
3455 return self._set_from_binary(p)
3457 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPore
3460 _IMP_npctransport.SlabWithCylindricalPore_swigregister(SlabWithCylindricalPore)
3461 class SlabWithToroidalPore(SlabWithPore):
3462 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPore class."""
3464 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3466 def __init__(self, *args):
3468 __init__(SlabWithToroidalPore self) -> SlabWithToroidalPore
3469 __init__(SlabWithToroidalPore self, Model m, ParticleIndex id) -> SlabWithToroidalPore
3470 __init__(SlabWithToroidalPore self, _ParticleAdaptor d) -> SlabWithToroidalPore
3472 _IMP_npctransport.SlabWithToroidalPore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPore(*args))
3474 def show(self, *args):
3475 r"""show(SlabWithToroidalPore self, _ostream out=std::cout)"""
3476 return _IMP_npctransport.SlabWithToroidalPore_show(self, *args)
3479 def setup_particle(*args):
3481 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3482 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius) -> SlabWithToroidalPore
3483 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3484 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3486 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3489 def get_is_setup(*args):
3491 get_is_setup(_ParticleAdaptor p) -> bool
3492 get_is_setup(Model m, ParticleIndex pi) -> bool
3494 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3496 def set_minor_radius_h2v_aspect_ratio(self, aspect_ratio):
3497 r"""set_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self, double aspect_ratio)"""
3498 return _IMP_npctransport.SlabWithToroidalPore_set_minor_radius_h2v_aspect_ratio(self, aspect_ratio)
3500 def get_minor_radius_h2v_aspect_ratio(self):
3501 r"""get_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self) -> double"""
3502 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio(self)
3504 def get_vertical_minor_radius(self):
3505 r"""get_vertical_minor_radius(SlabWithToroidalPore self) -> double"""
3506 return _IMP_npctransport.SlabWithToroidalPore_get_vertical_minor_radius(self)
3508 def set_vertical_minor_radius(self, rv):
3509 r"""set_vertical_minor_radius(SlabWithToroidalPore self, double rv)"""
3510 return _IMP_npctransport.SlabWithToroidalPore_set_vertical_minor_radius(self, rv)
3512 def get_horizontal_minor_radius(self):
3513 r"""get_horizontal_minor_radius(SlabWithToroidalPore self) -> double"""
3514 return _IMP_npctransport.SlabWithToroidalPore_get_horizontal_minor_radius(self)
3516 def set_horizontal_minor_radius(self, rh):
3517 r"""set_horizontal_minor_radius(SlabWithToroidalPore self, double rh)"""
3518 return _IMP_npctransport.SlabWithToroidalPore_set_horizontal_minor_radius(self, rh)
3521 def get_minor_radius_h2v_aspect_ratio_key():
3522 r"""get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3523 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3526 def get_toroidal_pore_key():
3527 r"""get_toroidal_pore_key() -> IntKey"""
3528 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3530 def add_attribute(self, *args):
3532 add_attribute(SlabWithToroidalPore self, FloatKey k, IMP::Float v, bool opt)
3533 add_attribute(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3534 add_attribute(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3535 add_attribute(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3536 add_attribute(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3537 add_attribute(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3538 add_attribute(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3539 add_attribute(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3540 add_attribute(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3541 add_attribute(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3542 add_attribute(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3543 add_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3545 return _IMP_npctransport.SlabWithToroidalPore_add_attribute(self, *args)
3547 def get_value(self, *args):
3549 get_value(SlabWithToroidalPore self, FloatKey a0) -> IMP::Float
3550 get_value(SlabWithToroidalPore self, IntKey a0) -> IMP::Int
3551 get_value(SlabWithToroidalPore self, FloatsKey a0) -> IMP::Floats
3552 get_value(SlabWithToroidalPore self, IntsKey a0) -> IMP::Ints
3553 get_value(SlabWithToroidalPore self, StringKey a0) -> IMP::String
3554 get_value(SlabWithToroidalPore self, ParticleIndexKey a0) -> Particle
3555 get_value(SlabWithToroidalPore self, ObjectKey a0) -> Object
3556 get_value(SlabWithToroidalPore self, SparseFloatKey a0) -> IMP::Float
3557 get_value(SlabWithToroidalPore self, SparseIntKey a0) -> IMP::Int
3558 get_value(SlabWithToroidalPore self, SparseStringKey a0) -> IMP::String
3559 get_value(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3561 return _IMP_npctransport.SlabWithToroidalPore_get_value(self, *args)
3563 def set_value(self, *args):
3565 set_value(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3566 set_value(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3567 set_value(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3568 set_value(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3569 set_value(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3570 set_value(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3571 set_value(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3572 set_value(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3573 set_value(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3574 set_value(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3575 set_value(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3577 return _IMP_npctransport.SlabWithToroidalPore_set_value(self, *args)
3579 def remove_attribute(self, *args):
3581 remove_attribute(SlabWithToroidalPore self, FloatKey a0)
3582 remove_attribute(SlabWithToroidalPore self, IntKey a0)
3583 remove_attribute(SlabWithToroidalPore self, FloatsKey a0)
3584 remove_attribute(SlabWithToroidalPore self, IntsKey a0)
3585 remove_attribute(SlabWithToroidalPore self, StringKey a0)
3586 remove_attribute(SlabWithToroidalPore self, ParticleIndexKey a0)
3587 remove_attribute(SlabWithToroidalPore self, ObjectKey a0)
3588 remove_attribute(SlabWithToroidalPore self, SparseFloatKey a0)
3589 remove_attribute(SlabWithToroidalPore self, SparseIntKey a0)
3590 remove_attribute(SlabWithToroidalPore self, SparseStringKey a0)
3591 remove_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0)
3593 return _IMP_npctransport.SlabWithToroidalPore_remove_attribute(self, *args)
3595 def has_attribute(self, *args):
3597 has_attribute(SlabWithToroidalPore self, FloatKey a0) -> bool
3598 has_attribute(SlabWithToroidalPore self, IntKey a0) -> bool
3599 has_attribute(SlabWithToroidalPore self, FloatsKey a0) -> bool
3600 has_attribute(SlabWithToroidalPore self, IntsKey a0) -> bool
3601 has_attribute(SlabWithToroidalPore self, StringKey a0) -> bool
3602 has_attribute(SlabWithToroidalPore self, ParticleIndexKey a0) -> bool
3603 has_attribute(SlabWithToroidalPore self, ObjectKey a0) -> bool
3604 has_attribute(SlabWithToroidalPore self, SparseFloatKey a0) -> bool
3605 has_attribute(SlabWithToroidalPore self, SparseIntKey a0) -> bool
3606 has_attribute(SlabWithToroidalPore self, SparseStringKey a0) -> bool
3607 has_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> bool
3609 return _IMP_npctransport.SlabWithToroidalPore_has_attribute(self, *args)
3611 def get_derivative(self, a0):
3612 r"""get_derivative(SlabWithToroidalPore self, FloatKey a0) -> double"""
3613 return _IMP_npctransport.SlabWithToroidalPore_get_derivative(self, a0)
3616 r"""get_name(SlabWithToroidalPore self) -> std::string"""
3617 return _IMP_npctransport.SlabWithToroidalPore_get_name(self)
3619 def clear_caches(self):
3620 r"""clear_caches(SlabWithToroidalPore self)"""
3621 return _IMP_npctransport.SlabWithToroidalPore_clear_caches(self)
3623 def set_name(self, a0):
3624 r"""set_name(SlabWithToroidalPore self, std::string a0)"""
3625 return _IMP_npctransport.SlabWithToroidalPore_set_name(self, a0)
3628 r"""set_check_level(SlabWithToroidalPore self, IMP::CheckLevel a0)"""
3629 return _IMP_npctransport.SlabWithToroidalPore_set_check_level(self, a0)
3631 def add_to_derivative(self, a0, a1, a2):
3632 r"""add_to_derivative(SlabWithToroidalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3633 return _IMP_npctransport.SlabWithToroidalPore_add_to_derivative(self, a0, a1, a2)
3635 def set_is_optimized(self, a0, a1):
3636 r"""set_is_optimized(SlabWithToroidalPore self, FloatKey a0, bool a1)"""
3637 return _IMP_npctransport.SlabWithToroidalPore_set_is_optimized(self, a0, a1)
3639 def get_is_optimized(self, a0):
3640 r"""get_is_optimized(SlabWithToroidalPore self, FloatKey a0) -> bool"""
3641 return _IMP_npctransport.SlabWithToroidalPore_get_is_optimized(self, a0)
3644 r"""get_check_level(SlabWithToroidalPore self) -> IMP::CheckLevel"""
3645 return _IMP_npctransport.SlabWithToroidalPore_get_check_level(self)
3647 def __eq__(self, *args):
3649 __eq__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3650 __eq__(SlabWithToroidalPore self, Particle d) -> bool
3652 return _IMP_npctransport.SlabWithToroidalPore___eq__(self, *args)
3654 def __ne__(self, *args):
3656 __ne__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3657 __ne__(SlabWithToroidalPore self, Particle d) -> bool
3659 return _IMP_npctransport.SlabWithToroidalPore___ne__(self, *args)
3661 def __le__(self, *args):
3663 __le__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3664 __le__(SlabWithToroidalPore self, Particle d) -> bool
3666 return _IMP_npctransport.SlabWithToroidalPore___le__(self, *args)
3668 def __lt__(self, *args):
3670 __lt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3671 __lt__(SlabWithToroidalPore self, Particle d) -> bool
3673 return _IMP_npctransport.SlabWithToroidalPore___lt__(self, *args)
3675 def __ge__(self, *args):
3677 __ge__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3678 __ge__(SlabWithToroidalPore self, Particle d) -> bool
3680 return _IMP_npctransport.SlabWithToroidalPore___ge__(self, *args)
3682 def __gt__(self, *args):
3684 __gt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3685 __gt__(SlabWithToroidalPore self, Particle d) -> bool
3687 return _IMP_npctransport.SlabWithToroidalPore___gt__(self, *args)
3690 r"""__hash__(SlabWithToroidalPore self) -> std::size_t"""
3691 return _IMP_npctransport.SlabWithToroidalPore___hash__(self)
3694 r"""__str__(SlabWithToroidalPore self) -> std::string"""
3695 return _IMP_npctransport.SlabWithToroidalPore___str__(self)
3698 r"""__repr__(SlabWithToroidalPore self) -> std::string"""
3699 return _IMP_npctransport.SlabWithToroidalPore___repr__(self)
3701 def _get_as_binary(self):
3702 r"""_get_as_binary(SlabWithToroidalPore self) -> PyObject *"""
3703 return _IMP_npctransport.SlabWithToroidalPore__get_as_binary(self)
3705 def _set_from_binary(self, p):
3706 r"""_set_from_binary(SlabWithToroidalPore self, PyObject * p)"""
3707 return _IMP_npctransport.SlabWithToroidalPore__set_from_binary(self, p)
3709 def __getstate__(self):
3710 p = self._get_as_binary()
3711 if len(self.__dict__) > 1:
3712 d = self.__dict__.copy()
3717 def __setstate__(self, p):
3718 if not hasattr(self,
'this'):
3720 if isinstance(p, tuple):
3722 self.__dict__.update(d)
3723 return self._set_from_binary(p)
3725 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPore
3728 _IMP_npctransport.SlabWithToroidalPore_swigregister(SlabWithToroidalPore)
3730 def __lshift__(*args):
3732 __lshift__(_ostream out, RelaxingSpring n) -> _ostream
3733 __lshift__(_ostream out, Transporting n) -> _ostream
3734 __lshift__(_ostream out, SlabWithPore n) -> _ostream
3735 __lshift__(_ostream out, SlabWithCylindricalPore n) -> _ostream
3736 __lshift__(_ostream out, SlabWithToroidalPore n) -> _ostream
3738 return _IMP_npctransport.__lshift__(*args)
3740 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPorePairScore class."""
3742 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3744 def __init__(self, k):
3745 r"""__init__(SlabWithCylindricalPorePairScore self, double k) -> SlabWithCylindricalPorePairScore"""
3746 _IMP_npctransport.SlabWithCylindricalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPorePairScore(k))
3748 def get_displacement_direction(self, slab, v):
3749 r"""get_displacement_direction(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> Vector3D"""
3750 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_direction(self, slab, v)
3752 def get_displacement_magnitude(self, slab, v):
3753 r"""get_displacement_magnitude(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> double"""
3754 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_magnitude(self, slab, v)
3756 def do_get_inputs(self, m, pis):
3757 r"""do_get_inputs(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3758 return _IMP_npctransport.SlabWithCylindricalPorePairScore_do_get_inputs(self, m, pis)
3760 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3761 r"""evaluate_indexes(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexPairs const & pips, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3762 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3764 def evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3765 r"""evaluate_if_good_indexes(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexPairs const & pips, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3766 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked)
3768 def get_version_info(self):
3769 r"""get_version_info(SlabWithCylindricalPorePairScore self) -> VersionInfo"""
3770 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_version_info(self)
3771 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPorePairScore
3774 r"""__str__(SlabWithCylindricalPorePairScore self) -> std::string"""
3775 return _IMP_npctransport.SlabWithCylindricalPorePairScore___str__(self)
3778 r"""__repr__(SlabWithCylindricalPorePairScore self) -> std::string"""
3779 return _IMP_npctransport.SlabWithCylindricalPorePairScore___repr__(self)
3783 return _object_cast_to_SlabWithCylindricalPorePairScore(o)
3787 _IMP_npctransport.SlabWithCylindricalPorePairScore_swigregister(SlabWithCylindricalPorePairScore)
3789 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPorePairScore class."""
3791 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3793 def __init__(self, k):
3794 r"""__init__(SlabWithToroidalPorePairScore self, double k) -> SlabWithToroidalPorePairScore"""
3795 _IMP_npctransport.SlabWithToroidalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPorePairScore(k))
3797 def do_get_inputs(self, m, pis):
3798 r"""do_get_inputs(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3799 return _IMP_npctransport.SlabWithToroidalPorePairScore_do_get_inputs(self, m, pis)
3801 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3802 r"""evaluate_indexes(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexPairs const & pips, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3803 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3805 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3806 r"""evaluate_if_good_indexes(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3807 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3809 def get_version_info(self):
3810 r"""get_version_info(SlabWithToroidalPorePairScore self) -> VersionInfo"""
3811 return _IMP_npctransport.SlabWithToroidalPorePairScore_get_version_info(self)
3812 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPorePairScore
3815 r"""__str__(SlabWithToroidalPorePairScore self) -> std::string"""
3816 return _IMP_npctransport.SlabWithToroidalPorePairScore___str__(self)
3819 r"""__repr__(SlabWithToroidalPorePairScore self) -> std::string"""
3820 return _IMP_npctransport.SlabWithToroidalPorePairScore___repr__(self)
3824 return _object_cast_to_SlabWithToroidalPorePairScore(o)
3828 _IMP_npctransport.SlabWithToroidalPorePairScore_swigregister(SlabWithToroidalPorePairScore)
3830 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreWireGeometry class."""
3832 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3834 def __init__(self, height, radius, length):
3835 r"""__init__(SlabWithCylindricalPoreWireGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreWireGeometry"""
3836 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreWireGeometry(height, radius, length))
3838 def get_version_info(self):
3839 r"""get_version_info(SlabWithCylindricalPoreWireGeometry self) -> VersionInfo"""
3840 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_get_version_info(self)
3841 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreWireGeometry
3844 r"""__str__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3845 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___str__(self)
3848 r"""__repr__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3849 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___repr__(self)
3853 return _object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
3857 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swigregister(SlabWithCylindricalPoreWireGeometry)
3859 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry class."""
3861 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3863 def __init__(self, height, radius, length):
3864 r"""__init__(SlabWithCylindricalPoreSurfaceGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreSurfaceGeometry"""
3865 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreSurfaceGeometry(height, radius, length))
3868 r"""__str__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3869 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___str__(self)
3872 r"""__repr__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3873 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___repr__(self)
3877 return _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
3879 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreSurfaceGeometry
3882 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swigregister(SlabWithCylindricalPoreSurfaceGeometry)
3884 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPoreWireGeometry class."""
3886 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3888 def __init__(self, *args):
3890 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double horizontal_semiaxis, double slab_length) -> SlabWithToroidalPoreWireGeometry
3891 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double slab_length) -> SlabWithToroidalPoreWireGeometry
3893 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPoreWireGeometry(*args))
3895 def get_version_info(self):
3896 r"""get_version_info(SlabWithToroidalPoreWireGeometry self) -> VersionInfo"""
3897 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry_get_version_info(self)
3898 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPoreWireGeometry
3901 r"""__str__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3902 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___str__(self)
3905 r"""__repr__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3906 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___repr__(self)
3910 return _object_cast_to_SlabWithToroidalPoreWireGeometry(o)
3914 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swigregister(SlabWithToroidalPoreWireGeometry)
3916 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< IMP::core::Harmonic > class."""
3918 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3919 __repr__ = _swig_repr
3921 def __init__(self, f, k):
3922 r"""__init__(_GenericAttributeSingletonScoreForPoreRadus self, Harmonic f, FloatKey k) -> _GenericAttributeSingletonScoreForPoreRadus"""
3923 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swiginit(self, _IMP_npctransport.new__GenericAttributeSingletonScoreForPoreRadus(f, k))
3925 def do_get_inputs(self, m, pis):
3926 r"""do_get_inputs(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3927 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_do_get_inputs(self, m, pis)
3929 def get_unary_function(self):
3930 r"""get_unary_function(_GenericAttributeSingletonScoreForPoreRadus self) -> Harmonic"""
3931 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_unary_function(self)
3934 r"""get_key(_GenericAttributeSingletonScoreForPoreRadus self) -> FloatKey"""
3935 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_key(self)
3937 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3938 r"""evaluate_indexes(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3939 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3941 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3942 r"""evaluate_indexes_scores(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
3943 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3945 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3946 r"""evaluate_indexes_delta(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
3947 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3949 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3950 r"""evaluate_if_good_indexes(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3951 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3953 def get_version_info(self):
3954 r"""get_version_info(_GenericAttributeSingletonScoreForPoreRadus self) -> VersionInfo"""
3955 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_version_info(self)
3956 __swig_destroy__ = _IMP_npctransport.delete__GenericAttributeSingletonScoreForPoreRadus
3959 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swigregister(_GenericAttributeSingletonScoreForPoreRadus)
3960 class PoreRadiusSingletonScore(_GenericAttributeSingletonScoreForPoreRadus):
3961 r"""Proxy of C++ IMP::npctransport::PoreRadiusSingletonScore class."""
3963 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3965 def __init__(self, mean, k):
3966 r"""__init__(PoreRadiusSingletonScore self, IMP::Float mean, IMP::Float k) -> PoreRadiusSingletonScore"""
3967 _IMP_npctransport.PoreRadiusSingletonScore_swiginit(self, _IMP_npctransport.new_PoreRadiusSingletonScore(mean, k))
3970 r"""set_k(PoreRadiusSingletonScore self, double k)"""
3971 return _IMP_npctransport.PoreRadiusSingletonScore_set_k(self, k)
3973 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3974 r"""evaluate_indexes(PoreRadiusSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3975 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3977 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3978 r"""evaluate_indexes_scores(PoreRadiusSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
3979 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3981 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3982 r"""evaluate_indexes_delta(PoreRadiusSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
3983 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3985 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3986 r"""evaluate_if_good_indexes(PoreRadiusSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3987 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3988 __swig_destroy__ = _IMP_npctransport.delete_PoreRadiusSingletonScore
3991 r"""__str__(PoreRadiusSingletonScore self) -> std::string"""
3992 return _IMP_npctransport.PoreRadiusSingletonScore___str__(self)
3995 r"""__repr__(PoreRadiusSingletonScore self) -> std::string"""
3996 return _IMP_npctransport.PoreRadiusSingletonScore___repr__(self)
4000 return _object_cast_to_PoreRadiusSingletonScore(o)
4004 _IMP_npctransport.PoreRadiusSingletonScore_swigregister(PoreRadiusSingletonScore)
4006 r"""Proxy of C++ IMP::npctransport::ExcludeZRangeSingletonScore class."""
4008 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4010 def __init__(self, bottom, top, k):
4011 r"""__init__(ExcludeZRangeSingletonScore self, double bottom, double top, double k) -> ExcludeZRangeSingletonScore"""
4012 _IMP_npctransport.ExcludeZRangeSingletonScore_swiginit(self, _IMP_npctransport.new_ExcludeZRangeSingletonScore(bottom, top, k))
4014 def get_bottom_z(self):
4015 r"""get_bottom_z(ExcludeZRangeSingletonScore self) -> double"""
4016 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_bottom_z(self)
4018 def get_top_z(self):
4019 r"""get_top_z(ExcludeZRangeSingletonScore self) -> double"""
4020 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_top_z(self)
4023 r"""get_k(ExcludeZRangeSingletonScore self) -> double"""
4024 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_k(self)
4026 def do_get_inputs(self, m, pis):
4027 r"""do_get_inputs(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4028 return _IMP_npctransport.ExcludeZRangeSingletonScore_do_get_inputs(self, m, pis)
4030 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4031 r"""evaluate_indexes(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4032 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4034 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4035 r"""evaluate_indexes_scores(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
4036 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4038 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4039 r"""evaluate_indexes_delta(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
4040 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4042 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4043 r"""evaluate_if_good_indexes(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4044 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4046 def get_version_info(self):
4047 r"""get_version_info(ExcludeZRangeSingletonScore self) -> VersionInfo"""
4048 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_version_info(self)
4049 __swig_destroy__ = _IMP_npctransport.delete_ExcludeZRangeSingletonScore
4052 r"""__str__(ExcludeZRangeSingletonScore self) -> std::string"""
4053 return _IMP_npctransport.ExcludeZRangeSingletonScore___str__(self)
4056 r"""__repr__(ExcludeZRangeSingletonScore self) -> std::string"""
4057 return _IMP_npctransport.ExcludeZRangeSingletonScore___repr__(self)
4061 return _object_cast_to_ExcludeZRangeSingletonScore(o)
4065 _IMP_npctransport.ExcludeZRangeSingletonScore_swigregister(ExcludeZRangeSingletonScore)
4067 r"""Proxy of C++ IMP::npctransport::ZBiasSingletonScore class."""
4069 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4071 def __init__(self, *args):
4072 r"""__init__(ZBiasSingletonScore self, double k, double max_r=HALF_SQRT_MAX_DOUBLE, double z=std::numeric_limits< double >::min()) -> ZBiasSingletonScore"""
4073 _IMP_npctransport.ZBiasSingletonScore_swiginit(self, _IMP_npctransport.new_ZBiasSingletonScore(*args))
4076 r"""get_k(ZBiasSingletonScore self) -> double"""
4077 return _IMP_npctransport.ZBiasSingletonScore_get_k(self)
4079 def evaluate_deriv(self, d):
4080 r"""evaluate_deriv(ZBiasSingletonScore self, XYZR d) -> std::pair< double,IMP::algebra::Vector3D >"""
4081 return _IMP_npctransport.ZBiasSingletonScore_evaluate_deriv(self, d)
4083 def do_get_inputs(self, m, pis):
4084 r"""do_get_inputs(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4085 return _IMP_npctransport.ZBiasSingletonScore_do_get_inputs(self, m, pis)
4087 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4088 r"""evaluate_indexes(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4089 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4091 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4092 r"""evaluate_indexes_scores(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
4093 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4095 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4096 r"""evaluate_indexes_delta(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
4097 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4099 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4100 r"""evaluate_if_good_indexes(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4101 return _IMP_npctransport.ZBiasSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4103 def get_version_info(self):
4104 r"""get_version_info(ZBiasSingletonScore self) -> VersionInfo"""
4105 return _IMP_npctransport.ZBiasSingletonScore_get_version_info(self)
4106 __swig_destroy__ = _IMP_npctransport.delete_ZBiasSingletonScore
4109 r"""__str__(ZBiasSingletonScore self) -> std::string"""
4110 return _IMP_npctransport.ZBiasSingletonScore___str__(self)
4113 r"""__repr__(ZBiasSingletonScore self) -> std::string"""
4114 return _IMP_npctransport.ZBiasSingletonScore___repr__(self)
4118 return _object_cast_to_ZBiasSingletonScore(o)
4122 _IMP_npctransport.ZBiasSingletonScore_swigregister(ZBiasSingletonScore)
4124 r"""Proxy of C++ IMP::npctransport::BodyStatisticsOptimizerState class."""
4126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4128 def __init__(self, p, statistics_manager=None, periodicity=1):
4129 r"""__init__(BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None, unsigned int periodicity=1) -> BodyStatisticsOptimizerState"""
4130 _IMP_npctransport.BodyStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BodyStatisticsOptimizerState(p, statistics_manager, periodicity))
4132 def get_correlation_time(self):
4133 r"""get_correlation_time(BodyStatisticsOptimizerState self) -> double"""
4134 return _IMP_npctransport.BodyStatisticsOptimizerState_get_correlation_time(self)
4137 r"""get_diffusion_coefficient(BodyStatisticsOptimizerState self) -> double"""
4138 return _IMP_npctransport.BodyStatisticsOptimizerState_get_diffusion_coefficient(self)
4140 def update_particle_type_zr_distribution_map(self):
4141 r"""update_particle_type_zr_distribution_map(BodyStatisticsOptimizerState self)"""
4142 return _IMP_npctransport.BodyStatisticsOptimizerState_update_particle_type_zr_distribution_map(self)
4144 def do_update(self, call_num):
4145 r"""do_update(BodyStatisticsOptimizerState self, unsigned int call_num)"""
4146 return _IMP_npctransport.BodyStatisticsOptimizerState_do_update(self, call_num)
4148 def get_version_info(self):
4149 r"""get_version_info(BodyStatisticsOptimizerState self) -> VersionInfo"""
4150 return _IMP_npctransport.BodyStatisticsOptimizerState_get_version_info(self)
4151 __swig_destroy__ = _IMP_npctransport.delete_BodyStatisticsOptimizerState
4154 r"""__str__(BodyStatisticsOptimizerState self) -> std::string"""
4155 return _IMP_npctransport.BodyStatisticsOptimizerState___str__(self)
4158 r"""__repr__(BodyStatisticsOptimizerState self) -> std::string"""
4159 return _IMP_npctransport.BodyStatisticsOptimizerState___repr__(self)
4163 return _object_cast_to_BodyStatisticsOptimizerState(o)
4167 _IMP_npctransport.BodyStatisticsOptimizerState_swigregister(BodyStatisticsOptimizerState)
4169 r"""Proxy of C++ IMP::npctransport::ParticleTransportStatisticsOptimizerState class."""
4171 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4173 def __init__(self, p, bottom_z, top_z, statistics_manager=None, owner=None):
4174 r"""__init__(ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z, WeakPointer< IMP::npctransport::Statistics > statistics_manager=None, WeakPointer< IMP::atom::Simulator > owner=None) -> ParticleTransportStatisticsOptimizerState"""
4175 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ParticleTransportStatisticsOptimizerState(p, bottom_z, top_z, statistics_manager, owner))
4177 def set_owner(self, owner):
4178 r"""set_owner(ParticleTransportStatisticsOptimizerState self, WeakPointer< IMP::atom::Simulator > owner)"""
4179 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_set_owner(self, owner)
4181 def get_owner(self):
4182 r"""get_owner(ParticleTransportStatisticsOptimizerState self) -> Simulator"""
4183 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_owner(self)
4185 def get_n_transports_up(self):
4186 r"""get_n_transports_up(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4187 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_up(self)
4189 def get_n_transports_down(self):
4190 r"""get_n_transports_down(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4191 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_down(self)
4193 def get_total_n_transports(self):
4194 r"""get_total_n_transports(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4195 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_total_n_transports(self)
4197 def get_transport_time_points_in_ns(self):
4198 r"""get_transport_time_points_in_ns(ParticleTransportStatisticsOptimizerState self) -> IMP::Floats const &"""
4199 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_transport_time_points_in_ns(self)
4201 def do_update(self, call_num):
4202 r"""do_update(ParticleTransportStatisticsOptimizerState self, unsigned int call_num)"""
4203 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_do_update(self, call_num)
4205 def get_version_info(self):
4206 r"""get_version_info(ParticleTransportStatisticsOptimizerState self) -> VersionInfo"""
4207 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_version_info(self)
4208 __swig_destroy__ = _IMP_npctransport.delete_ParticleTransportStatisticsOptimizerState
4211 r"""__str__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4212 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___str__(self)
4215 r"""__repr__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4216 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___repr__(self)
4220 return _object_cast_to_ParticleTransportStatisticsOptimizerState(o)
4224 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swigregister(ParticleTransportStatisticsOptimizerState)
4226 r"""Proxy of C++ IMP::npctransport::ChainStatisticsOptimizerState class."""
4228 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4230 def __init__(self, ps, periodicity=1):
4231 r"""__init__(ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps, unsigned int periodicity=1) -> ChainStatisticsOptimizerState"""
4232 _IMP_npctransport.ChainStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ChainStatisticsOptimizerState(ps, periodicity))
4234 def get_correlation_time(self):
4235 r"""get_correlation_time(ChainStatisticsOptimizerState self) -> double"""
4236 return _IMP_npctransport.ChainStatisticsOptimizerState_get_correlation_time(self)
4238 def get_local_diffusion_coefficients(self):
4239 r"""get_local_diffusion_coefficients(ChainStatisticsOptimizerState self) -> IMP::Floats"""
4240 return _IMP_npctransport.ChainStatisticsOptimizerState_get_local_diffusion_coefficients(self)
4243 r"""get_diffusion_coefficient(ChainStatisticsOptimizerState self) -> double"""
4244 return _IMP_npctransport.ChainStatisticsOptimizerState_get_diffusion_coefficient(self)
4246 def get_mean_radius_of_gyration(self):
4247 r"""get_mean_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4248 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_radius_of_gyration(self)
4250 def get_mean_square_radius_of_gyration(self):
4251 r"""get_mean_square_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4252 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_radius_of_gyration(self)
4254 def get_mean_end_to_end_distance(self):
4255 r"""get_mean_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4256 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_end_to_end_distance(self)
4258 def get_mean_square_end_to_end_distance(self):
4259 r"""get_mean_square_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4260 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_end_to_end_distance(self)
4262 def get_mean_bond_distance(self):
4263 r"""get_mean_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4264 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_bond_distance(self)
4266 def get_mean_square_bond_distance(self):
4267 r"""get_mean_square_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4268 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_bond_distance(self)
4270 def do_update(self, call_num):
4271 r"""do_update(ChainStatisticsOptimizerState self, unsigned int call_num)"""
4272 return _IMP_npctransport.ChainStatisticsOptimizerState_do_update(self, call_num)
4274 def get_version_info(self):
4275 r"""get_version_info(ChainStatisticsOptimizerState self) -> VersionInfo"""
4276 return _IMP_npctransport.ChainStatisticsOptimizerState_get_version_info(self)
4277 __swig_destroy__ = _IMP_npctransport.delete_ChainStatisticsOptimizerState
4280 r"""__str__(ChainStatisticsOptimizerState self) -> std::string"""
4281 return _IMP_npctransport.ChainStatisticsOptimizerState___str__(self)
4284 r"""__repr__(ChainStatisticsOptimizerState self) -> std::string"""
4285 return _IMP_npctransport.ChainStatisticsOptimizerState___repr__(self)
4289 return _object_cast_to_ChainStatisticsOptimizerState(o)
4293 _IMP_npctransport.ChainStatisticsOptimizerState_swigregister(ChainStatisticsOptimizerState)
4295 r"""Proxy of C++ IMP::npctransport::BipartitePairsStatisticsOptimizerState class."""
4297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4299 def __init__(self, statistics_manager, interaction_type, particlesI, particlesII, contact_range=1.0, slack=1.0):
4300 r"""__init__(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"""
4301 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BipartitePairsStatisticsOptimizerState(statistics_manager, interaction_type, particlesI, particlesII, contact_range, slack))
4303 def get_interaction_type(self):
4304 r"""get_interaction_type(BipartitePairsStatisticsOptimizerState self) -> IMP::npctransport::InteractionType"""
4305 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_interaction_type(self)
4307 def get_average_number_of_contacts(self):
4308 r"""get_average_number_of_contacts(BipartitePairsStatisticsOptimizerState self) -> double"""
4309 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_number_of_contacts(self)
4311 def get_average_off_per_contact_per_ns(self):
4312 r"""get_average_off_per_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4313 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_contact_per_ns(self)
4315 def get_average_off_per_bound_I_per_ns(self):
4316 r"""get_average_off_per_bound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4317 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_I_per_ns(self)
4319 def get_average_off_per_bound_II_per_ns(self):
4320 r"""get_average_off_per_bound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4321 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_II_per_ns(self)
4323 def get_average_on_per_missing_contact_per_ns(self):
4324 r"""get_average_on_per_missing_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4325 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_missing_contact_per_ns(self)
4327 def get_average_on_per_unbound_I_per_ns(self):
4328 r"""get_average_on_per_unbound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4329 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_I_per_ns(self)
4331 def get_average_on_per_unbound_II_per_ns(self):
4332 r"""get_average_on_per_unbound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4333 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_II_per_ns(self)
4335 def get_average_fraction_bound_particles_I(self):
4336 r"""get_average_fraction_bound_particles_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4337 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_I(self)
4339 def get_average_fraction_bound_particles_II(self):
4340 r"""get_average_fraction_bound_particles_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4341 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_II(self)
4343 def get_average_fraction_bound_particle_sites_I(self):
4344 r"""get_average_fraction_bound_particle_sites_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4345 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_I(self)
4347 def get_average_fraction_bound_particle_sites_II(self):
4348 r"""get_average_fraction_bound_particle_sites_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4349 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_II(self)
4351 def get_average_fraction_nonspecific_interactions_I(self):
4352 r"""get_average_fraction_nonspecific_interactions_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4353 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_I(self)
4355 def get_average_fraction_nonspecific_interactions_II(self):
4356 r"""get_average_fraction_nonspecific_interactions_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4357 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_II(self)
4359 def get_number_of_particles_1(self):
4360 r"""get_number_of_particles_1(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4361 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_1(self)
4363 def get_number_of_particles_2(self):
4364 r"""get_number_of_particles_2(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4365 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_2(self)
4367 def get_misc_stats_period_ns(self):
4368 r"""get_misc_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4369 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_misc_stats_period_ns(self)
4371 def get_off_stats_period_ns(self):
4372 r"""get_off_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4373 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_stats_period_ns(self)
4375 def get_off_I_stats_period_ns(self):
4376 r"""get_off_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4377 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_I_stats_period_ns(self)
4379 def get_off_II_stats_period_ns(self):
4380 r"""get_off_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4381 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_II_stats_period_ns(self)
4383 def get_on_stats_period_ns(self):
4384 r"""get_on_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4385 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_stats_period_ns(self)
4387 def get_on_I_stats_period_ns(self):
4388 r"""get_on_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4389 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_I_stats_period_ns(self)
4391 def get_on_II_stats_period_ns(self):
4392 r"""get_on_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4393 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_II_stats_period_ns(self)
4395 def get_version_info(self):
4396 r"""get_version_info(BipartitePairsStatisticsOptimizerState self) -> VersionInfo"""
4397 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_version_info(self)
4398 __swig_destroy__ = _IMP_npctransport.delete_BipartitePairsStatisticsOptimizerState
4401 r"""__str__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4402 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___str__(self)
4405 r"""__repr__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4406 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___repr__(self)
4410 return _object_cast_to_BipartitePairsStatisticsOptimizerState(o)
4414 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swigregister(BipartitePairsStatisticsOptimizerState)
4416 def get_close_pairs_range(*args):
4418 get_close_pairs_range(double max_range, double max_range_factor) -> double
4419 get_close_pairs_range(::npctransport_proto::Assignment const & config) -> double
4421 return _IMP_npctransport.get_close_pairs_range(*args)
4425 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
4426 get_time_step(::npctransport_proto::Assignment const & config, double max_trans_relative_to_radius=0.1) -> double
4428 return _IMP_npctransport.get_time_step(*args)
4431 r"""get_frames_from_ns(double ns, double time_step) -> int"""
4432 return _IMP_npctransport.get_frames_from_ns(ns, time_step)
4435 r"""get_number_of_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4436 return _IMP_npctransport.get_number_of_frames(config, time_step)
4439 r"""get_dump_interval_in_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4440 return _IMP_npctransport.get_dump_interval_in_frames(config, time_step)
4443 r"""get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=0.1) -> int"""
4444 return _IMP_npctransport.get_statistics_interval_in_frames(assign, time_step, default_value_ns)
4447 r"""get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=1.0) -> int"""
4448 return _IMP_npctransport.get_output_statistics_interval_in_frames(assign, time_step, default_value_ns)
4451 r"""initialize_positions(SimulationData sd, IMP::RestraintsTemp const & extra_restraints=IMP::RestraintsTemp(), bool debug=False, double short_init_factor=1.0, bool is_disable_randomize=False, bool are_fgs_pre_initialized=False)"""
4452 return _IMP_npctransport.initialize_positions(*args)
4455 r"""get_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4456 return _IMP_npctransport.get_optimizable_particles(particles)
4459 r"""get_non_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4460 return _IMP_npctransport.get_non_optimizable_particles(particles)
4463 r"""get_particle_indexes(IMP::ParticlesTemp const & particles) -> IMP::ParticleIndexes"""
4464 return _IMP_npctransport.get_particle_indexes(particles)
4467 r"""get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)"""
4468 return _IMP_npctransport.get_protobuf_configuration_from_text(config_txt, config_pb)
4471 r"""get_spheres_from_vectors(IMP::algebra::Vector3Ds const & vs, double radius) -> IMP::algebra::Sphere3Ds"""
4472 return _IMP_npctransport.get_spheres_from_vectors(vs, radius)
4474 def get_spheres_centers(spheres):
4475 r"""get_spheres_centers(IMP::algebra::Sphere3Ds const & spheres) -> IMP::algebra::Vector3Ds"""
4476 return _IMP_npctransport.get_spheres_centers(spheres)
4479 r"""copy_particle_reference_frame_if_applicable(Particle src_p, Particle trg_p)"""
4480 return _IMP_npctransport.copy_particle_reference_frame_if_applicable(src_p, trg_p)
4483 r"""copy_hierarchy_reference_frame_recursive(Particle src_p, Particle trg_p)"""
4484 return _IMP_npctransport.copy_hierarchy_reference_frame_recursive(src_p, trg_p)
4487 r"""copy_FGs_coordinates(SimulationData src_sd, SimulationData trg_sd)"""
4488 return _IMP_npctransport.copy_FGs_coordinates(src_sd, trg_sd)
4489 class Avro2PBReader(object):
4490 r"""Proxy of C++ IMP::npctransport::Avro2PBReader class."""
4492 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4494 def __init__(self, *args):
4496 __init__(Avro2PBReader self, IMP::Strings const & avro_filenames) -> Avro2PBReader
4497 __init__(Avro2PBReader self, std::string avro_filename) -> Avro2PBReader
4499 _IMP_npctransport.Avro2PBReader_swiginit(self, _IMP_npctransport.new_Avro2PBReader(*args))
4500 __swig_destroy__ = _IMP_npctransport.delete_Avro2PBReader
4502 def read_next(self):
4503 r"""read_next(Avro2PBReader self) -> IMP::npctransport::Avro2PBReader::ByteBuffer"""
4504 return _IMP_npctransport.Avro2PBReader_read_next(self)
4506 def get_is_valid(self):
4507 r"""get_is_valid(Avro2PBReader self) -> bool"""
4508 return _IMP_npctransport.Avro2PBReader_get_is_valid(self)
4510 def get_cur_file_name(self):
4511 r"""get_cur_file_name(Avro2PBReader self) -> std::string"""
4512 return _IMP_npctransport.Avro2PBReader_get_cur_file_name(self)
4514 def show(self, *args):
4515 r"""show(Avro2PBReader self, _ostream out=std::cout)"""
4516 return _IMP_npctransport.Avro2PBReader_show(self, *args)
4519 r"""__str__(Avro2PBReader self) -> std::string"""
4520 return _IMP_npctransport.Avro2PBReader___str__(self)
4523 r"""__repr__(Avro2PBReader self) -> std::string"""
4524 return _IMP_npctransport.Avro2PBReader___repr__(self)
4527 _IMP_npctransport.Avro2PBReader_swigregister(Avro2PBReader)
4530 r"""startup(int argc) -> SimulationData"""
4531 return _IMP_npctransport.startup(argc)
4534 r"""remove_Nup42(SimulationData sd)"""
4535 return _IMP_npctransport.remove_Nup42(sd)
4538 r"""inflate_floater(SimulationData sd, std::string const floater_name, float const new_radius)"""
4539 return _IMP_npctransport.inflate_floater(sd, floater_name, new_radius)
4542 r"""reset_box_size(SimulationData sd, double box_size)"""
4543 return _IMP_npctransport.reset_box_size(sd, box_size)
4546 r"""do_main_loop(SimulationData sd, IMP::RestraintsTemp const & init_restraints)"""
4547 return _IMP_npctransport.do_main_loop(sd, init_restraints)
4550 from .npctransport_pb2
import *
4551 import google.protobuf
4553 print(
"no protobuf support in python")
4554 from ._configuration
import *
4560 r"""get_module_name() -> std::string const"""
4561 return _IMP_npctransport.get_module_name()
4564 r"""get_module_version() -> std::string const"""
4565 return _IMP_npctransport.get_module_version()
4568 r"""get_example_path(std::string fname) -> std::string"""
4569 return _IMP_npctransport.get_example_path(fname)
4572 r"""get_data_path(std::string fname) -> std::string"""
4573 return _IMP_npctransport.get_data_path(fname)
4575 from .
import _version_check
def get_example_path
Return the full path to one of this module's example files.
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)
void remove_Nup42(SimulationData *sd)
remove nup42 and its anchors (also from obstacles)
def get_module_version
Return the version of this module, as a string.
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)
IMP::npctransport::SimulationData * startup(int argc, char *argv[])
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
void do_main_loop(SimulationData *sd, const RestraintsTemp &init_restraints)
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.
def get_data_path
Return the full path to one of this module's data files.
Code to compute statistical measures.
def get_module_name
Return the fully-qualified name of this module.
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)
Basic utilities for handling cryo-electron microscopy 3D density maps.
void inflate_floater(SimulationData *sd, const std::string floater_name, const float new_radius)
inflate floater of specified type to new_radius
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)
void reset_box_size(SimulationData *sd, double box_size)
change box size sd to specified box size and update output file
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.
Support for small angle X-ray scattering (SAXS) data.
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)
Inferential scoring building on methods developed as part of the Inferential Structure Determination ...
algebra::Sphere3Ds get_spheres_from_vectors(V3iter first, V3iter last, double radius)
convert vectors to spheres of passed radius