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_ABSEILLOG = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_ABSEILLOG
518 IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM
520 IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS
522 IMP_NPCTRANSPORT_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_RANDOM
524 IMP_NPCTRANSPORT_HAS_BOOST_REGEX = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_REGEX
526 IMP_NPCTRANSPORT_HAS_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_CGAL
528 IMP_NPCTRANSPORT_HAS_HDF5 = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_HDF5
530 IMP_NPCTRANSPORT_HAS_NUMPY = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_NUMPY
532 IMP_NPCTRANSPORT_HAS_PYTHON_IHM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_PYTHON_IHM
534 IMPNPCTRANSPORT_SHOW_WARNINGS = _IMP_npctransport.IMPNPCTRANSPORT_SHOW_WARNINGS
537 _object_types.append(
"SitesPairScore")
540 def _object_cast_to_SitesPairScore(o):
541 r"""_object_cast_to_SitesPairScore(Object o) -> SitesPairScore"""
542 return _IMP_npctransport._object_cast_to_SitesPairScore(o)
544 _object_types.append(
"Scoring")
547 def _object_cast_to_Scoring(o):
548 r"""_object_cast_to_Scoring(Object o) -> Scoring"""
549 return _IMP_npctransport._object_cast_to_Scoring(o)
551 _object_types.append(
"BrownianDynamicsTAMDWithSlabSupport")
554 def _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o):
555 r"""_object_cast_to_BrownianDynamicsTAMDWithSlabSupport(Object o) -> BrownianDynamicsTAMDWithSlabSupport"""
556 return _IMP_npctransport._object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
558 _object_types.append(
"Statistics")
561 def _object_cast_to_Statistics(o):
562 r"""_object_cast_to_Statistics(Object o) -> Statistics"""
563 return _IMP_npctransport._object_cast_to_Statistics(o)
565 _object_types.append(
"SimulationData")
568 def _object_cast_to_SimulationData(o):
569 r"""_object_cast_to_SimulationData(Object o) -> SimulationData"""
570 return _IMP_npctransport._object_cast_to_SimulationData(o)
572 _object_types.append(
"SitesGeometry")
575 def _object_cast_to_SitesGeometry(o):
576 r"""_object_cast_to_SitesGeometry(Object o) -> SitesGeometry"""
577 return _IMP_npctransport._object_cast_to_SitesGeometry(o)
579 _object_types.append(
"TypedSitesGeometry")
582 def _object_cast_to_TypedSitesGeometry(o):
583 r"""_object_cast_to_TypedSitesGeometry(Object o) -> TypedSitesGeometry"""
584 return _IMP_npctransport._object_cast_to_TypedSitesGeometry(o)
586 _object_types.append(
"SlabWithCylindricalPorePairScore")
589 def _object_cast_to_SlabWithCylindricalPorePairScore(o):
590 r"""_object_cast_to_SlabWithCylindricalPorePairScore(Object o) -> SlabWithCylindricalPorePairScore"""
591 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPorePairScore(o)
593 _object_types.append(
"SlabWithToroidalPorePairScore")
596 def _object_cast_to_SlabWithToroidalPorePairScore(o):
597 r"""_object_cast_to_SlabWithToroidalPorePairScore(Object o) -> SlabWithToroidalPorePairScore"""
598 return _IMP_npctransport._object_cast_to_SlabWithToroidalPorePairScore(o)
600 _object_types.append(
"PoreRadiusSingletonScore")
603 def _object_cast_to_PoreRadiusSingletonScore(o):
604 r"""_object_cast_to_PoreRadiusSingletonScore(Object o) -> PoreRadiusSingletonScore"""
605 return _IMP_npctransport._object_cast_to_PoreRadiusSingletonScore(o)
607 _object_types.append(
"ExcludeZRangeSingletonScore")
610 def _object_cast_to_ExcludeZRangeSingletonScore(o):
611 r"""_object_cast_to_ExcludeZRangeSingletonScore(Object o) -> ExcludeZRangeSingletonScore"""
612 return _IMP_npctransport._object_cast_to_ExcludeZRangeSingletonScore(o)
614 _object_types.append(
"ZBiasSingletonScore")
617 def _object_cast_to_ZBiasSingletonScore(o):
618 r"""_object_cast_to_ZBiasSingletonScore(Object o) -> ZBiasSingletonScore"""
619 return _IMP_npctransport._object_cast_to_ZBiasSingletonScore(o)
621 _object_types.append(
"SlabWithCylindricalPoreWireGeometry")
624 def _object_cast_to_SlabWithCylindricalPoreWireGeometry(o):
625 r"""_object_cast_to_SlabWithCylindricalPoreWireGeometry(Object o) -> SlabWithCylindricalPoreWireGeometry"""
626 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
628 _object_types.append(
"SlabWithCylindricalPoreSurfaceGeometry")
631 def _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o):
632 r"""_object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(Object o) -> SlabWithCylindricalPoreSurfaceGeometry"""
633 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
635 _object_types.append(
"SlabWithToroidalPoreWireGeometry")
638 def _object_cast_to_SlabWithToroidalPoreWireGeometry(o):
639 r"""_object_cast_to_SlabWithToroidalPoreWireGeometry(Object o) -> SlabWithToroidalPoreWireGeometry"""
640 return _IMP_npctransport._object_cast_to_SlabWithToroidalPoreWireGeometry(o)
642 _object_types.append(
"LinearSoftSpherePairScore")
645 def _object_cast_to_LinearSoftSpherePairScore(o):
646 r"""_object_cast_to_LinearSoftSpherePairScore(Object o) -> LinearSoftSpherePairScore"""
647 return _IMP_npctransport._object_cast_to_LinearSoftSpherePairScore(o)
649 _object_types.append(
"FunctorLinearSoftSpherePairScore")
652 def _object_cast_to_FunctorLinearSoftSpherePairScore(o):
653 r"""_object_cast_to_FunctorLinearSoftSpherePairScore(Object o) -> FunctorLinearSoftSpherePairScore"""
654 return _IMP_npctransport._object_cast_to_FunctorLinearSoftSpherePairScore(o)
656 _object_types.append(
"LinearInteractionPairScore")
659 def _object_cast_to_LinearInteractionPairScore(o):
660 r"""_object_cast_to_LinearInteractionPairScore(Object o) -> LinearInteractionPairScore"""
661 return _IMP_npctransport._object_cast_to_LinearInteractionPairScore(o)
663 _object_types.append(
"FunctorLinearInteractionPairScore")
666 def _object_cast_to_FunctorLinearInteractionPairScore(o):
667 r"""_object_cast_to_FunctorLinearInteractionPairScore(Object o) -> FunctorLinearInteractionPairScore"""
668 return _IMP_npctransport._object_cast_to_FunctorLinearInteractionPairScore(o)
670 _object_types.append(
"LinearWellPairScore")
673 def _object_cast_to_LinearWellPairScore(o):
674 r"""_object_cast_to_LinearWellPairScore(Object o) -> LinearWellPairScore"""
675 return _IMP_npctransport._object_cast_to_LinearWellPairScore(o)
677 _object_types.append(
"HarmonicSpringSingletonScore")
680 def _object_cast_to_HarmonicSpringSingletonScore(o):
681 r"""_object_cast_to_HarmonicSpringSingletonScore(Object o) -> HarmonicSpringSingletonScore"""
682 return _IMP_npctransport._object_cast_to_HarmonicSpringSingletonScore(o)
684 _object_types.append(
"HierarchyWithSitesSaveLink")
687 def _object_cast_to_HierarchyWithSitesSaveLink(o):
688 r"""_object_cast_to_HierarchyWithSitesSaveLink(Object o) -> HierarchyWithSitesSaveLink"""
689 return _IMP_npctransport._object_cast_to_HierarchyWithSitesSaveLink(o)
691 _object_types.append(
"HierarchyWithSitesLoadLink")
694 def _object_cast_to_HierarchyWithSitesLoadLink(o):
695 r"""_object_cast_to_HierarchyWithSitesLoadLink(Object o) -> HierarchyWithSitesLoadLink"""
696 return _IMP_npctransport._object_cast_to_HierarchyWithSitesLoadLink(o)
698 _object_types.append(
"ChainStatisticsOptimizerState")
701 def _object_cast_to_ChainStatisticsOptimizerState(o):
702 r"""_object_cast_to_ChainStatisticsOptimizerState(Object o) -> ChainStatisticsOptimizerState"""
703 return _IMP_npctransport._object_cast_to_ChainStatisticsOptimizerState(o)
705 _object_types.append(
"BodyStatisticsOptimizerState")
708 def _object_cast_to_BodyStatisticsOptimizerState(o):
709 r"""_object_cast_to_BodyStatisticsOptimizerState(Object o) -> BodyStatisticsOptimizerState"""
710 return _IMP_npctransport._object_cast_to_BodyStatisticsOptimizerState(o)
712 _object_types.append(
"BipartitePairsStatisticsOptimizerState")
715 def _object_cast_to_BipartitePairsStatisticsOptimizerState(o):
716 r"""_object_cast_to_BipartitePairsStatisticsOptimizerState(Object o) -> BipartitePairsStatisticsOptimizerState"""
717 return _IMP_npctransport._object_cast_to_BipartitePairsStatisticsOptimizerState(o)
719 _object_types.append(
"ParticleTransportStatisticsOptimizerState")
722 def _object_cast_to_ParticleTransportStatisticsOptimizerState(o):
723 r"""_object_cast_to_ParticleTransportStatisticsOptimizerState(Object o) -> ParticleTransportStatisticsOptimizerState"""
724 return _IMP_npctransport._object_cast_to_ParticleTransportStatisticsOptimizerState(o)
726 _object_types.append(
"FGChain")
729 def _object_cast_to_FGChain(o):
730 r"""_object_cast_to_FGChain(Object o) -> FGChain"""
731 return _IMP_npctransport._object_cast_to_FGChain(o)
733 _object_types.append(
"ParticleFactory")
736 def _object_cast_to_ParticleFactory(o):
737 r"""_object_cast_to_ParticleFactory(Object o) -> ParticleFactory"""
738 return _IMP_npctransport._object_cast_to_ParticleFactory(o)
741 _plural_types.append(
"Avro2PBReaders")
742 _value_types.append(
"Avro2PBReader")
745 SitesPairScoreParametersList=list
746 _plural_types.append(
"SitesPairScoreParametersList")
747 _value_types.append(
"SitesPairScoreParameters")
750 def Transportings(l=[]):
751 return [Transporting(x)
for x
in l]
752 _plural_types.append(
"Transportings")
755 _value_types.append(
"Transporting")
758 def SlabWithPores(l=[]):
759 return [SlabWithPore(x)
for x
in l]
760 _plural_types.append(
"SlabWithPores")
763 _value_types.append(
"SlabWithPore")
766 def SlabWithCylindricalPores(l=[]):
767 return [SlabWithCylindricalPore(x)
for x
in l]
768 _plural_types.append(
"SlabWithCylindricalPores")
771 _value_types.append(
"SlabWithCylindricalPore")
774 def RelaxingSprings(l=[]):
775 return [RelaxingSpring(x)
for x
in l]
776 _plural_types.append(
"RelaxingSprings")
779 _value_types.append(
"RelaxingSpring")
782 def SlabWithToroidalPores(l=[]):
783 return [SlabWithToroidalPore(x)
for x
in l]
784 _plural_types.append(
"SlabWithToroidalPores")
787 _value_types.append(
"SlabWithToroidalPore")
789 class _DoubleParameter(object):
790 r"""Proxy of C++ IMP::npctransport::Parameter< double > class."""
792 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
793 __repr__ = _swig_repr
795 def __init__(self, *args):
797 __init__(_DoubleParameter self) -> _DoubleParameter
798 __init__(_DoubleParameter self, double t) -> _DoubleParameter
800 _IMP_npctransport._DoubleParameter_swiginit(self, _IMP_npctransport.new__DoubleParameter(*args))
803 r"""get_value(_DoubleParameter self) -> double"""
804 return _IMP_npctransport._DoubleParameter_get_value(self)
807 r"""is_init(_DoubleParameter self) -> bool"""
808 return _IMP_npctransport._DoubleParameter_is_init(self)
809 __swig_destroy__ = _IMP_npctransport.delete__DoubleParameter
812 _IMP_npctransport._DoubleParameter_swigregister(_DoubleParameter)
813 class _IntParameter(object):
814 r"""Proxy of C++ IMP::npctransport::Parameter< int > class."""
816 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
817 __repr__ = _swig_repr
819 def __init__(self, *args):
821 __init__(_IntParameter self) -> _IntParameter
822 __init__(_IntParameter self, int t) -> _IntParameter
824 _IMP_npctransport._IntParameter_swiginit(self, _IMP_npctransport.new__IntParameter(*args))
827 r"""get_value(_IntParameter self) -> int"""
828 return _IMP_npctransport._IntParameter_get_value(self)
831 r"""is_init(_IntParameter self) -> bool"""
832 return _IMP_npctransport._IntParameter_is_init(self)
833 __swig_destroy__ = _IMP_npctransport.delete__IntParameter
836 _IMP_npctransport._IntParameter_swigregister(_IntParameter)
837 class _BoolParameter(object):
838 r"""Proxy of C++ IMP::npctransport::Parameter< bool > class."""
840 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
841 __repr__ = _swig_repr
843 def __init__(self, *args):
845 __init__(_BoolParameter self) -> _BoolParameter
846 __init__(_BoolParameter self, bool t) -> _BoolParameter
848 _IMP_npctransport._BoolParameter_swiginit(self, _IMP_npctransport.new__BoolParameter(*args))
851 r"""get_value(_BoolParameter self) -> bool"""
852 return _IMP_npctransport._BoolParameter_get_value(self)
855 r"""is_init(_BoolParameter self) -> bool"""
856 return _IMP_npctransport._BoolParameter_is_init(self)
857 __swig_destroy__ = _IMP_npctransport.delete__BoolParameter
860 _IMP_npctransport._BoolParameter_swigregister(_BoolParameter)
863 r"""make_ordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
864 return _IMP_npctransport.make_ordered_interaction_type(t0, t1)
867 r"""make_unordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
868 return _IMP_npctransport.make_unordered_interaction_type(t0, t1)
872 make_unordered_particle_index_pair(ParticleIndex pi0, ParticleIndex pi1) -> IMP::ParticleIndexPair
873 make_unordered_particle_index_pair(IMP::ParticleIndexPair pip) -> IMP::ParticleIndexPair
875 return _IMP_npctransport.make_unordered_particle_index_pair(*args)
877 r"""Proxy of C++ IMP::npctransport::LinearSoftSpherePairScore class."""
879 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
881 def __init__(self, *args):
882 r"""__init__(LinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> LinearSoftSpherePairScore"""
883 _IMP_npctransport.LinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_LinearSoftSpherePairScore(*args))
885 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
886 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"""
887 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
889 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
890 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"""
891 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
893 def do_get_inputs(self, m, pis):
894 r"""do_get_inputs(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
895 return _IMP_npctransport.LinearSoftSpherePairScore_do_get_inputs(self, m, pis)
898 r"""get_k(LinearSoftSpherePairScore self) -> double"""
899 return _IMP_npctransport.LinearSoftSpherePairScore_get_k(self)
901 def get_version_info(self):
902 r"""get_version_info(LinearSoftSpherePairScore self) -> VersionInfo"""
903 return _IMP_npctransport.LinearSoftSpherePairScore_get_version_info(self)
904 __swig_destroy__ = _IMP_npctransport.delete_LinearSoftSpherePairScore
907 r"""__str__(LinearSoftSpherePairScore self) -> std::string"""
908 return _IMP_npctransport.LinearSoftSpherePairScore___str__(self)
911 r"""__repr__(LinearSoftSpherePairScore self) -> std::string"""
912 return _IMP_npctransport.LinearSoftSpherePairScore___repr__(self)
916 return _object_cast_to_LinearSoftSpherePairScore(o)
920 _IMP_npctransport.LinearSoftSpherePairScore_swigregister(LinearSoftSpherePairScore)
922 r"""Proxy of C++ IMP::npctransport::LinearInteractionPairScore class."""
924 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
926 def __init__(self, *args):
927 r"""__init__(LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr, std::string name="LinearIDPairScore%1%") -> LinearInteractionPairScore"""
928 _IMP_npctransport.LinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_LinearInteractionPairScore(*args))
930 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
931 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"""
932 return _IMP_npctransport.LinearInteractionPairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
934 def evaluate_if_good_index(self, *args):
936 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPair const & p, DerivativeAccumulator da, double max) -> double
937 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
939 return _IMP_npctransport.LinearInteractionPairScore_evaluate_if_good_index(self, *args)
941 def do_get_inputs(self, m, pis):
942 r"""do_get_inputs(LinearInteractionPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
943 return _IMP_npctransport.LinearInteractionPairScore_do_get_inputs(self, m, pis)
945 def get_range_attraction(self):
946 r"""get_range_attraction(LinearInteractionPairScore self) -> double"""
947 return _IMP_npctransport.LinearInteractionPairScore_get_range_attraction(self)
949 def get_k_attraction(self):
950 r"""get_k_attraction(LinearInteractionPairScore self) -> double"""
951 return _IMP_npctransport.LinearInteractionPairScore_get_k_attraction(self)
953 def set_k_attraction(self, k_attr):
954 r"""set_k_attraction(LinearInteractionPairScore self, double k_attr)"""
955 return _IMP_npctransport.LinearInteractionPairScore_set_k_attraction(self, k_attr)
957 def get_k_repulsion(self):
958 r"""get_k_repulsion(LinearInteractionPairScore self) -> double"""
959 return _IMP_npctransport.LinearInteractionPairScore_get_k_repulsion(self)
961 def set_k_repulsion(self, k_rep):
962 r"""set_k_repulsion(LinearInteractionPairScore self, double k_rep)"""
963 return _IMP_npctransport.LinearInteractionPairScore_set_k_repulsion(self, k_rep)
965 def get_version_info(self):
966 r"""get_version_info(LinearInteractionPairScore self) -> VersionInfo"""
967 return _IMP_npctransport.LinearInteractionPairScore_get_version_info(self)
968 __swig_destroy__ = _IMP_npctransport.delete_LinearInteractionPairScore
971 r"""__str__(LinearInteractionPairScore self) -> std::string"""
972 return _IMP_npctransport.LinearInteractionPairScore___str__(self)
975 r"""__repr__(LinearInteractionPairScore self) -> std::string"""
976 return _IMP_npctransport.LinearInteractionPairScore___repr__(self)
980 return _object_cast_to_LinearInteractionPairScore(o)
984 _IMP_npctransport.LinearInteractionPairScore_swigregister(LinearInteractionPairScore)
986 r"""Proxy of C++ IMP::npctransport::LinearWellPairScore class."""
988 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
990 def __init__(self, *args):
991 r"""__init__(LinearWellPairScore self, double rest_length_factor, double k, std::string name="LinearIDPairScore%1%") -> LinearWellPairScore"""
992 _IMP_npctransport.LinearWellPairScore_swiginit(self, _IMP_npctransport.new_LinearWellPairScore(*args))
994 def set_rest_length_factor(self, rest_length_factor):
995 r"""set_rest_length_factor(LinearWellPairScore self, double rest_length_factor)"""
996 return _IMP_npctransport.LinearWellPairScore_set_rest_length_factor(self, rest_length_factor)
998 def get_rest_length_factor(self):
999 r"""get_rest_length_factor(LinearWellPairScore self) -> double"""
1000 return _IMP_npctransport.LinearWellPairScore_get_rest_length_factor(self)
1003 r"""set_k(LinearWellPairScore self, double k)"""
1004 return _IMP_npctransport.LinearWellPairScore_set_k(self, k)
1007 r"""get_k(LinearWellPairScore self) -> double"""
1008 return _IMP_npctransport.LinearWellPairScore_get_k(self)
1010 def do_get_inputs(self, m, pis):
1011 r"""do_get_inputs(LinearWellPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1012 return _IMP_npctransport.LinearWellPairScore_do_get_inputs(self, m, pis)
1014 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1015 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"""
1016 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1018 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1019 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"""
1020 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1022 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1023 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"""
1024 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1026 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1027 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"""
1028 return _IMP_npctransport.LinearWellPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1030 def get_version_info(self):
1031 r"""get_version_info(LinearWellPairScore self) -> VersionInfo"""
1032 return _IMP_npctransport.LinearWellPairScore_get_version_info(self)
1033 __swig_destroy__ = _IMP_npctransport.delete_LinearWellPairScore
1036 r"""__str__(LinearWellPairScore self) -> std::string"""
1037 return _IMP_npctransport.LinearWellPairScore___str__(self)
1040 r"""__repr__(LinearWellPairScore self) -> std::string"""
1041 return _IMP_npctransport.LinearWellPairScore___repr__(self)
1045 return _object_cast_to_LinearWellPairScore(o)
1049 _IMP_npctransport.LinearWellPairScore_swigregister(LinearWellPairScore)
1051 r"""Proxy of C++ IMP::npctransport::RelaxingSpring class."""
1053 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1055 def __init__(self, *args):
1057 __init__(RelaxingSpring self) -> RelaxingSpring
1058 __init__(RelaxingSpring self, Model m, ParticleIndex id) -> RelaxingSpring
1059 __init__(RelaxingSpring self, _ParticleAdaptor d) -> RelaxingSpring
1061 _IMP_npctransport.RelaxingSpring_swiginit(self, _IMP_npctransport.new_RelaxingSpring(*args))
1063 def show(self, *args):
1064 r"""show(RelaxingSpring self, _ostream out=std::cout)"""
1065 return _IMP_npctransport.RelaxingSpring_show(self, *args)
1068 def setup_particle(*args):
1070 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1071 setup_particle(_ParticleAdaptor pa, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1073 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
1076 def get_is_setup(*args):
1078 get_is_setup(_ParticleAdaptor p) -> bool
1079 get_is_setup(Model m, ParticleIndex pi) -> bool
1081 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1084 def get_bonded_particle_0_key():
1085 r"""get_bonded_particle_0_key() -> ParticleIndexKey"""
1086 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1089 def get_bonded_particle_1_key():
1090 r"""get_bonded_particle_1_key() -> ParticleIndexKey"""
1091 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1094 def get_equilibrium_rest_length_factor_key():
1095 r"""get_equilibrium_rest_length_factor_key() -> FloatKey"""
1096 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1099 def get_rest_length_key():
1100 r"""get_rest_length_key() -> FloatKey"""
1101 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1104 def get_rest_length_diffusion_coefficient_key():
1105 r"""get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1106 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1108 def get_bonded_particle_0(self):
1109 r"""get_bonded_particle_0(RelaxingSpring self) -> Particle"""
1110 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0(self)
1112 def get_bonded_particle_1(self):
1113 r"""get_bonded_particle_1(RelaxingSpring self) -> Particle"""
1114 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1(self)
1116 def get_bonded_particle_index_0(self):
1117 r"""get_bonded_particle_index_0(RelaxingSpring self) -> ParticleIndex"""
1118 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_0(self)
1120 def get_bonded_particle_index_1(self):
1121 r"""get_bonded_particle_index_1(RelaxingSpring self) -> ParticleIndex"""
1122 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_1(self)
1124 def get_equilibrium_rest_length_factor(self):
1125 r"""get_equilibrium_rest_length_factor(RelaxingSpring self) -> IMP::Float"""
1126 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor(self)
1128 def set_equilibrium_rest_length_factor(self, t):
1129 r"""set_equilibrium_rest_length_factor(RelaxingSpring self, IMP::Float t)"""
1130 return _IMP_npctransport.RelaxingSpring_set_equilibrium_rest_length_factor(self, t)
1132 def get_rest_length(self):
1133 r"""get_rest_length(RelaxingSpring self) -> IMP::Float"""
1134 return _IMP_npctransport.RelaxingSpring_get_rest_length(self)
1136 def set_rest_length(self, t):
1137 r"""set_rest_length(RelaxingSpring self, IMP::Float t)"""
1138 return _IMP_npctransport.RelaxingSpring_set_rest_length(self, t)
1140 def get_rest_length_diffusion_coefficient(self):
1141 r"""get_rest_length_diffusion_coefficient(RelaxingSpring self) -> IMP::Float"""
1142 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient(self)
1144 def set_rest_length_diffusion_coefficient(self, t):
1145 r"""set_rest_length_diffusion_coefficient(RelaxingSpring self, IMP::Float t)"""
1146 return _IMP_npctransport.RelaxingSpring_set_rest_length_diffusion_coefficient(self, t)
1148 def add_to_rest_length_derivative(self, d, da):
1149 r"""add_to_rest_length_derivative(RelaxingSpring self, double d, DerivativeAccumulator da)"""
1150 return _IMP_npctransport.RelaxingSpring_add_to_rest_length_derivative(self, d, da)
1152 def get_rest_length_derivative(self):
1153 r"""get_rest_length_derivative(RelaxingSpring self) -> double"""
1154 return _IMP_npctransport.RelaxingSpring_get_rest_length_derivative(self)
1156 def add_attribute(self, *args):
1158 add_attribute(RelaxingSpring self, FloatKey k, IMP::Float v, bool opt)
1159 add_attribute(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1160 add_attribute(RelaxingSpring self, IntKey a0, IMP::Int a1)
1161 add_attribute(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1162 add_attribute(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1163 add_attribute(RelaxingSpring self, StringKey a0, IMP::String a1)
1164 add_attribute(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1165 add_attribute(RelaxingSpring self, ObjectKey a0, Object a1)
1166 add_attribute(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1167 add_attribute(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1168 add_attribute(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1169 add_attribute(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1171 return _IMP_npctransport.RelaxingSpring_add_attribute(self, *args)
1173 def get_value(self, *args):
1175 get_value(RelaxingSpring self, FloatKey a0) -> IMP::Float
1176 get_value(RelaxingSpring self, IntKey a0) -> IMP::Int
1177 get_value(RelaxingSpring self, FloatsKey a0) -> IMP::Floats
1178 get_value(RelaxingSpring self, IntsKey a0) -> IMP::Ints
1179 get_value(RelaxingSpring self, StringKey a0) -> IMP::String
1180 get_value(RelaxingSpring self, ParticleIndexKey a0) -> Particle
1181 get_value(RelaxingSpring self, ObjectKey a0) -> Object
1182 get_value(RelaxingSpring self, SparseFloatKey a0) -> IMP::Float
1183 get_value(RelaxingSpring self, SparseIntKey a0) -> IMP::Int
1184 get_value(RelaxingSpring self, SparseStringKey a0) -> IMP::String
1185 get_value(RelaxingSpring self, SparseParticleIndexKey a0) -> ParticleIndex
1187 return _IMP_npctransport.RelaxingSpring_get_value(self, *args)
1189 def set_value(self, *args):
1191 set_value(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1192 set_value(RelaxingSpring self, IntKey a0, IMP::Int a1)
1193 set_value(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1194 set_value(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1195 set_value(RelaxingSpring self, StringKey a0, IMP::String a1)
1196 set_value(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1197 set_value(RelaxingSpring self, ObjectKey a0, Object a1)
1198 set_value(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1199 set_value(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1200 set_value(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1201 set_value(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1203 return _IMP_npctransport.RelaxingSpring_set_value(self, *args)
1205 def remove_attribute(self, *args):
1207 remove_attribute(RelaxingSpring self, FloatKey a0)
1208 remove_attribute(RelaxingSpring self, IntKey a0)
1209 remove_attribute(RelaxingSpring self, FloatsKey a0)
1210 remove_attribute(RelaxingSpring self, IntsKey a0)
1211 remove_attribute(RelaxingSpring self, StringKey a0)
1212 remove_attribute(RelaxingSpring self, ParticleIndexKey a0)
1213 remove_attribute(RelaxingSpring self, ObjectKey a0)
1214 remove_attribute(RelaxingSpring self, SparseFloatKey a0)
1215 remove_attribute(RelaxingSpring self, SparseIntKey a0)
1216 remove_attribute(RelaxingSpring self, SparseStringKey a0)
1217 remove_attribute(RelaxingSpring self, SparseParticleIndexKey a0)
1219 return _IMP_npctransport.RelaxingSpring_remove_attribute(self, *args)
1221 def has_attribute(self, *args):
1223 has_attribute(RelaxingSpring self, FloatKey a0) -> bool
1224 has_attribute(RelaxingSpring self, IntKey a0) -> bool
1225 has_attribute(RelaxingSpring self, FloatsKey a0) -> bool
1226 has_attribute(RelaxingSpring self, IntsKey a0) -> bool
1227 has_attribute(RelaxingSpring self, StringKey a0) -> bool
1228 has_attribute(RelaxingSpring self, ParticleIndexKey a0) -> bool
1229 has_attribute(RelaxingSpring self, ObjectKey a0) -> bool
1230 has_attribute(RelaxingSpring self, SparseFloatKey a0) -> bool
1231 has_attribute(RelaxingSpring self, SparseIntKey a0) -> bool
1232 has_attribute(RelaxingSpring self, SparseStringKey a0) -> bool
1233 has_attribute(RelaxingSpring self, SparseParticleIndexKey a0) -> bool
1235 return _IMP_npctransport.RelaxingSpring_has_attribute(self, *args)
1237 def get_derivative(self, a0):
1238 r"""get_derivative(RelaxingSpring self, FloatKey a0) -> double"""
1239 return _IMP_npctransport.RelaxingSpring_get_derivative(self, a0)
1242 r"""get_name(RelaxingSpring self) -> std::string"""
1243 return _IMP_npctransport.RelaxingSpring_get_name(self)
1245 def clear_caches(self):
1246 r"""clear_caches(RelaxingSpring self)"""
1247 return _IMP_npctransport.RelaxingSpring_clear_caches(self)
1249 def set_name(self, a0):
1250 r"""set_name(RelaxingSpring self, std::string a0)"""
1251 return _IMP_npctransport.RelaxingSpring_set_name(self, a0)
1254 r"""set_check_level(RelaxingSpring self, IMP::CheckLevel a0)"""
1255 return _IMP_npctransport.RelaxingSpring_set_check_level(self, a0)
1257 def add_to_derivative(self, a0, a1, a2):
1258 r"""add_to_derivative(RelaxingSpring self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1259 return _IMP_npctransport.RelaxingSpring_add_to_derivative(self, a0, a1, a2)
1261 def set_is_optimized(self, a0, a1):
1262 r"""set_is_optimized(RelaxingSpring self, FloatKey a0, bool a1)"""
1263 return _IMP_npctransport.RelaxingSpring_set_is_optimized(self, a0, a1)
1265 def get_is_optimized(self, a0):
1266 r"""get_is_optimized(RelaxingSpring self, FloatKey a0) -> bool"""
1267 return _IMP_npctransport.RelaxingSpring_get_is_optimized(self, a0)
1270 r"""get_check_level(RelaxingSpring self) -> IMP::CheckLevel"""
1271 return _IMP_npctransport.RelaxingSpring_get_check_level(self)
1273 def __eq__(self, *args):
1275 __eq__(RelaxingSpring self, RelaxingSpring o) -> bool
1276 __eq__(RelaxingSpring self, Particle d) -> bool
1278 return _IMP_npctransport.RelaxingSpring___eq__(self, *args)
1280 def __ne__(self, *args):
1282 __ne__(RelaxingSpring self, RelaxingSpring o) -> bool
1283 __ne__(RelaxingSpring self, Particle d) -> bool
1285 return _IMP_npctransport.RelaxingSpring___ne__(self, *args)
1287 def __le__(self, *args):
1289 __le__(RelaxingSpring self, RelaxingSpring o) -> bool
1290 __le__(RelaxingSpring self, Particle d) -> bool
1292 return _IMP_npctransport.RelaxingSpring___le__(self, *args)
1294 def __lt__(self, *args):
1296 __lt__(RelaxingSpring self, RelaxingSpring o) -> bool
1297 __lt__(RelaxingSpring self, Particle d) -> bool
1299 return _IMP_npctransport.RelaxingSpring___lt__(self, *args)
1301 def __ge__(self, *args):
1303 __ge__(RelaxingSpring self, RelaxingSpring o) -> bool
1304 __ge__(RelaxingSpring self, Particle d) -> bool
1306 return _IMP_npctransport.RelaxingSpring___ge__(self, *args)
1308 def __gt__(self, *args):
1310 __gt__(RelaxingSpring self, RelaxingSpring o) -> bool
1311 __gt__(RelaxingSpring self, Particle d) -> bool
1313 return _IMP_npctransport.RelaxingSpring___gt__(self, *args)
1316 r"""__hash__(RelaxingSpring self) -> std::size_t"""
1317 return _IMP_npctransport.RelaxingSpring___hash__(self)
1320 r"""__str__(RelaxingSpring self) -> std::string"""
1321 return _IMP_npctransport.RelaxingSpring___str__(self)
1324 r"""__repr__(RelaxingSpring self) -> std::string"""
1325 return _IMP_npctransport.RelaxingSpring___repr__(self)
1327 def _get_as_binary(self):
1328 r"""_get_as_binary(RelaxingSpring self) -> PyObject *"""
1329 return _IMP_npctransport.RelaxingSpring__get_as_binary(self)
1331 def _set_from_binary(self, p):
1332 r"""_set_from_binary(RelaxingSpring self, PyObject * p)"""
1333 return _IMP_npctransport.RelaxingSpring__set_from_binary(self, p)
1335 def __getstate__(self):
1336 p = self._get_as_binary()
1337 if len(self.__dict__) > 1:
1338 d = self.__dict__.copy()
1343 def __setstate__(self, p):
1344 if not hasattr(self,
'this'):
1346 if isinstance(p, tuple):
1348 self.__dict__.update(d)
1349 return self._set_from_binary(p)
1351 __swig_destroy__ = _IMP_npctransport.delete_RelaxingSpring
1354 _IMP_npctransport.RelaxingSpring_swigregister(RelaxingSpring)
1356 r"""Proxy of C++ IMP::npctransport::HarmonicSpringSingletonScore class."""
1358 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1360 def __init__(self, *args):
1361 r"""__init__(HarmonicSpringSingletonScore self, double k1, double k2, std::string name="HarmonicSpringSingletonScore%1%") -> HarmonicSpringSingletonScore"""
1362 _IMP_npctransport.HarmonicSpringSingletonScore_swiginit(self, _IMP_npctransport.new_HarmonicSpringSingletonScore(*args))
1364 def set_k1(self, k1):
1365 r"""set_k1(HarmonicSpringSingletonScore self, double k1)"""
1366 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k1(self, k1)
1369 r"""get_k1(HarmonicSpringSingletonScore self) -> double"""
1370 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k1(self)
1372 def set_k2(self, k2):
1373 r"""set_k2(HarmonicSpringSingletonScore self, double k2)"""
1374 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k2(self, k2)
1377 r"""get_k2(HarmonicSpringSingletonScore self) -> double"""
1378 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k2(self)
1380 def do_get_inputs(self, m, pis):
1381 r"""do_get_inputs(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1382 return _IMP_npctransport.HarmonicSpringSingletonScore_do_get_inputs(self, m, pis)
1384 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1385 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"""
1386 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1388 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1389 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"""
1390 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1392 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1393 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"""
1394 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1396 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1397 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"""
1398 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1400 def get_version_info(self):
1401 r"""get_version_info(HarmonicSpringSingletonScore self) -> VersionInfo"""
1402 return _IMP_npctransport.HarmonicSpringSingletonScore_get_version_info(self)
1403 __swig_destroy__ = _IMP_npctransport.delete_HarmonicSpringSingletonScore
1406 r"""__str__(HarmonicSpringSingletonScore self) -> std::string"""
1407 return _IMP_npctransport.HarmonicSpringSingletonScore___str__(self)
1410 r"""__repr__(HarmonicSpringSingletonScore self) -> std::string"""
1411 return _IMP_npctransport.HarmonicSpringSingletonScore___repr__(self)
1415 return _object_cast_to_HarmonicSpringSingletonScore(o)
1419 _IMP_npctransport.HarmonicSpringSingletonScore_swigregister(HarmonicSpringSingletonScore)
1420 class LinearInteraction(object):
1421 r"""Proxy of C++ IMP::npctransport::LinearInteraction class."""
1423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1424 __repr__ = _swig_repr
1426 def __init__(self, *args):
1428 __init__(LinearInteraction self, double krep, double attr_range, double kattr) -> LinearInteraction
1429 __init__(LinearInteraction self) -> LinearInteraction
1431 _IMP_npctransport.LinearInteraction_swiginit(self, _IMP_npctransport.new_LinearInteraction(*args))
1433 def show(self, *args):
1434 r"""show(LinearInteraction self, _ostream out=std::cout)"""
1435 return _IMP_npctransport.LinearInteraction_show(self, *args)
1436 __swig_destroy__ = _IMP_npctransport.delete_LinearInteraction
1439 _IMP_npctransport.LinearInteraction_swigregister(LinearInteraction)
1441 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearSoftSphereScore > class."""
1443 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1444 __repr__ = _swig_repr
1446 def __init__(self, *args):
1448 __init__(_DistancePairScoreForLinearSoftSphere self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearSoftSphere
1449 __init__(_DistancePairScoreForLinearSoftSphere self) -> _DistancePairScoreForLinearSoftSphere
1451 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearSoftSphere(*args))
1453 def do_get_inputs(self, m, pis):
1454 r"""do_get_inputs(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1455 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_do_get_inputs(self, m, pis)
1457 def get_score_functor(self, *args):
1459 get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound >
1460 get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > const &
1462 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_score_functor(self, *args)
1464 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1465 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"""
1466 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1468 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1469 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"""
1470 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1472 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1473 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"""
1474 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1476 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1477 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"""
1478 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1480 def get_version_info(self):
1481 r"""get_version_info(_DistancePairScoreForLinearSoftSphere self) -> VersionInfo"""
1482 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_version_info(self)
1483 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearSoftSphere
1486 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swigregister(_DistancePairScoreForLinearSoftSphere)
1487 class _DistancePairScoreForLinearInteraction(
IMP.PairScore):
1488 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearInteractionScore > class."""
1490 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1491 __repr__ = _swig_repr
1493 def __init__(self, *args):
1495 __init__(_DistancePairScoreForLinearInteraction self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearInteraction
1496 __init__(_DistancePairScoreForLinearInteraction self) -> _DistancePairScoreForLinearInteraction
1498 _IMP_npctransport._DistancePairScoreForLinearInteraction_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearInteraction(*args))
1500 def do_get_inputs(self, m, pis):
1501 r"""do_get_inputs(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1502 return _IMP_npctransport._DistancePairScoreForLinearInteraction_do_get_inputs(self, m, pis)
1504 def get_score_functor(self, *args):
1506 get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction >
1507 get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > const &
1509 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_score_functor(self, *args)
1511 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1512 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"""
1513 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1515 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1516 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"""
1517 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1519 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1520 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"""
1521 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1523 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1524 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"""
1525 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1527 def get_version_info(self):
1528 r"""get_version_info(_DistancePairScoreForLinearInteraction self) -> VersionInfo"""
1529 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_version_info(self)
1530 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearInteraction
1533 _IMP_npctransport._DistancePairScoreForLinearInteraction_swigregister(_DistancePairScoreForLinearInteraction)
1534 class FunctorLinearSoftSpherePairScore(_DistancePairScoreForLinearSoftSphere):
1535 r"""Proxy of C++ IMP::npctransport::FunctorLinearSoftSpherePairScore class."""
1537 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1539 def __init__(self, *args):
1540 r"""__init__(FunctorLinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> FunctorLinearSoftSpherePairScore"""
1541 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearSoftSpherePairScore(*args))
1542 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearSoftSpherePairScore
1545 r"""__str__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1546 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___str__(self)
1549 r"""__repr__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1550 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___repr__(self)
1554 return _object_cast_to_FunctorLinearSoftSpherePairScore(o)
1558 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swigregister(FunctorLinearSoftSpherePairScore)
1559 class FunctorLinearInteractionPairScore(_DistancePairScoreForLinearInteraction):
1560 r"""Proxy of C++ IMP::npctransport::FunctorLinearInteractionPairScore class."""
1562 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1564 def __init__(self, *args):
1565 r"""__init__(FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr, std::string name="LinearSSPairScore%1%") -> FunctorLinearInteractionPairScore"""
1566 _IMP_npctransport.FunctorLinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearInteractionPairScore(*args))
1567 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearInteractionPairScore
1570 r"""__str__(FunctorLinearInteractionPairScore self) -> std::string"""
1571 return _IMP_npctransport.FunctorLinearInteractionPairScore___str__(self)
1574 r"""__repr__(FunctorLinearInteractionPairScore self) -> std::string"""
1575 return _IMP_npctransport.FunctorLinearInteractionPairScore___repr__(self)
1579 return _object_cast_to_FunctorLinearInteractionPairScore(o)
1583 _IMP_npctransport.FunctorLinearInteractionPairScore_swigregister(FunctorLinearInteractionPairScore)
1585 r"""Proxy of C++ IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport class."""
1587 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1589 def __init__(self, *args):
1590 r"""__init__(BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name="BrownianDynamicsTAMDWithSlabSupport%1%", double wave_factor=1.0) -> BrownianDynamicsTAMDWithSlabSupport"""
1591 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swiginit(self, _IMP_npctransport.new_BrownianDynamicsTAMDWithSlabSupport(*args))
1594 r"""__str__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1595 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___str__(self)
1598 r"""__repr__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1599 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___repr__(self)
1603 return _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
1605 __swig_destroy__ = _IMP_npctransport.delete_BrownianDynamicsTAMDWithSlabSupport
1608 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swigregister(BrownianDynamicsTAMDWithSlabSupport)
1609 class SitesPairScoreParameters(object):
1610 r"""Proxy of C++ IMP::npctransport::SitesPairScoreParameters class."""
1612 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1613 r = property(_IMP_npctransport.SitesPairScoreParameters_r_get, _IMP_npctransport.SitesPairScoreParameters_r_set, doc=
r"""r : double""")
1614 k = property(_IMP_npctransport.SitesPairScoreParameters_k_get, _IMP_npctransport.SitesPairScoreParameters_k_set, doc=
r"""k : double""")
1615 r2 = property(_IMP_npctransport.SitesPairScoreParameters_r2_get, _IMP_npctransport.SitesPairScoreParameters_r2_set, doc=
r"""r2 : double""")
1616 kr = property(_IMP_npctransport.SitesPairScoreParameters_kr_get, _IMP_npctransport.SitesPairScoreParameters_kr_set, doc=
r"""kr : double""")
1617 kr2 = property(_IMP_npctransport.SitesPairScoreParameters_kr2_get, _IMP_npctransport.SitesPairScoreParameters_kr2_set, doc=
r"""kr2 : double""")
1618 cosSigma1_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_set, doc=
r"""cosSigma1_max : double""")
1619 cosSigma2_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_set, doc=
r"""cosSigma2_max : double""")
1620 is_orientational = property(_IMP_npctransport.SitesPairScoreParameters_is_orientational_get, _IMP_npctransport.SitesPairScoreParameters_is_orientational_set, doc=
r"""is_orientational : bool""")
1622 def __init__(self, range, k_coefficient, sigma1_max_deg=0.0, sigma2_max_deg=0.0):
1623 r"""__init__(SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0) -> SitesPairScoreParameters"""
1624 _IMP_npctransport.SitesPairScoreParameters_swiginit(self, _IMP_npctransport.new_SitesPairScoreParameters(range, k_coefficient, sigma1_max_deg, sigma2_max_deg))
1626 def set_range(self, r):
1627 r"""set_range(SitesPairScoreParameters self, double r)"""
1628 return _IMP_npctransport.SitesPairScoreParameters_set_range(self, r)
1630 def set_force_coefficient(self, k):
1631 r"""set_force_coefficient(SitesPairScoreParameters self, double k)"""
1632 return _IMP_npctransport.SitesPairScoreParameters_set_force_coefficient(self, k)
1634 def set_sigma1_max(self, sigma1_max_deg):
1635 r"""set_sigma1_max(SitesPairScoreParameters self, double sigma1_max_deg)"""
1636 return _IMP_npctransport.SitesPairScoreParameters_set_sigma1_max(self, sigma1_max_deg)
1638 def set_sigma2_max(self, sigma2_max_deg):
1639 r"""set_sigma2_max(SitesPairScoreParameters self, double sigma2_max_deg)"""
1640 return _IMP_npctransport.SitesPairScoreParameters_set_sigma2_max(self, sigma2_max_deg)
1642 def update_is_orientational(self):
1643 r"""update_is_orientational(SitesPairScoreParameters self)"""
1644 return _IMP_npctransport.SitesPairScoreParameters_update_is_orientational(self)
1646 def show(self, *args):
1647 r"""show(SitesPairScoreParameters self, _ostream out=std::cout)"""
1648 return _IMP_npctransport.SitesPairScoreParameters_show(self, *args)
1651 r"""__str__(SitesPairScoreParameters self) -> std::string"""
1652 return _IMP_npctransport.SitesPairScoreParameters___str__(self)
1655 r"""__repr__(SitesPairScoreParameters self) -> std::string"""
1656 return _IMP_npctransport.SitesPairScoreParameters___repr__(self)
1657 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScoreParameters
1660 _IMP_npctransport.SitesPairScoreParameters_swigregister(SitesPairScoreParameters)
1662 r"""Proxy of C++ IMP::npctransport::SitesGeometry class."""
1664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1666 def __init__(self, p, sites):
1667 r"""__init__(SitesGeometry self, Particle p, IMP::algebra::Sphere3Ds sites) -> SitesGeometry"""
1668 _IMP_npctransport.SitesGeometry_swiginit(self, _IMP_npctransport.new_SitesGeometry(p, sites))
1669 __swig_destroy__ = _IMP_npctransport.delete_SitesGeometry
1672 r"""__str__(SitesGeometry self) -> std::string"""
1673 return _IMP_npctransport.SitesGeometry___str__(self)
1676 r"""__repr__(SitesGeometry self) -> std::string"""
1677 return _IMP_npctransport.SitesGeometry___repr__(self)
1681 return _object_cast_to_SitesGeometry(o)
1685 _IMP_npctransport.SitesGeometry_swigregister(SitesGeometry)
1687 r"""Proxy of C++ IMP::npctransport::TypedSitesGeometry class."""
1689 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1691 def __init__(self, sc):
1692 r"""__init__(TypedSitesGeometry self, _SingletonContainerAdaptor sc) -> TypedSitesGeometry"""
1693 _IMP_npctransport.TypedSitesGeometry_swiginit(self, _IMP_npctransport.new_TypedSitesGeometry(sc))
1695 def set_sites(self, t, s):
1696 r"""set_sites(TypedSitesGeometry self, ParticleType t, IMP::algebra::Sphere3Ds s)"""
1697 return _IMP_npctransport.TypedSitesGeometry_set_sites(self, t, s)
1699 def get_version_info(self):
1700 r"""get_version_info(TypedSitesGeometry self) -> VersionInfo"""
1701 return _IMP_npctransport.TypedSitesGeometry_get_version_info(self)
1702 __swig_destroy__ = _IMP_npctransport.delete_TypedSitesGeometry
1705 r"""__str__(TypedSitesGeometry self) -> std::string"""
1706 return _IMP_npctransport.TypedSitesGeometry___str__(self)
1709 r"""__repr__(TypedSitesGeometry self) -> std::string"""
1710 return _IMP_npctransport.TypedSitesGeometry___repr__(self)
1714 return _object_cast_to_TypedSitesGeometry(o)
1718 _IMP_npctransport.TypedSitesGeometry_swigregister(TypedSitesGeometry)
1719 class SitesPairScore(LinearInteractionPairScore):
1720 r"""Proxy of C++ IMP::npctransport::SitesPairScore class."""
1722 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1724 def __init__(self, range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1):
1725 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"""
1726 _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))
1728 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1729 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"""
1730 return _IMP_npctransport.SitesPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1732 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1733 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"""
1734 return _IMP_npctransport.SitesPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1736 def get_sites_range(self):
1737 r"""get_sites_range(SitesPairScore self) -> double"""
1738 return _IMP_npctransport.SitesPairScore_get_sites_range(self)
1740 def get_sites_k(self):
1741 r"""get_sites_k(SitesPairScore self) -> double"""
1742 return _IMP_npctransport.SitesPairScore_get_sites_k(self)
1744 def get_parameters(self):
1745 r"""get_parameters(SitesPairScore self) -> SitesPairScoreParameters"""
1746 return _IMP_npctransport.SitesPairScore_get_parameters(self)
1747 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScore
1749 def set_sites(self, sites0, sites1):
1750 r"""set_sites(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1)"""
1751 return _IMP_npctransport.SitesPairScore_set_sites(self, sites0, sites1)
1753 def set_sites0(self, sites0):
1754 r"""set_sites0(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0)"""
1755 return _IMP_npctransport.SitesPairScore_set_sites0(self, sites0)
1757 def set_sites1(self, sites1):
1758 r"""set_sites1(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites1)"""
1759 return _IMP_npctransport.SitesPairScore_set_sites1(self, sites1)
1762 r"""__str__(SitesPairScore self) -> std::string"""
1763 return _IMP_npctransport.SitesPairScore___str__(self)
1766 r"""__repr__(SitesPairScore self) -> std::string"""
1767 return _IMP_npctransport.SitesPairScore___repr__(self)
1771 return _object_cast_to_SitesPairScore(o)
1775 _IMP_npctransport.SitesPairScore_swigregister(SitesPairScore)
1777 r"""Proxy of C++ IMP::npctransport::FGChain class."""
1779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1781 def __init__(self, *args):
1782 r"""__init__(FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0, std::string name="chain %1%") -> FGChain"""
1783 _IMP_npctransport.FGChain_swiginit(self, _IMP_npctransport.new_FGChain(*args))
1786 r"""get_root(FGChain self) -> Hierarchy"""
1787 return _IMP_npctransport.FGChain_get_root(self)
1789 def get_beads(self):
1790 r"""get_beads(FGChain self) -> IMP::ParticlesTemp"""
1791 return _IMP_npctransport.FGChain_get_beads(self)
1793 def get_bead(self, i):
1794 r"""get_bead(FGChain self, unsigned int i) -> Particle"""
1795 return _IMP_npctransport.FGChain_get_bead(self, i)
1797 def get_bead_index(self, i):
1798 r"""get_bead_index(FGChain self, unsigned int i) -> ParticleIndex"""
1799 return _IMP_npctransport.FGChain_get_bead_index(self, i)
1801 def get_number_of_beads(self):
1802 r"""get_number_of_beads(FGChain self) -> unsigned int"""
1803 return _IMP_npctransport.FGChain_get_number_of_beads(self)
1805 def get_chain_restraints(self, scoring_manager):
1806 r"""get_chain_restraints(FGChain self, Scoring scoring_manager) -> IMP::Restraints"""
1807 return _IMP_npctransport.FGChain_get_chain_restraints(self, scoring_manager)
1809 def set_rest_length_factor(self, rlf):
1810 r"""set_rest_length_factor(FGChain self, double rlf)"""
1811 return _IMP_npctransport.FGChain_set_rest_length_factor(self, rlf)
1813 def set_backbone_k(self, k):
1814 r"""set_backbone_k(FGChain self, double k)"""
1815 return _IMP_npctransport.FGChain_set_backbone_k(self, k)
1817 def get_rest_length_factor(self):
1818 r"""get_rest_length_factor(FGChain self) -> double"""
1819 return _IMP_npctransport.FGChain_get_rest_length_factor(self)
1821 def get_backbone_k(self):
1822 r"""get_backbone_k(FGChain self) -> double"""
1823 return _IMP_npctransport.FGChain_get_backbone_k(self)
1825 def get_version_info(self):
1826 r"""get_version_info(FGChain self) -> VersionInfo"""
1827 return _IMP_npctransport.FGChain_get_version_info(self)
1828 __swig_destroy__ = _IMP_npctransport.delete_FGChain
1831 r"""__str__(FGChain self) -> std::string"""
1832 return _IMP_npctransport.FGChain___str__(self)
1835 r"""__repr__(FGChain self) -> std::string"""
1836 return _IMP_npctransport.FGChain___repr__(self)
1840 return _object_cast_to_FGChain(o)
1844 _IMP_npctransport.FGChain_swigregister(FGChain)
1847 r"""create_fg_chain(SimulationData sd, Hierarchy parent, ::npctransport_proto::Assignment_FGAssignment const & fg_data, Color c) -> FGChain"""
1848 return _IMP_npctransport.create_fg_chain(sd, parent, fg_data, c)
1852 get_fg_chain(Hierarchy root) -> FGChain
1853 get_fg_chain(Particle p_root) -> FGChain
1855 return _IMP_npctransport.get_fg_chain(*args)
1857 r"""Proxy of C++ IMP::npctransport::Scoring class."""
1859 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1861 def __init__(self, owner_sd, data):
1862 r"""__init__(Scoring self, SimulationData owner_sd, ::npctransport_proto::Assignment const & data) -> Scoring"""
1863 _IMP_npctransport.Scoring_swiginit(self, _IMP_npctransport.new_Scoring(owner_sd, data))
1865 def get_scoring_function(self, force_update=False):
1866 r"""get_scoring_function(Scoring self, bool force_update=False) -> ScoringFunction"""
1867 return _IMP_npctransport.Scoring_get_scoring_function(self, force_update)
1869 def get_scoring_function_restraints(self, force_update=False):
1870 r"""get_scoring_function_restraints(Scoring self, bool force_update=False) -> IMP::Restraints"""
1871 return _IMP_npctransport.Scoring_get_scoring_function_restraints(self, force_update)
1873 def get_custom_scoring_function(self, *args):
1875 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
1876 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
1878 return _IMP_npctransport.Scoring_get_custom_scoring_function(self, *args)
1880 def get_close_beads_container(self, update=False):
1881 r"""get_close_beads_container(Scoring self, bool update=False) -> PairContainer"""
1882 return _IMP_npctransport.Scoring_get_close_beads_container(self, update)
1884 def get_predicates_pair_restraint(self, update=False):
1885 r"""get_predicates_pair_restraint(Scoring self, bool update=False) -> PredicatePairsRestraint"""
1886 return _IMP_npctransport.Scoring_get_predicates_pair_restraint(self, update)
1888 def get_bounding_volume_restraint(self, update=False):
1889 r"""get_bounding_volume_restraint(Scoring self, bool update=False) -> Restraint"""
1890 return _IMP_npctransport.Scoring_get_bounding_volume_restraint(self, update)
1892 def get_slab_restraint(self, update=False):
1893 r"""get_slab_restraint(Scoring self, bool update=False) -> Restraint"""
1894 return _IMP_npctransport.Scoring_get_slab_restraint(self, update)
1896 def add_interaction(self, idata):
1897 r"""add_interaction(Scoring self, ::npctransport_proto::Assignment_InteractionAssignment const & idata)"""
1898 return _IMP_npctransport.Scoring_add_interaction(self, idata)
1900 def create_close_beads_container(self, *args):
1902 create_close_beads_container(Scoring self, _SingletonContainerAdaptor non_optimiziable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1903 create_close_beads_container(Scoring self, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1905 return _IMP_npctransport.Scoring_create_close_beads_container(self, *args)
1907 def create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on=True):
1908 r"""create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs, bool is_attr_interactions_on=True) -> PredicatePairsRestraint"""
1909 return _IMP_npctransport.Scoring_create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on)
1911 def create_bounding_volume_restraint(self, beads):
1912 r"""create_bounding_volume_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1913 return _IMP_npctransport.Scoring_create_bounding_volume_restraint(self, beads)
1915 def create_slab_restraint(self, beads):
1916 r"""create_slab_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1917 return _IMP_npctransport.Scoring_create_slab_restraint(self, beads)
1919 def get_model(self):
1920 r"""get_model(Scoring self) -> Model"""
1921 return _IMP_npctransport.Scoring_get_model(self)
1924 r"""get_sd(Scoring self) -> SimulationData"""
1925 return _IMP_npctransport.Scoring_get_sd(self)
1927 def get_has_bounding_box(self):
1928 r"""get_has_bounding_box(Scoring self) -> bool"""
1929 return _IMP_npctransport.Scoring_get_has_bounding_box(self)
1931 def get_has_bounding_sphere(self):
1932 r"""get_has_bounding_sphere(Scoring self) -> bool"""
1933 return _IMP_npctransport.Scoring_get_has_bounding_sphere(self)
1935 def get_has_bounding_volume(self):
1936 r"""get_has_bounding_volume(Scoring self) -> bool"""
1937 return _IMP_npctransport.Scoring_get_has_bounding_volume(self)
1939 def get_default_backbone_k(self):
1940 r"""get_default_backbone_k(Scoring self) -> double"""
1941 return _IMP_npctransport.Scoring_get_default_backbone_k(self)
1943 def get_is_backbone_harmonic(self):
1944 r"""get_is_backbone_harmonic(Scoring self) -> bool"""
1945 return _IMP_npctransport.Scoring_get_is_backbone_harmonic(self)
1947 def get_excluded_volume_k(self):
1948 r"""get_excluded_volume_k(Scoring self) -> double"""
1949 return _IMP_npctransport.Scoring_get_excluded_volume_k(self)
1951 def get_interaction_k(self):
1952 r"""get_interaction_k(Scoring self) -> double"""
1953 return _IMP_npctransport.Scoring_get_interaction_k(self)
1955 def get_predicate_pair_score(self, *args):
1957 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1958 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1960 return _IMP_npctransport.Scoring_get_predicate_pair_score(self, *args)
1962 def get_interaction_range_for(self, t1, t2, site_specific=True, non_specific=False):
1963 r"""get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True, bool non_specific=False) -> double"""
1964 return _IMP_npctransport.Scoring_get_interaction_range_for(self, t1, t2, site_specific, non_specific)
1966 def get_ordered_type_pair_predicate(self):
1967 r"""get_ordered_type_pair_predicate(Scoring self) -> OrderedTypePairPredicate"""
1968 return _IMP_npctransport.Scoring_get_ordered_type_pair_predicate(self)
1970 def add_chain_restraints(self, chain):
1971 r"""add_chain_restraints(Scoring self, FGChain chain)"""
1972 return _IMP_npctransport.Scoring_add_chain_restraints(self, chain)
1974 def get_chain_restraints_on(self, beads):
1975 r"""get_chain_restraints_on(Scoring self, _SingletonContainerAdaptor beads) -> IMP::Restraints"""
1976 return _IMP_npctransport.Scoring_get_chain_restraints_on(self, beads)
1978 def get_all_chain_restraints(self):
1979 r"""get_all_chain_restraints(Scoring self) -> IMP::Restraints"""
1980 return _IMP_npctransport.Scoring_get_all_chain_restraints(self)
1982 def remove_particle_type(self, pt):
1983 r"""remove_particle_type(Scoring self, ParticleType pt)"""
1984 return _IMP_npctransport.Scoring_remove_particle_type(self, pt)
1986 def add_z_bias_restraint(self, *args):
1988 add_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k, double z)
1989 add_z_bias_restraint(Scoring self, Particle p, double k, double z)
1991 return _IMP_npctransport.Scoring_add_z_bias_restraint(self, *args)
1993 def get_z_bias_restraints(self):
1994 r"""get_z_bias_restraints(Scoring self) -> IMP::Restraints"""
1995 return _IMP_npctransport.Scoring_get_z_bias_restraints(self)
1997 def create_z_bias_restraint(self, ps, k, z):
1998 r"""create_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k, double z) -> Restraint"""
1999 return _IMP_npctransport.Scoring_create_z_bias_restraint(self, ps, k, z)
2001 def add_custom_restraint(self, r):
2002 r"""add_custom_restraint(Scoring self, Restraint r)"""
2003 return _IMP_npctransport.Scoring_add_custom_restraint(self, r)
2005 def add_custom_restraints(self, R):
2006 r"""add_custom_restraints(Scoring self, IMP::Restraints R)"""
2007 return _IMP_npctransport.Scoring_add_custom_restraints(self, R)
2009 def clear_custom_restraints(self):
2010 r"""clear_custom_restraints(Scoring self)"""
2011 return _IMP_npctransport.Scoring_clear_custom_restraints(self)
2013 def get_custom_restraints(self):
2014 r"""get_custom_restraints(Scoring self) -> IMP::Restraints"""
2015 return _IMP_npctransport.Scoring_get_custom_restraints(self)
2017 def add_restrained_anchor_bead(self, p):
2018 r"""add_restrained_anchor_bead(Scoring self, Particle p)"""
2019 return _IMP_npctransport.Scoring_add_restrained_anchor_bead(self, p)
2021 def get_pore_radius_restraint(self):
2022 r"""get_pore_radius_restraint(Scoring self) -> Restraint"""
2023 return _IMP_npctransport.Scoring_get_pore_radius_restraint(self)
2025 def get_range(self):
2026 r"""get_range(Scoring self) -> double"""
2027 return _IMP_npctransport.Scoring_get_range(self)
2029 def set_interaction_range_factor(self, type, value):
2030 r"""set_interaction_range_factor(Scoring self, ParticleType type, double value)"""
2031 return _IMP_npctransport.Scoring_set_interaction_range_factor(self, type, value)
2033 def set_interaction_k_factor(self, type, value):
2034 r"""set_interaction_k_factor(Scoring self, ParticleType type, double value)"""
2035 return _IMP_npctransport.Scoring_set_interaction_k_factor(self, type, value)
2037 def get_version_info(self):
2038 r"""get_version_info(Scoring self) -> VersionInfo"""
2039 return _IMP_npctransport.Scoring_get_version_info(self)
2040 __swig_destroy__ = _IMP_npctransport.delete_Scoring
2043 r"""__str__(Scoring self) -> std::string"""
2044 return _IMP_npctransport.Scoring___str__(self)
2047 r"""__repr__(Scoring self) -> std::string"""
2048 return _IMP_npctransport.Scoring___repr__(self)
2052 return _object_cast_to_Scoring(o)
2056 _IMP_npctransport.Scoring_swigregister(Scoring)
2057 class SimpleTimer(object):
2058 r"""Proxy of C++ IMP::internal::SimpleTimer class."""
2060 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2061 __repr__ = _swig_repr
2064 r"""__init__(SimpleTimer self) -> SimpleTimer"""
2065 _IMP_npctransport.SimpleTimer_swiginit(self, _IMP_npctransport.new_SimpleTimer())
2066 __swig_destroy__ = _IMP_npctransport.delete_SimpleTimer
2069 _IMP_npctransport.SimpleTimer_swigregister(SimpleTimer)
2071 r"""Proxy of C++ IMP::npctransport::Statistics class."""
2073 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2075 def remove_particle_type(self, pt):
2076 r"""remove_particle_type(Statistics self, ParticleType pt)"""
2077 return _IMP_npctransport.Statistics_remove_particle_type(self, pt)
2079 def __init__(self, sd, statistics_interval_frames, output_file_name):
2080 r"""__init__(Statistics self, SimulationData sd, unsigned int statistics_interval_frames, std::string output_file_name) -> Statistics"""
2081 _IMP_npctransport.Statistics_swiginit(self, _IMP_npctransport.new_Statistics(sd, statistics_interval_frames, output_file_name))
2083 def add_fg_chain_stats(self, fg_chain):
2084 r"""add_fg_chain_stats(Statistics self, FGChain fg_chain)"""
2085 return _IMP_npctransport.Statistics_add_fg_chain_stats(self, fg_chain)
2087 def add_floater_stats(self, p):
2088 r"""add_floater_stats(Statistics self, Particle p)"""
2089 return _IMP_npctransport.Statistics_add_floater_stats(self, p)
2091 def add_interaction_stats(self, type0, type1):
2092 r"""add_interaction_stats(Statistics self, ParticleType type0, ParticleType type1)"""
2093 return _IMP_npctransport.Statistics_add_interaction_stats(self, type0, type1)
2095 def add_optimizer_states(self, o=None):
2096 r"""add_optimizer_states(Statistics self, Optimizer o=None) -> IMP::OptimizerStates"""
2097 return _IMP_npctransport.Statistics_add_optimizer_states(self, o)
2099 def update_particle_type_zr_distribution_map(self, p):
2100 r"""update_particle_type_zr_distribution_map(Statistics self, Particle p)"""
2101 return _IMP_npctransport.Statistics_update_particle_type_zr_distribution_map(self, p)
2103 def update_particle_type_xyz_distribution_map(self, p):
2104 r"""update_particle_type_xyz_distribution_map(Statistics self, Particle p)"""
2105 return _IMP_npctransport.Statistics_update_particle_type_xyz_distribution_map(self, p)
2107 def update(self, timer, nf_new=1, force_full_output=False):
2108 r"""update(Statistics self, SimpleTimer timer, unsigned int nf_new=1, bool force_full_output=False)"""
2109 return _IMP_npctransport.Statistics_update(self, timer, nf_new, force_full_output)
2111 def reset_statistics_optimizer_states(self):
2112 r"""reset_statistics_optimizer_states(Statistics self)"""
2113 return _IMP_npctransport.Statistics_reset_statistics_optimizer_states(self)
2115 def set_interrupted(self, tf):
2116 r"""set_interrupted(Statistics self, bool tf)"""
2117 return _IMP_npctransport.Statistics_set_interrupted(self, tf)
2119 def get_model(self):
2120 r"""get_model(Statistics self) -> Model"""
2121 return _IMP_npctransport.Statistics_get_model(self)
2124 r"""get_sd(Statistics self) -> SimulationData"""
2125 return _IMP_npctransport.Statistics_get_sd(self)
2127 def get_is_activated(self):
2128 r"""get_is_activated(Statistics self) -> bool"""
2129 return _IMP_npctransport.Statistics_get_is_activated(self)
2131 def get_output_file_name(self):
2132 r"""get_output_file_name(Statistics self) -> std::string"""
2133 return _IMP_npctransport.Statistics_get_output_file_name(self)
2135 def get_version_info(self):
2136 r"""get_version_info(Statistics self) -> VersionInfo"""
2137 return _IMP_npctransport.Statistics_get_version_info(self)
2138 __swig_destroy__ = _IMP_npctransport.delete_Statistics
2141 r"""__str__(Statistics self) -> std::string"""
2142 return _IMP_npctransport.Statistics___str__(self)
2145 r"""__repr__(Statistics self) -> std::string"""
2146 return _IMP_npctransport.Statistics___repr__(self)
2150 return _object_cast_to_Statistics(o)
2154 _IMP_npctransport.Statistics_swigregister(Statistics)
2156 def create_boost_timer():
2157 r"""create_boost_timer() -> SimpleTimer"""
2158 return _IMP_npctransport.create_boost_timer()
2159 IMPNPCTRANSPORT_VERSION = _IMP_npctransport.IMPNPCTRANSPORT_VERSION
2162 r"""Proxy of C++ IMP::npctransport::SimulationData class."""
2164 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2166 def get_output_npctransport_version(self):
2167 r"""get_output_npctransport_version(SimulationData self) -> double"""
2168 return _IMP_npctransport.SimulationData_get_output_npctransport_version(self)
2170 def get_range(self):
2171 r"""get_range(SimulationData self) -> double"""
2172 return _IMP_npctransport.SimulationData_get_range(self)
2174 def get_output_statistics_interval_frames(self):
2175 r"""get_output_statistics_interval_frames(SimulationData self) -> int"""
2176 return _IMP_npctransport.SimulationData_get_output_statistics_interval_frames(self)
2178 def get_full_output_statistics_interval_factor(self):
2179 r"""get_full_output_statistics_interval_factor(SimulationData self) -> int"""
2180 return _IMP_npctransport.SimulationData_get_full_output_statistics_interval_factor(self)
2182 def get_is_multiple_hdf5s(self):
2183 r"""get_is_multiple_hdf5s(SimulationData self) -> bool"""
2184 return _IMP_npctransport.SimulationData_get_is_multiple_hdf5s(self)
2186 def get_is_exclude_floaters_from_slab_initially(self):
2187 r"""get_is_exclude_floaters_from_slab_initially(SimulationData self) -> bool"""
2188 return _IMP_npctransport.SimulationData_get_is_exclude_floaters_from_slab_initially(self)
2190 def get_are_floaters_on_one_slab_side(self):
2191 r"""get_are_floaters_on_one_slab_side(SimulationData self) -> bool"""
2192 return _IMP_npctransport.SimulationData_get_are_floaters_on_one_slab_side(self)
2194 def get_is_xyz_hist_stats(self):
2195 r"""get_is_xyz_hist_stats(SimulationData self) -> bool"""
2196 return _IMP_npctransport.SimulationData_get_is_xyz_hist_stats(self)
2198 def get_xyz_stats_crop_factor(self):
2199 r"""get_xyz_stats_crop_factor(SimulationData self) -> double"""
2200 return _IMP_npctransport.SimulationData_get_xyz_stats_crop_factor(self)
2202 def get_xyz_stats_voxel_size_A(self):
2203 r"""get_xyz_stats_voxel_size_A(SimulationData self) -> double"""
2204 return _IMP_npctransport.SimulationData_get_xyz_stats_voxel_size_A(self)
2206 def get_xyz_stats_max_box_size_A(self):
2207 r"""get_xyz_stats_max_box_size_A(SimulationData self) -> double"""
2208 return _IMP_npctransport.SimulationData_get_xyz_stats_max_box_size_A(self)
2210 def get_angular_d_factor(self):
2211 r"""get_angular_d_factor(SimulationData self) -> double"""
2212 return _IMP_npctransport.SimulationData_get_angular_d_factor(self)
2214 def __init__(self, *args):
2215 r"""__init__(SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name=std::string(), std::string new_output_file="") -> SimulationData"""
2216 _IMP_npctransport.SimulationData_swiginit(self, _IMP_npctransport.new_SimulationData(*args))
2218 def get_model(self):
2219 r"""get_model(SimulationData self) -> Model"""
2220 return _IMP_npctransport.SimulationData_get_model(self)
2222 def get_scoring(self):
2223 r"""get_scoring(SimulationData self) -> Scoring"""
2224 return _IMP_npctransport.SimulationData_get_scoring(self)
2226 def get_statistics(self):
2227 r"""get_statistics(SimulationData self) -> Statistics"""
2228 return _IMP_npctransport.SimulationData_get_statistics(self)
2230 def get_bd(self, recreate=False):
2231 r"""get_bd(SimulationData self, bool recreate=False) -> BrownianDynamics"""
2232 return _IMP_npctransport.SimulationData_get_bd(self, recreate)
2234 def activate_statistics(self):
2235 r"""activate_statistics(SimulationData self)"""
2236 return _IMP_npctransport.SimulationData_activate_statistics(self)
2238 def get_statistics_fraction(self):
2239 r"""get_statistics_fraction(SimulationData self) -> double"""
2240 return _IMP_npctransport.SimulationData_get_statistics_fraction(self)
2242 def get_is_fg_bead(self, *args):
2244 get_is_fg_bead(SimulationData self, ParticleIndex pi) -> bool
2245 get_is_fg_bead(SimulationData self, ParticleType pt) -> bool
2247 return _IMP_npctransport.SimulationData_get_is_fg_bead(self, *args)
2249 def get_is_fg_chain(self, *args):
2251 get_is_fg_chain(SimulationData self, ParticleIndex pi) -> bool
2252 get_is_fg_chain(SimulationData self, ParticleType pt) -> bool
2254 return _IMP_npctransport.SimulationData_get_is_fg_chain(self, *args)
2256 def get_fg_bead_types(self):
2257 r"""get_fg_bead_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2258 return _IMP_npctransport.SimulationData_get_fg_bead_types(self)
2260 def get_fg_chain_types(self):
2261 r"""get_fg_chain_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2262 return _IMP_npctransport.SimulationData_get_fg_chain_types(self)
2264 def get_floater_types(self):
2265 r"""get_floater_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2266 return _IMP_npctransport.SimulationData_get_floater_types(self)
2268 def get_obstacle_types(self):
2269 r"""get_obstacle_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2270 return _IMP_npctransport.SimulationData_get_obstacle_types(self)
2272 def get_fg_chain_roots(self):
2273 r"""get_fg_chain_roots(SimulationData self) -> IMP::atom::Hierarchies"""
2274 return _IMP_npctransport.SimulationData_get_fg_chain_roots(self)
2276 def get_fg_chains(self):
2277 r"""get_fg_chains(SimulationData self) -> IMP::atom::Hierarchies"""
2278 return _IMP_npctransport.SimulationData_get_fg_chains(self)
2280 def get_obstacle_particles(self):
2281 r"""get_obstacle_particles(SimulationData self) -> IMP::ParticlesTemp"""
2282 return _IMP_npctransport.SimulationData_get_obstacle_particles(self)
2284 def get_beads(self):
2285 r"""get_beads(SimulationData self) -> IMP::ParticlesTemp"""
2286 return _IMP_npctransport.SimulationData_get_beads(self)
2288 def get_optimizable_beads(self):
2289 r"""get_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2290 return _IMP_npctransport.SimulationData_get_optimizable_beads(self)
2292 def get_non_optimizable_beads(self):
2293 r"""get_non_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2294 return _IMP_npctransport.SimulationData_get_non_optimizable_beads(self)
2296 def get_is_backbone_harmonic(self):
2297 r"""get_is_backbone_harmonic(SimulationData self) -> bool"""
2298 return _IMP_npctransport.SimulationData_get_is_backbone_harmonic(self)
2300 def get_backbone_tau_ns(self):
2301 r"""get_backbone_tau_ns(SimulationData self) -> double"""
2302 return _IMP_npctransport.SimulationData_get_backbone_tau_ns(self)
2304 def get_temperature_k(self):
2305 r"""get_temperature_k(SimulationData self) -> double"""
2306 return _IMP_npctransport.SimulationData_get_temperature_k(self)
2308 def get_initial_simulation_time_ns(self):
2309 r"""get_initial_simulation_time_ns(SimulationData self) -> double"""
2310 return _IMP_npctransport.SimulationData_get_initial_simulation_time_ns(self)
2312 def get_site_centers(self, t0):
2313 r"""get_site_centers(SimulationData self, ParticleType t0) -> IMP::algebra::Vector3Ds"""
2314 return _IMP_npctransport.SimulationData_get_site_centers(self, t0)
2316 def get_sites(self, t0):
2317 r"""get_sites(SimulationData self, ParticleType t0) -> IMP::algebra::Sphere3Ds"""
2318 return _IMP_npctransport.SimulationData_get_sites(self, t0)
2320 def set_sites(self, *args):
2322 set_sites(SimulationData self, ParticleType t0, int n, double r, double sr)
2323 set_sites(SimulationData self, ParticleType t0, IMP::algebra::Sphere3Ds const & sites)
2325 return _IMP_npctransport.SimulationData_set_sites(self, *args)
2327 def get_site_display_radius(self, arg2):
2328 r"""get_site_display_radius(SimulationData self, ParticleType arg2) -> double"""
2329 return _IMP_npctransport.SimulationData_get_site_display_radius(self, arg2)
2331 def get_maximum_number_of_minutes(self):
2332 r"""get_maximum_number_of_minutes(SimulationData self) -> double"""
2333 return _IMP_npctransport.SimulationData_get_maximum_number_of_minutes(self)
2335 def remove_particle_type(self, pt):
2336 r"""remove_particle_type(SimulationData self, ParticleType pt)"""
2337 return _IMP_npctransport.SimulationData_remove_particle_type(self, pt)
2339 def remove_fgs_with_prefix(self, s_fg_type):
2340 r"""remove_fgs_with_prefix(SimulationData self, std::string s_fg_type)"""
2341 return _IMP_npctransport.SimulationData_remove_fgs_with_prefix(self, s_fg_type)
2343 def get_bounding_box(self):
2344 r"""get_bounding_box(SimulationData self) -> BoundingBox3D"""
2345 return _IMP_npctransport.SimulationData_get_bounding_box(self)
2347 def get_bounding_sphere(self):
2348 r"""get_bounding_sphere(SimulationData self) -> Sphere3D"""
2349 return _IMP_npctransport.SimulationData_get_bounding_sphere(self)
2351 def get_bounding_box_size(self):
2352 r"""get_bounding_box_size(SimulationData self) -> double"""
2353 return _IMP_npctransport.SimulationData_get_bounding_box_size(self)
2355 def set_bounding_box_size(self, box_size):
2356 r"""set_bounding_box_size(SimulationData self, double box_size)"""
2357 return _IMP_npctransport.SimulationData_set_bounding_box_size(self, box_size)
2359 def get_bounding_sphere_radius(self):
2360 r"""get_bounding_sphere_radius(SimulationData self) -> double"""
2361 return _IMP_npctransport.SimulationData_get_bounding_sphere_radius(self)
2363 def set_bounding_sphere_radius(self, sphere_radius):
2364 r"""set_bounding_sphere_radius(SimulationData self, double sphere_radius)"""
2365 return _IMP_npctransport.SimulationData_set_bounding_sphere_radius(self, sphere_radius)
2367 def get_bounding_volume(self):
2368 r"""get_bounding_volume(SimulationData self) -> double"""
2369 return _IMP_npctransport.SimulationData_get_bounding_volume(self)
2371 def set_bounding_volume(self, volume_A3):
2372 r"""set_bounding_volume(SimulationData self, double volume_A3)"""
2373 return _IMP_npctransport.SimulationData_set_bounding_volume(self, volume_A3)
2375 def get_has_slab(self):
2376 r"""get_has_slab(SimulationData self) -> bool"""
2377 return _IMP_npctransport.SimulationData_get_has_slab(self)
2379 def get_is_slab_with_cylindrical_pore(self):
2380 r"""get_is_slab_with_cylindrical_pore(SimulationData self) -> bool"""
2381 return _IMP_npctransport.SimulationData_get_is_slab_with_cylindrical_pore(self)
2383 def get_is_slab_with_toroidal_pore(self):
2384 r"""get_is_slab_with_toroidal_pore(SimulationData self) -> bool"""
2385 return _IMP_npctransport.SimulationData_get_is_slab_with_toroidal_pore(self)
2387 def get_slab_particle(self):
2388 r"""get_slab_particle(SimulationData self) -> Particle"""
2389 return _IMP_npctransport.SimulationData_get_slab_particle(self)
2391 def get_cylinder(self):
2392 r"""get_cylinder(SimulationData self) -> Cylinder3D"""
2393 return _IMP_npctransport.SimulationData_get_cylinder(self)
2395 def get_has_bounding_box(self):
2396 r"""get_has_bounding_box(SimulationData self) -> bool"""
2397 return _IMP_npctransport.SimulationData_get_has_bounding_box(self)
2399 def get_has_bounding_sphere(self):
2400 r"""get_has_bounding_sphere(SimulationData self) -> bool"""
2401 return _IMP_npctransport.SimulationData_get_has_bounding_sphere(self)
2403 def get_has_bounding_volume(self):
2404 r"""get_has_bounding_volume(SimulationData self) -> bool"""
2405 return _IMP_npctransport.SimulationData_get_has_bounding_volume(self)
2407 def initialize_positions_from_rmf(self, fh, frame_number=-1):
2408 r"""initialize_positions_from_rmf(SimulationData self, FileConstHandle fh, int frame_number=-1)"""
2409 return _IMP_npctransport.SimulationData_initialize_positions_from_rmf(self, fh, frame_number)
2411 def link_rmf_file_handle(self, fh, is_restraints=True):
2412 r"""link_rmf_file_handle(SimulationData self, FileHandle fh, bool is_restraints=True)"""
2413 return _IMP_npctransport.SimulationData_link_rmf_file_handle(self, fh, is_restraints)
2415 def get_rmf_sos_writer(self):
2416 r"""get_rmf_sos_writer(SimulationData self) -> SaveOptimizerState"""
2417 return _IMP_npctransport.SimulationData_get_rmf_sos_writer(self)
2419 def reset_rmf(self):
2420 r"""reset_rmf(SimulationData self)"""
2421 return _IMP_npctransport.SimulationData_reset_rmf(self)
2423 def switch_suspend_rmf(self, suspend):
2424 r"""switch_suspend_rmf(SimulationData self, bool suspend)"""
2425 return _IMP_npctransport.SimulationData_switch_suspend_rmf(self, suspend)
2427 def write_geometry(self, out):
2428 r"""write_geometry(SimulationData self, std::string out)"""
2429 return _IMP_npctransport.SimulationData_write_geometry(self, out)
2431 def dump_geometry(self):
2432 r"""dump_geometry(SimulationData self)"""
2433 return _IMP_npctransport.SimulationData_dump_geometry(self)
2435 def get_root_of_type(self, type):
2436 r"""get_root_of_type(SimulationData self, ParticleType type) -> Hierarchy"""
2437 return _IMP_npctransport.SimulationData_get_root_of_type(self, type)
2440 r"""get_number_of_frames(SimulationData self) -> unsigned int"""
2441 return _IMP_npctransport.SimulationData_get_number_of_frames(self)
2443 def get_number_of_trials(self):
2444 r"""get_number_of_trials(SimulationData self) -> unsigned int"""
2445 return _IMP_npctransport.SimulationData_get_number_of_trials(self)
2448 r"""get_root(SimulationData self) -> Hierarchy"""
2449 return _IMP_npctransport.SimulationData_get_root(self)
2451 def get_slab_thickness(self):
2452 r"""get_slab_thickness(SimulationData self) -> double"""
2453 return _IMP_npctransport.SimulationData_get_slab_thickness(self)
2455 def get_tunnel_radius(self):
2456 r"""get_tunnel_radius(SimulationData self) -> double"""
2457 return _IMP_npctransport.SimulationData_get_tunnel_radius(self)
2459 def get_pore_radius(self):
2460 r"""get_pore_radius(SimulationData self) -> double"""
2461 return _IMP_npctransport.SimulationData_get_pore_radius(self)
2463 def get_tunnel_radius_k(self):
2464 r"""get_tunnel_radius_k(SimulationData self) -> double"""
2465 return _IMP_npctransport.SimulationData_get_tunnel_radius_k(self)
2467 def get_pore_radius_k(self):
2468 r"""get_pore_radius_k(SimulationData self) -> double"""
2469 return _IMP_npctransport.SimulationData_get_pore_radius_k(self)
2471 def get_is_pore_radius_dynamic(self):
2472 r"""get_is_pore_radius_dynamic(SimulationData self) -> bool"""
2473 return _IMP_npctransport.SimulationData_get_is_pore_radius_dynamic(self)
2475 def get_pore_anchored_beads_k(self):
2476 r"""get_pore_anchored_beads_k(SimulationData self) -> double"""
2477 return _IMP_npctransport.SimulationData_get_pore_anchored_beads_k(self)
2479 def get_static_geometry(self):
2480 r"""get_static_geometry(SimulationData self) -> Geometry"""
2481 return _IMP_npctransport.SimulationData_get_static_geometry(self)
2483 def get_rmf_dump_interval_frames(self):
2484 r"""get_rmf_dump_interval_frames(SimulationData self) -> int"""
2485 return _IMP_npctransport.SimulationData_get_rmf_dump_interval_frames(self)
2487 def get_rmf_file_name(self):
2488 r"""get_rmf_file_name(SimulationData self) -> std::string"""
2489 return _IMP_npctransport.SimulationData_get_rmf_file_name(self)
2491 def set_rmf_file(self, new_name, is_save_restraints_to_rmf=True, is_force_restart=False):
2492 r"""set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True, bool is_force_restart=False)"""
2493 return _IMP_npctransport.SimulationData_set_rmf_file(self, new_name, is_save_restraints_to_rmf, is_force_restart)
2495 def get_version_info(self):
2496 r"""get_version_info(SimulationData self) -> VersionInfo"""
2497 return _IMP_npctransport.SimulationData_get_version_info(self)
2498 __swig_destroy__ = _IMP_npctransport.delete_SimulationData
2501 r"""__str__(SimulationData self) -> std::string"""
2502 return _IMP_npctransport.SimulationData___str__(self)
2505 r"""__repr__(SimulationData self) -> std::string"""
2506 return _IMP_npctransport.SimulationData___repr__(self)
2510 return _object_cast_to_SimulationData(o)
2514 _IMP_npctransport.SimulationData_swigregister(SimulationData)
2516 def get_simulation_data_key():
2517 r"""get_simulation_data_key() -> IMP::WeakObjectKey"""
2518 return _IMP_npctransport.get_simulation_data_key()
2520 def write_geometry(kaps, kap_sites, chains, chain_sites, rs, out):
2521 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)"""
2522 return _IMP_npctransport.write_geometry(kaps, kap_sites, chains, chain_sites, rs, out)
2524 r"""Proxy of C++ IMP::npctransport::ParticleFactory class."""
2526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2527 sd_ = property(_IMP_npctransport.ParticleFactory_sd__get, _IMP_npctransport.ParticleFactory_sd__set, doc=
r"""sd_ : IMP::WeakPointer<(IMP::npctransport::SimulationData)>""")
2528 radius_ = property(_IMP_npctransport.ParticleFactory_radius__get, _IMP_npctransport.ParticleFactory_radius__set, doc=
r"""radius_ : double""")
2529 D_factor_ = property(_IMP_npctransport.ParticleFactory_D_factor__get, _IMP_npctransport.ParticleFactory_D_factor__set, doc=
r"""D_factor_ : double""")
2530 angular_D_factor_ = property(_IMP_npctransport.ParticleFactory_angular_D_factor__get, _IMP_npctransport.ParticleFactory_angular_D_factor__set, doc=
r"""angular_D_factor_ : double""")
2531 color_ = property(_IMP_npctransport.ParticleFactory_color__get, _IMP_npctransport.ParticleFactory_color__set, doc=
r"""color_ : IMP::display::Color""")
2532 type_ = property(_IMP_npctransport.ParticleFactory_type__get, _IMP_npctransport.ParticleFactory_type__set, doc=
r"""type_ : IMP::core::ParticleType""")
2534 def __init__(self, *args):
2535 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"""
2536 _IMP_npctransport.ParticleFactory_swiginit(self, _IMP_npctransport.new_ParticleFactory(*args))
2538 def create(self, *args):
2539 r"""create(ParticleFactory self, std::string name="") -> Particle"""
2540 return _IMP_npctransport.ParticleFactory_create(self, *args)
2542 def get_model(self):
2543 r"""get_model(ParticleFactory self) -> Model"""
2544 return _IMP_npctransport.ParticleFactory_get_model(self)
2546 def get_simulation_data(self):
2547 r"""get_simulation_data(ParticleFactory self) -> SimulationData"""
2548 return _IMP_npctransport.ParticleFactory_get_simulation_data(self)
2550 def get_radius(self):
2551 r"""get_radius(ParticleFactory self) -> double"""
2552 return _IMP_npctransport.ParticleFactory_get_radius(self)
2554 def get_version_info(self):
2555 r"""get_version_info(ParticleFactory self) -> VersionInfo"""
2556 return _IMP_npctransport.ParticleFactory_get_version_info(self)
2557 __swig_destroy__ = _IMP_npctransport.delete_ParticleFactory
2560 r"""__str__(ParticleFactory self) -> std::string"""
2561 return _IMP_npctransport.ParticleFactory___str__(self)
2564 r"""__repr__(ParticleFactory self) -> std::string"""
2565 return _IMP_npctransport.ParticleFactory___repr__(self)
2569 return _object_cast_to_ParticleFactory(o)
2573 _IMP_npctransport.ParticleFactory_swigregister(ParticleFactory)
2575 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesLoadLink class."""
2577 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2579 def __init__(self, fh):
2580 r"""__init__(HierarchyWithSitesLoadLink self, FileConstHandle fh) -> HierarchyWithSitesLoadLink"""
2581 _IMP_npctransport.HierarchyWithSitesLoadLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesLoadLink(fh))
2585 r"""get_name() -> char const *"""
2586 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2589 r"""__str__(HierarchyWithSitesLoadLink self) -> std::string"""
2590 return _IMP_npctransport.HierarchyWithSitesLoadLink___str__(self)
2593 r"""__repr__(HierarchyWithSitesLoadLink self) -> std::string"""
2594 return _IMP_npctransport.HierarchyWithSitesLoadLink___repr__(self)
2598 return _object_cast_to_HierarchyWithSitesLoadLink(o)
2600 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesLoadLink
2603 _IMP_npctransport.HierarchyWithSitesLoadLink_swigregister(HierarchyWithSitesLoadLink)
2605 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesSaveLink class."""
2607 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2609 def __init__(self, fh):
2610 r"""__init__(HierarchyWithSitesSaveLink self, FileHandle fh) -> HierarchyWithSitesSaveLink"""
2611 _IMP_npctransport.HierarchyWithSitesSaveLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesSaveLink(fh))
2615 r"""get_name() -> char const *"""
2616 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2619 r"""__str__(HierarchyWithSitesSaveLink self) -> std::string"""
2620 return _IMP_npctransport.HierarchyWithSitesSaveLink___str__(self)
2623 r"""__repr__(HierarchyWithSitesSaveLink self) -> std::string"""
2624 return _IMP_npctransport.HierarchyWithSitesSaveLink___repr__(self)
2628 return _object_cast_to_HierarchyWithSitesSaveLink(o)
2630 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesSaveLink
2633 _IMP_npctransport.HierarchyWithSitesSaveLink_swigregister(HierarchyWithSitesSaveLink)
2637 add_test_sites(FileHandle fh, ParticleType t, double display_radius, IMP::algebra::Vector3Ds sites)
2638 add_test_sites(FileHandle fh, ParticleType t, IMP::algebra::Sphere3Ds sites)
2640 return _IMP_npctransport.add_test_sites(*args)
2644 add_hierarchies_with_sites(FileHandle fh, IMP::atom::Hierarchies const & hs)
2645 add_hierarchies_with_sites(NodeHandle fh, IMP::atom::Hierarchies const & hs)
2647 return _IMP_npctransport.add_hierarchies_with_sites(*args)
2650 r"""add_hierarchy_with_sites(FileHandle fh, Hierarchy hs)"""
2651 return _IMP_npctransport.add_hierarchy_with_sites(fh, hs)
2654 r"""create_hierarchies_with_sites(FileConstHandle fh, Model m) -> IMP::atom::Hierarchies"""
2655 return _IMP_npctransport.create_hierarchies_with_sites(fh, m)
2658 r"""link_hierarchies_with_sites(FileConstHandle fh, IMP::atom::Hierarchies const & hs)"""
2659 return _IMP_npctransport.link_hierarchies_with_sites(fh, hs)
2661 r"""Proxy of C++ IMP::npctransport::Transporting class."""
2663 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2665 def __init__(self, *args):
2667 __init__(Transporting self) -> Transporting
2668 __init__(Transporting self, Model m, ParticleIndex id) -> Transporting
2669 __init__(Transporting self, _ParticleAdaptor d) -> Transporting
2671 _IMP_npctransport.Transporting_swiginit(self, _IMP_npctransport.new_Transporting(*args))
2673 def show(self, *args):
2674 r"""show(Transporting self, _ostream out=std::cout)"""
2675 return _IMP_npctransport.Transporting_show(self, *args)
2678 def setup_particle(*args):
2680 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
2681 setup_particle(_ParticleAdaptor pa, bool is_last_entry_from_top=False) -> Transporting
2683 return _IMP_npctransport.Transporting_setup_particle(*args)
2686 def get_is_setup(*args):
2688 get_is_setup(_ParticleAdaptor p) -> bool
2689 get_is_setup(Model m, ParticleIndex pi) -> bool
2691 return _IMP_npctransport.Transporting_get_is_setup(*args)
2693 def set_is_last_entry_from_top(self, is_last_entry_from_top):
2694 r"""set_is_last_entry_from_top(Transporting self, bool is_last_entry_from_top)"""
2695 return _IMP_npctransport.Transporting_set_is_last_entry_from_top(self, is_last_entry_from_top)
2697 def get_is_last_entry_from_top(self):
2698 r"""get_is_last_entry_from_top(Transporting self) -> bool"""
2699 return _IMP_npctransport.Transporting_get_is_last_entry_from_top(self)
2702 def get_is_last_entry_from_top_key():
2703 r"""get_is_last_entry_from_top_key() -> IntKey"""
2704 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
2706 def set_last_tracked_z(self, last_tracked_z):
2707 r"""set_last_tracked_z(Transporting self, double last_tracked_z)"""
2708 return _IMP_npctransport.Transporting_set_last_tracked_z(self, last_tracked_z)
2710 def get_last_tracked_z(self):
2711 r"""get_last_tracked_z(Transporting self) -> double"""
2712 return _IMP_npctransport.Transporting_get_last_tracked_z(self)
2715 def get_last_tracked_z_key():
2716 r"""get_last_tracked_z_key() -> FloatKey"""
2717 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
2719 def set_n_entries_bottom(self, n):
2720 r"""set_n_entries_bottom(Transporting self, int n)"""
2721 return _IMP_npctransport.Transporting_set_n_entries_bottom(self, n)
2723 def get_n_entries_bottom(self):
2724 r"""get_n_entries_bottom(Transporting self) -> int"""
2725 return _IMP_npctransport.Transporting_get_n_entries_bottom(self)
2728 def get_n_entries_bottom_key():
2729 r"""get_n_entries_bottom_key() -> IntKey"""
2730 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
2732 def set_n_entries_top(self, n):
2733 r"""set_n_entries_top(Transporting self, int n)"""
2734 return _IMP_npctransport.Transporting_set_n_entries_top(self, n)
2736 def get_n_entries_top(self):
2737 r"""get_n_entries_top(Transporting self) -> int"""
2738 return _IMP_npctransport.Transporting_get_n_entries_top(self)
2741 def get_n_entries_top_key():
2742 r"""get_n_entries_top_key() -> IntKey"""
2743 return _IMP_npctransport.Transporting_get_n_entries_top_key()
2745 def add_attribute(self, *args):
2747 add_attribute(Transporting self, FloatKey k, IMP::Float v, bool opt)
2748 add_attribute(Transporting self, FloatKey a0, IMP::Float a1)
2749 add_attribute(Transporting self, IntKey a0, IMP::Int a1)
2750 add_attribute(Transporting self, FloatsKey a0, IMP::Floats a1)
2751 add_attribute(Transporting self, IntsKey a0, IMP::Ints a1)
2752 add_attribute(Transporting self, StringKey a0, IMP::String a1)
2753 add_attribute(Transporting self, ParticleIndexKey a0, Particle a1)
2754 add_attribute(Transporting self, ObjectKey a0, Object a1)
2755 add_attribute(Transporting self, SparseFloatKey a0, IMP::Float a1)
2756 add_attribute(Transporting self, SparseIntKey a0, IMP::Int a1)
2757 add_attribute(Transporting self, SparseStringKey a0, IMP::String a1)
2758 add_attribute(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2760 return _IMP_npctransport.Transporting_add_attribute(self, *args)
2762 def get_value(self, *args):
2764 get_value(Transporting self, FloatKey a0) -> IMP::Float
2765 get_value(Transporting self, IntKey a0) -> IMP::Int
2766 get_value(Transporting self, FloatsKey a0) -> IMP::Floats
2767 get_value(Transporting self, IntsKey a0) -> IMP::Ints
2768 get_value(Transporting self, StringKey a0) -> IMP::String
2769 get_value(Transporting self, ParticleIndexKey a0) -> Particle
2770 get_value(Transporting self, ObjectKey a0) -> Object
2771 get_value(Transporting self, SparseFloatKey a0) -> IMP::Float
2772 get_value(Transporting self, SparseIntKey a0) -> IMP::Int
2773 get_value(Transporting self, SparseStringKey a0) -> IMP::String
2774 get_value(Transporting self, SparseParticleIndexKey a0) -> ParticleIndex
2776 return _IMP_npctransport.Transporting_get_value(self, *args)
2778 def set_value(self, *args):
2780 set_value(Transporting self, FloatKey a0, IMP::Float a1)
2781 set_value(Transporting self, IntKey a0, IMP::Int a1)
2782 set_value(Transporting self, FloatsKey a0, IMP::Floats a1)
2783 set_value(Transporting self, IntsKey a0, IMP::Ints a1)
2784 set_value(Transporting self, StringKey a0, IMP::String a1)
2785 set_value(Transporting self, ParticleIndexKey a0, Particle a1)
2786 set_value(Transporting self, ObjectKey a0, Object a1)
2787 set_value(Transporting self, SparseFloatKey a0, IMP::Float a1)
2788 set_value(Transporting self, SparseIntKey a0, IMP::Int a1)
2789 set_value(Transporting self, SparseStringKey a0, IMP::String a1)
2790 set_value(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2792 return _IMP_npctransport.Transporting_set_value(self, *args)
2794 def remove_attribute(self, *args):
2796 remove_attribute(Transporting self, FloatKey a0)
2797 remove_attribute(Transporting self, IntKey a0)
2798 remove_attribute(Transporting self, FloatsKey a0)
2799 remove_attribute(Transporting self, IntsKey a0)
2800 remove_attribute(Transporting self, StringKey a0)
2801 remove_attribute(Transporting self, ParticleIndexKey a0)
2802 remove_attribute(Transporting self, ObjectKey a0)
2803 remove_attribute(Transporting self, SparseFloatKey a0)
2804 remove_attribute(Transporting self, SparseIntKey a0)
2805 remove_attribute(Transporting self, SparseStringKey a0)
2806 remove_attribute(Transporting self, SparseParticleIndexKey a0)
2808 return _IMP_npctransport.Transporting_remove_attribute(self, *args)
2810 def has_attribute(self, *args):
2812 has_attribute(Transporting self, FloatKey a0) -> bool
2813 has_attribute(Transporting self, IntKey a0) -> bool
2814 has_attribute(Transporting self, FloatsKey a0) -> bool
2815 has_attribute(Transporting self, IntsKey a0) -> bool
2816 has_attribute(Transporting self, StringKey a0) -> bool
2817 has_attribute(Transporting self, ParticleIndexKey a0) -> bool
2818 has_attribute(Transporting self, ObjectKey a0) -> bool
2819 has_attribute(Transporting self, SparseFloatKey a0) -> bool
2820 has_attribute(Transporting self, SparseIntKey a0) -> bool
2821 has_attribute(Transporting self, SparseStringKey a0) -> bool
2822 has_attribute(Transporting self, SparseParticleIndexKey a0) -> bool
2824 return _IMP_npctransport.Transporting_has_attribute(self, *args)
2826 def get_derivative(self, a0):
2827 r"""get_derivative(Transporting self, FloatKey a0) -> double"""
2828 return _IMP_npctransport.Transporting_get_derivative(self, a0)
2831 r"""get_name(Transporting self) -> std::string"""
2832 return _IMP_npctransport.Transporting_get_name(self)
2834 def clear_caches(self):
2835 r"""clear_caches(Transporting self)"""
2836 return _IMP_npctransport.Transporting_clear_caches(self)
2838 def set_name(self, a0):
2839 r"""set_name(Transporting self, std::string a0)"""
2840 return _IMP_npctransport.Transporting_set_name(self, a0)
2843 r"""set_check_level(Transporting self, IMP::CheckLevel a0)"""
2844 return _IMP_npctransport.Transporting_set_check_level(self, a0)
2846 def add_to_derivative(self, a0, a1, a2):
2847 r"""add_to_derivative(Transporting self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2848 return _IMP_npctransport.Transporting_add_to_derivative(self, a0, a1, a2)
2850 def set_is_optimized(self, a0, a1):
2851 r"""set_is_optimized(Transporting self, FloatKey a0, bool a1)"""
2852 return _IMP_npctransport.Transporting_set_is_optimized(self, a0, a1)
2854 def get_is_optimized(self, a0):
2855 r"""get_is_optimized(Transporting self, FloatKey a0) -> bool"""
2856 return _IMP_npctransport.Transporting_get_is_optimized(self, a0)
2859 r"""get_check_level(Transporting self) -> IMP::CheckLevel"""
2860 return _IMP_npctransport.Transporting_get_check_level(self)
2862 def __eq__(self, *args):
2864 __eq__(Transporting self, Transporting o) -> bool
2865 __eq__(Transporting self, Particle d) -> bool
2867 return _IMP_npctransport.Transporting___eq__(self, *args)
2869 def __ne__(self, *args):
2871 __ne__(Transporting self, Transporting o) -> bool
2872 __ne__(Transporting self, Particle d) -> bool
2874 return _IMP_npctransport.Transporting___ne__(self, *args)
2876 def __le__(self, *args):
2878 __le__(Transporting self, Transporting o) -> bool
2879 __le__(Transporting self, Particle d) -> bool
2881 return _IMP_npctransport.Transporting___le__(self, *args)
2883 def __lt__(self, *args):
2885 __lt__(Transporting self, Transporting o) -> bool
2886 __lt__(Transporting self, Particle d) -> bool
2888 return _IMP_npctransport.Transporting___lt__(self, *args)
2890 def __ge__(self, *args):
2892 __ge__(Transporting self, Transporting o) -> bool
2893 __ge__(Transporting self, Particle d) -> bool
2895 return _IMP_npctransport.Transporting___ge__(self, *args)
2897 def __gt__(self, *args):
2899 __gt__(Transporting self, Transporting o) -> bool
2900 __gt__(Transporting self, Particle d) -> bool
2902 return _IMP_npctransport.Transporting___gt__(self, *args)
2905 r"""__hash__(Transporting self) -> std::size_t"""
2906 return _IMP_npctransport.Transporting___hash__(self)
2909 r"""__str__(Transporting self) -> std::string"""
2910 return _IMP_npctransport.Transporting___str__(self)
2913 r"""__repr__(Transporting self) -> std::string"""
2914 return _IMP_npctransport.Transporting___repr__(self)
2916 def _get_as_binary(self):
2917 r"""_get_as_binary(Transporting self) -> PyObject *"""
2918 return _IMP_npctransport.Transporting__get_as_binary(self)
2920 def _set_from_binary(self, p):
2921 r"""_set_from_binary(Transporting self, PyObject * p)"""
2922 return _IMP_npctransport.Transporting__set_from_binary(self, p)
2924 def __getstate__(self):
2925 p = self._get_as_binary()
2926 if len(self.__dict__) > 1:
2927 d = self.__dict__.copy()
2932 def __setstate__(self, p):
2933 if not hasattr(self,
'this'):
2935 if isinstance(p, tuple):
2937 self.__dict__.update(d)
2938 return self._set_from_binary(p)
2940 __swig_destroy__ = _IMP_npctransport.delete_Transporting
2943 _IMP_npctransport.Transporting_swigregister(Transporting)
2945 def show_ranges(fname):
2946 r"""show_ranges(std::string fname)"""
2947 return _IMP_npctransport.show_ranges(fname)
2949 def assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed):
2950 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"""
2951 return _IMP_npctransport.assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed)
2953 def get_number_of_work_units(configuration_file):
2954 r"""get_number_of_work_units(std::string configuration_file) -> int"""
2955 return _IMP_npctransport.get_number_of_work_units(configuration_file)
2957 r"""Proxy of C++ IMP::npctransport::SlabWithPore class."""
2959 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2961 def __init__(self, *args):
2963 __init__(SlabWithPore self) -> SlabWithPore
2964 __init__(SlabWithPore self, Model m, ParticleIndex id) -> SlabWithPore
2965 __init__(SlabWithPore self, _ParticleAdaptor d) -> SlabWithPore
2967 _IMP_npctransport.SlabWithPore_swiginit(self, _IMP_npctransport.new_SlabWithPore(*args))
2969 def show(self, *args):
2970 r"""show(SlabWithPore self, _ostream out=std::cout)"""
2971 return _IMP_npctransport.SlabWithPore_show(self, *args)
2974 def setup_particle(*args):
2976 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
2977 setup_particle(_ParticleAdaptor pa, double thickness, double pore_radius) -> SlabWithPore
2979 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
2982 def get_is_setup(*args):
2984 get_is_setup(_ParticleAdaptor p) -> bool
2985 get_is_setup(Model m, ParticleIndex pi) -> bool
2987 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
2989 def set_thickness(self, thickness):
2990 r"""set_thickness(SlabWithPore self, double thickness)"""
2991 return _IMP_npctransport.SlabWithPore_set_thickness(self, thickness)
2993 def get_thickness(self):
2994 r"""get_thickness(SlabWithPore self) -> IMP::Float"""
2995 return _IMP_npctransport.SlabWithPore_get_thickness(self)
2997 def get_pore_radius(self):
2998 r"""get_pore_radius(SlabWithPore self) -> IMP::Float"""
2999 return _IMP_npctransport.SlabWithPore_get_pore_radius(self)
3001 def set_pore_radius(self, r):
3002 r"""set_pore_radius(SlabWithPore self, double r)"""
3003 return _IMP_npctransport.SlabWithPore_set_pore_radius(self, r)
3005 def add_to_pore_radius_derivative(self, v, d):
3006 r"""add_to_pore_radius_derivative(SlabWithPore self, double v, DerivativeAccumulator d)"""
3007 return _IMP_npctransport.SlabWithPore_add_to_pore_radius_derivative(self, v, d)
3009 def get_pore_radius_is_optimized(self):
3010 r"""get_pore_radius_is_optimized(SlabWithPore self) -> bool"""
3011 return _IMP_npctransport.SlabWithPore_get_pore_radius_is_optimized(self)
3013 def set_pore_radius_is_optimized(self, tf):
3014 r"""set_pore_radius_is_optimized(SlabWithPore self, bool tf)"""
3015 return _IMP_npctransport.SlabWithPore_set_pore_radius_is_optimized(self, tf)
3018 def get_thickness_key():
3019 r"""get_thickness_key() -> FloatKey"""
3020 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3023 def get_pore_radius_key():
3024 r"""get_pore_radius_key() -> FloatKey"""
3025 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3027 def add_attribute(self, *args):
3029 add_attribute(SlabWithPore self, FloatKey k, IMP::Float v, bool opt)
3030 add_attribute(SlabWithPore self, FloatKey a0, IMP::Float a1)
3031 add_attribute(SlabWithPore self, IntKey a0, IMP::Int a1)
3032 add_attribute(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3033 add_attribute(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3034 add_attribute(SlabWithPore self, StringKey a0, IMP::String a1)
3035 add_attribute(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3036 add_attribute(SlabWithPore self, ObjectKey a0, Object a1)
3037 add_attribute(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3038 add_attribute(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3039 add_attribute(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3040 add_attribute(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3042 return _IMP_npctransport.SlabWithPore_add_attribute(self, *args)
3044 def get_value(self, *args):
3046 get_value(SlabWithPore self, FloatKey a0) -> IMP::Float
3047 get_value(SlabWithPore self, IntKey a0) -> IMP::Int
3048 get_value(SlabWithPore self, FloatsKey a0) -> IMP::Floats
3049 get_value(SlabWithPore self, IntsKey a0) -> IMP::Ints
3050 get_value(SlabWithPore self, StringKey a0) -> IMP::String
3051 get_value(SlabWithPore self, ParticleIndexKey a0) -> Particle
3052 get_value(SlabWithPore self, ObjectKey a0) -> Object
3053 get_value(SlabWithPore self, SparseFloatKey a0) -> IMP::Float
3054 get_value(SlabWithPore self, SparseIntKey a0) -> IMP::Int
3055 get_value(SlabWithPore self, SparseStringKey a0) -> IMP::String
3056 get_value(SlabWithPore self, SparseParticleIndexKey a0) -> ParticleIndex
3058 return _IMP_npctransport.SlabWithPore_get_value(self, *args)
3060 def set_value(self, *args):
3062 set_value(SlabWithPore self, FloatKey a0, IMP::Float a1)
3063 set_value(SlabWithPore self, IntKey a0, IMP::Int a1)
3064 set_value(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3065 set_value(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3066 set_value(SlabWithPore self, StringKey a0, IMP::String a1)
3067 set_value(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3068 set_value(SlabWithPore self, ObjectKey a0, Object a1)
3069 set_value(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3070 set_value(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3071 set_value(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3072 set_value(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3074 return _IMP_npctransport.SlabWithPore_set_value(self, *args)
3076 def remove_attribute(self, *args):
3078 remove_attribute(SlabWithPore self, FloatKey a0)
3079 remove_attribute(SlabWithPore self, IntKey a0)
3080 remove_attribute(SlabWithPore self, FloatsKey a0)
3081 remove_attribute(SlabWithPore self, IntsKey a0)
3082 remove_attribute(SlabWithPore self, StringKey a0)
3083 remove_attribute(SlabWithPore self, ParticleIndexKey a0)
3084 remove_attribute(SlabWithPore self, ObjectKey a0)
3085 remove_attribute(SlabWithPore self, SparseFloatKey a0)
3086 remove_attribute(SlabWithPore self, SparseIntKey a0)
3087 remove_attribute(SlabWithPore self, SparseStringKey a0)
3088 remove_attribute(SlabWithPore self, SparseParticleIndexKey a0)
3090 return _IMP_npctransport.SlabWithPore_remove_attribute(self, *args)
3092 def has_attribute(self, *args):
3094 has_attribute(SlabWithPore self, FloatKey a0) -> bool
3095 has_attribute(SlabWithPore self, IntKey a0) -> bool
3096 has_attribute(SlabWithPore self, FloatsKey a0) -> bool
3097 has_attribute(SlabWithPore self, IntsKey a0) -> bool
3098 has_attribute(SlabWithPore self, StringKey a0) -> bool
3099 has_attribute(SlabWithPore self, ParticleIndexKey a0) -> bool
3100 has_attribute(SlabWithPore self, ObjectKey a0) -> bool
3101 has_attribute(SlabWithPore self, SparseFloatKey a0) -> bool
3102 has_attribute(SlabWithPore self, SparseIntKey a0) -> bool
3103 has_attribute(SlabWithPore self, SparseStringKey a0) -> bool
3104 has_attribute(SlabWithPore self, SparseParticleIndexKey a0) -> bool
3106 return _IMP_npctransport.SlabWithPore_has_attribute(self, *args)
3108 def get_derivative(self, a0):
3109 r"""get_derivative(SlabWithPore self, FloatKey a0) -> double"""
3110 return _IMP_npctransport.SlabWithPore_get_derivative(self, a0)
3113 r"""get_name(SlabWithPore self) -> std::string"""
3114 return _IMP_npctransport.SlabWithPore_get_name(self)
3116 def clear_caches(self):
3117 r"""clear_caches(SlabWithPore self)"""
3118 return _IMP_npctransport.SlabWithPore_clear_caches(self)
3120 def set_name(self, a0):
3121 r"""set_name(SlabWithPore self, std::string a0)"""
3122 return _IMP_npctransport.SlabWithPore_set_name(self, a0)
3125 r"""set_check_level(SlabWithPore self, IMP::CheckLevel a0)"""
3126 return _IMP_npctransport.SlabWithPore_set_check_level(self, a0)
3128 def add_to_derivative(self, a0, a1, a2):
3129 r"""add_to_derivative(SlabWithPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3130 return _IMP_npctransport.SlabWithPore_add_to_derivative(self, a0, a1, a2)
3132 def set_is_optimized(self, a0, a1):
3133 r"""set_is_optimized(SlabWithPore self, FloatKey a0, bool a1)"""
3134 return _IMP_npctransport.SlabWithPore_set_is_optimized(self, a0, a1)
3136 def get_is_optimized(self, a0):
3137 r"""get_is_optimized(SlabWithPore self, FloatKey a0) -> bool"""
3138 return _IMP_npctransport.SlabWithPore_get_is_optimized(self, a0)
3141 r"""get_check_level(SlabWithPore self) -> IMP::CheckLevel"""
3142 return _IMP_npctransport.SlabWithPore_get_check_level(self)
3144 def __eq__(self, *args):
3146 __eq__(SlabWithPore self, SlabWithPore o) -> bool
3147 __eq__(SlabWithPore self, Particle d) -> bool
3149 return _IMP_npctransport.SlabWithPore___eq__(self, *args)
3151 def __ne__(self, *args):
3153 __ne__(SlabWithPore self, SlabWithPore o) -> bool
3154 __ne__(SlabWithPore self, Particle d) -> bool
3156 return _IMP_npctransport.SlabWithPore___ne__(self, *args)
3158 def __le__(self, *args):
3160 __le__(SlabWithPore self, SlabWithPore o) -> bool
3161 __le__(SlabWithPore self, Particle d) -> bool
3163 return _IMP_npctransport.SlabWithPore___le__(self, *args)
3165 def __lt__(self, *args):
3167 __lt__(SlabWithPore self, SlabWithPore o) -> bool
3168 __lt__(SlabWithPore self, Particle d) -> bool
3170 return _IMP_npctransport.SlabWithPore___lt__(self, *args)
3172 def __ge__(self, *args):
3174 __ge__(SlabWithPore self, SlabWithPore o) -> bool
3175 __ge__(SlabWithPore self, Particle d) -> bool
3177 return _IMP_npctransport.SlabWithPore___ge__(self, *args)
3179 def __gt__(self, *args):
3181 __gt__(SlabWithPore self, SlabWithPore o) -> bool
3182 __gt__(SlabWithPore self, Particle d) -> bool
3184 return _IMP_npctransport.SlabWithPore___gt__(self, *args)
3187 r"""__hash__(SlabWithPore self) -> std::size_t"""
3188 return _IMP_npctransport.SlabWithPore___hash__(self)
3191 r"""__str__(SlabWithPore self) -> std::string"""
3192 return _IMP_npctransport.SlabWithPore___str__(self)
3195 r"""__repr__(SlabWithPore self) -> std::string"""
3196 return _IMP_npctransport.SlabWithPore___repr__(self)
3198 def _get_as_binary(self):
3199 r"""_get_as_binary(SlabWithPore self) -> PyObject *"""
3200 return _IMP_npctransport.SlabWithPore__get_as_binary(self)
3202 def _set_from_binary(self, p):
3203 r"""_set_from_binary(SlabWithPore self, PyObject * p)"""
3204 return _IMP_npctransport.SlabWithPore__set_from_binary(self, p)
3206 def __getstate__(self):
3207 p = self._get_as_binary()
3208 if len(self.__dict__) > 1:
3209 d = self.__dict__.copy()
3214 def __setstate__(self, p):
3215 if not hasattr(self,
'this'):
3217 if isinstance(p, tuple):
3219 self.__dict__.update(d)
3220 return self._set_from_binary(p)
3222 __swig_destroy__ = _IMP_npctransport.delete_SlabWithPore
3225 _IMP_npctransport.SlabWithPore_swigregister(SlabWithPore)
3226 class SlabWithCylindricalPore(SlabWithPore):
3227 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPore class."""
3229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3231 def __init__(self, *args):
3233 __init__(SlabWithCylindricalPore self) -> SlabWithCylindricalPore
3234 __init__(SlabWithCylindricalPore self, Model m, ParticleIndex id) -> SlabWithCylindricalPore
3235 __init__(SlabWithCylindricalPore self, _ParticleAdaptor d) -> SlabWithCylindricalPore
3237 _IMP_npctransport.SlabWithCylindricalPore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPore(*args))
3239 def show(self, *args):
3240 r"""show(SlabWithCylindricalPore self, _ostream out=std::cout)"""
3241 return _IMP_npctransport.SlabWithCylindricalPore_show(self, *args)
3244 def setup_particle(*args):
3246 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3247 setup_particle(_ParticleAdaptor pa, double thickness, double radius) -> SlabWithCylindricalPore
3249 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3252 def get_is_setup(*args):
3254 get_is_setup(_ParticleAdaptor p) -> bool
3255 get_is_setup(Model m, ParticleIndex pi) -> bool
3257 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3260 def get_cylindrical_pore_key():
3261 r"""get_cylindrical_pore_key() -> IntKey"""
3262 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3264 def add_attribute(self, *args):
3266 add_attribute(SlabWithCylindricalPore self, FloatKey k, IMP::Float v, bool opt)
3267 add_attribute(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3268 add_attribute(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3269 add_attribute(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3270 add_attribute(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3271 add_attribute(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3272 add_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3273 add_attribute(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3274 add_attribute(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3275 add_attribute(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3276 add_attribute(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3277 add_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3279 return _IMP_npctransport.SlabWithCylindricalPore_add_attribute(self, *args)
3281 def get_value(self, *args):
3283 get_value(SlabWithCylindricalPore self, FloatKey a0) -> IMP::Float
3284 get_value(SlabWithCylindricalPore self, IntKey a0) -> IMP::Int
3285 get_value(SlabWithCylindricalPore self, FloatsKey a0) -> IMP::Floats
3286 get_value(SlabWithCylindricalPore self, IntsKey a0) -> IMP::Ints
3287 get_value(SlabWithCylindricalPore self, StringKey a0) -> IMP::String
3288 get_value(SlabWithCylindricalPore self, ParticleIndexKey a0) -> Particle
3289 get_value(SlabWithCylindricalPore self, ObjectKey a0) -> Object
3290 get_value(SlabWithCylindricalPore self, SparseFloatKey a0) -> IMP::Float
3291 get_value(SlabWithCylindricalPore self, SparseIntKey a0) -> IMP::Int
3292 get_value(SlabWithCylindricalPore self, SparseStringKey a0) -> IMP::String
3293 get_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3295 return _IMP_npctransport.SlabWithCylindricalPore_get_value(self, *args)
3297 def set_value(self, *args):
3299 set_value(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3300 set_value(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3301 set_value(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3302 set_value(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3303 set_value(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3304 set_value(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3305 set_value(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3306 set_value(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3307 set_value(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3308 set_value(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3309 set_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3311 return _IMP_npctransport.SlabWithCylindricalPore_set_value(self, *args)
3313 def remove_attribute(self, *args):
3315 remove_attribute(SlabWithCylindricalPore self, FloatKey a0)
3316 remove_attribute(SlabWithCylindricalPore self, IntKey a0)
3317 remove_attribute(SlabWithCylindricalPore self, FloatsKey a0)
3318 remove_attribute(SlabWithCylindricalPore self, IntsKey a0)
3319 remove_attribute(SlabWithCylindricalPore self, StringKey a0)
3320 remove_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0)
3321 remove_attribute(SlabWithCylindricalPore self, ObjectKey a0)
3322 remove_attribute(SlabWithCylindricalPore self, SparseFloatKey a0)
3323 remove_attribute(SlabWithCylindricalPore self, SparseIntKey a0)
3324 remove_attribute(SlabWithCylindricalPore self, SparseStringKey a0)
3325 remove_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0)
3327 return _IMP_npctransport.SlabWithCylindricalPore_remove_attribute(self, *args)
3329 def has_attribute(self, *args):
3331 has_attribute(SlabWithCylindricalPore self, FloatKey a0) -> bool
3332 has_attribute(SlabWithCylindricalPore self, IntKey a0) -> bool
3333 has_attribute(SlabWithCylindricalPore self, FloatsKey a0) -> bool
3334 has_attribute(SlabWithCylindricalPore self, IntsKey a0) -> bool
3335 has_attribute(SlabWithCylindricalPore self, StringKey a0) -> bool
3336 has_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0) -> bool
3337 has_attribute(SlabWithCylindricalPore self, ObjectKey a0) -> bool
3338 has_attribute(SlabWithCylindricalPore self, SparseFloatKey a0) -> bool
3339 has_attribute(SlabWithCylindricalPore self, SparseIntKey a0) -> bool
3340 has_attribute(SlabWithCylindricalPore self, SparseStringKey a0) -> bool
3341 has_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> bool
3343 return _IMP_npctransport.SlabWithCylindricalPore_has_attribute(self, *args)
3345 def get_derivative(self, a0):
3346 r"""get_derivative(SlabWithCylindricalPore self, FloatKey a0) -> double"""
3347 return _IMP_npctransport.SlabWithCylindricalPore_get_derivative(self, a0)
3350 r"""get_name(SlabWithCylindricalPore self) -> std::string"""
3351 return _IMP_npctransport.SlabWithCylindricalPore_get_name(self)
3353 def clear_caches(self):
3354 r"""clear_caches(SlabWithCylindricalPore self)"""
3355 return _IMP_npctransport.SlabWithCylindricalPore_clear_caches(self)
3357 def set_name(self, a0):
3358 r"""set_name(SlabWithCylindricalPore self, std::string a0)"""
3359 return _IMP_npctransport.SlabWithCylindricalPore_set_name(self, a0)
3362 r"""set_check_level(SlabWithCylindricalPore self, IMP::CheckLevel a0)"""
3363 return _IMP_npctransport.SlabWithCylindricalPore_set_check_level(self, a0)
3365 def add_to_derivative(self, a0, a1, a2):
3366 r"""add_to_derivative(SlabWithCylindricalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3367 return _IMP_npctransport.SlabWithCylindricalPore_add_to_derivative(self, a0, a1, a2)
3369 def set_is_optimized(self, a0, a1):
3370 r"""set_is_optimized(SlabWithCylindricalPore self, FloatKey a0, bool a1)"""
3371 return _IMP_npctransport.SlabWithCylindricalPore_set_is_optimized(self, a0, a1)
3373 def get_is_optimized(self, a0):
3374 r"""get_is_optimized(SlabWithCylindricalPore self, FloatKey a0) -> bool"""
3375 return _IMP_npctransport.SlabWithCylindricalPore_get_is_optimized(self, a0)
3378 r"""get_check_level(SlabWithCylindricalPore self) -> IMP::CheckLevel"""
3379 return _IMP_npctransport.SlabWithCylindricalPore_get_check_level(self)
3381 def __eq__(self, *args):
3383 __eq__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3384 __eq__(SlabWithCylindricalPore self, Particle d) -> bool
3386 return _IMP_npctransport.SlabWithCylindricalPore___eq__(self, *args)
3388 def __ne__(self, *args):
3390 __ne__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3391 __ne__(SlabWithCylindricalPore self, Particle d) -> bool
3393 return _IMP_npctransport.SlabWithCylindricalPore___ne__(self, *args)
3395 def __le__(self, *args):
3397 __le__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3398 __le__(SlabWithCylindricalPore self, Particle d) -> bool
3400 return _IMP_npctransport.SlabWithCylindricalPore___le__(self, *args)
3402 def __lt__(self, *args):
3404 __lt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3405 __lt__(SlabWithCylindricalPore self, Particle d) -> bool
3407 return _IMP_npctransport.SlabWithCylindricalPore___lt__(self, *args)
3409 def __ge__(self, *args):
3411 __ge__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3412 __ge__(SlabWithCylindricalPore self, Particle d) -> bool
3414 return _IMP_npctransport.SlabWithCylindricalPore___ge__(self, *args)
3416 def __gt__(self, *args):
3418 __gt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3419 __gt__(SlabWithCylindricalPore self, Particle d) -> bool
3421 return _IMP_npctransport.SlabWithCylindricalPore___gt__(self, *args)
3424 r"""__hash__(SlabWithCylindricalPore self) -> std::size_t"""
3425 return _IMP_npctransport.SlabWithCylindricalPore___hash__(self)
3428 r"""__str__(SlabWithCylindricalPore self) -> std::string"""
3429 return _IMP_npctransport.SlabWithCylindricalPore___str__(self)
3432 r"""__repr__(SlabWithCylindricalPore self) -> std::string"""
3433 return _IMP_npctransport.SlabWithCylindricalPore___repr__(self)
3435 def _get_as_binary(self):
3436 r"""_get_as_binary(SlabWithCylindricalPore self) -> PyObject *"""
3437 return _IMP_npctransport.SlabWithCylindricalPore__get_as_binary(self)
3439 def _set_from_binary(self, p):
3440 r"""_set_from_binary(SlabWithCylindricalPore self, PyObject * p)"""
3441 return _IMP_npctransport.SlabWithCylindricalPore__set_from_binary(self, p)
3443 def __getstate__(self):
3444 p = self._get_as_binary()
3445 if len(self.__dict__) > 1:
3446 d = self.__dict__.copy()
3451 def __setstate__(self, p):
3452 if not hasattr(self,
'this'):
3454 if isinstance(p, tuple):
3456 self.__dict__.update(d)
3457 return self._set_from_binary(p)
3459 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPore
3462 _IMP_npctransport.SlabWithCylindricalPore_swigregister(SlabWithCylindricalPore)
3463 class SlabWithToroidalPore(SlabWithPore):
3464 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPore class."""
3466 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3468 def __init__(self, *args):
3470 __init__(SlabWithToroidalPore self) -> SlabWithToroidalPore
3471 __init__(SlabWithToroidalPore self, Model m, ParticleIndex id) -> SlabWithToroidalPore
3472 __init__(SlabWithToroidalPore self, _ParticleAdaptor d) -> SlabWithToroidalPore
3474 _IMP_npctransport.SlabWithToroidalPore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPore(*args))
3476 def show(self, *args):
3477 r"""show(SlabWithToroidalPore self, _ostream out=std::cout)"""
3478 return _IMP_npctransport.SlabWithToroidalPore_show(self, *args)
3481 def setup_particle(*args):
3483 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3484 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius) -> SlabWithToroidalPore
3485 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3486 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3488 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3491 def get_is_setup(*args):
3493 get_is_setup(_ParticleAdaptor p) -> bool
3494 get_is_setup(Model m, ParticleIndex pi) -> bool
3496 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3498 def set_minor_radius_h2v_aspect_ratio(self, aspect_ratio):
3499 r"""set_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self, double aspect_ratio)"""
3500 return _IMP_npctransport.SlabWithToroidalPore_set_minor_radius_h2v_aspect_ratio(self, aspect_ratio)
3502 def get_minor_radius_h2v_aspect_ratio(self):
3503 r"""get_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self) -> double"""
3504 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio(self)
3506 def get_vertical_minor_radius(self):
3507 r"""get_vertical_minor_radius(SlabWithToroidalPore self) -> double"""
3508 return _IMP_npctransport.SlabWithToroidalPore_get_vertical_minor_radius(self)
3510 def set_vertical_minor_radius(self, rv):
3511 r"""set_vertical_minor_radius(SlabWithToroidalPore self, double rv)"""
3512 return _IMP_npctransport.SlabWithToroidalPore_set_vertical_minor_radius(self, rv)
3514 def get_horizontal_minor_radius(self):
3515 r"""get_horizontal_minor_radius(SlabWithToroidalPore self) -> double"""
3516 return _IMP_npctransport.SlabWithToroidalPore_get_horizontal_minor_radius(self)
3518 def set_horizontal_minor_radius(self, rh):
3519 r"""set_horizontal_minor_radius(SlabWithToroidalPore self, double rh)"""
3520 return _IMP_npctransport.SlabWithToroidalPore_set_horizontal_minor_radius(self, rh)
3523 def get_minor_radius_h2v_aspect_ratio_key():
3524 r"""get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3525 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3528 def get_toroidal_pore_key():
3529 r"""get_toroidal_pore_key() -> IntKey"""
3530 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3532 def add_attribute(self, *args):
3534 add_attribute(SlabWithToroidalPore self, FloatKey k, IMP::Float v, bool opt)
3535 add_attribute(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3536 add_attribute(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3537 add_attribute(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3538 add_attribute(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3539 add_attribute(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3540 add_attribute(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3541 add_attribute(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3542 add_attribute(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3543 add_attribute(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3544 add_attribute(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3545 add_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3547 return _IMP_npctransport.SlabWithToroidalPore_add_attribute(self, *args)
3549 def get_value(self, *args):
3551 get_value(SlabWithToroidalPore self, FloatKey a0) -> IMP::Float
3552 get_value(SlabWithToroidalPore self, IntKey a0) -> IMP::Int
3553 get_value(SlabWithToroidalPore self, FloatsKey a0) -> IMP::Floats
3554 get_value(SlabWithToroidalPore self, IntsKey a0) -> IMP::Ints
3555 get_value(SlabWithToroidalPore self, StringKey a0) -> IMP::String
3556 get_value(SlabWithToroidalPore self, ParticleIndexKey a0) -> Particle
3557 get_value(SlabWithToroidalPore self, ObjectKey a0) -> Object
3558 get_value(SlabWithToroidalPore self, SparseFloatKey a0) -> IMP::Float
3559 get_value(SlabWithToroidalPore self, SparseIntKey a0) -> IMP::Int
3560 get_value(SlabWithToroidalPore self, SparseStringKey a0) -> IMP::String
3561 get_value(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3563 return _IMP_npctransport.SlabWithToroidalPore_get_value(self, *args)
3565 def set_value(self, *args):
3567 set_value(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3568 set_value(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3569 set_value(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3570 set_value(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3571 set_value(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3572 set_value(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3573 set_value(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3574 set_value(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3575 set_value(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3576 set_value(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3577 set_value(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3579 return _IMP_npctransport.SlabWithToroidalPore_set_value(self, *args)
3581 def remove_attribute(self, *args):
3583 remove_attribute(SlabWithToroidalPore self, FloatKey a0)
3584 remove_attribute(SlabWithToroidalPore self, IntKey a0)
3585 remove_attribute(SlabWithToroidalPore self, FloatsKey a0)
3586 remove_attribute(SlabWithToroidalPore self, IntsKey a0)
3587 remove_attribute(SlabWithToroidalPore self, StringKey a0)
3588 remove_attribute(SlabWithToroidalPore self, ParticleIndexKey a0)
3589 remove_attribute(SlabWithToroidalPore self, ObjectKey a0)
3590 remove_attribute(SlabWithToroidalPore self, SparseFloatKey a0)
3591 remove_attribute(SlabWithToroidalPore self, SparseIntKey a0)
3592 remove_attribute(SlabWithToroidalPore self, SparseStringKey a0)
3593 remove_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0)
3595 return _IMP_npctransport.SlabWithToroidalPore_remove_attribute(self, *args)
3597 def has_attribute(self, *args):
3599 has_attribute(SlabWithToroidalPore self, FloatKey a0) -> bool
3600 has_attribute(SlabWithToroidalPore self, IntKey a0) -> bool
3601 has_attribute(SlabWithToroidalPore self, FloatsKey a0) -> bool
3602 has_attribute(SlabWithToroidalPore self, IntsKey a0) -> bool
3603 has_attribute(SlabWithToroidalPore self, StringKey a0) -> bool
3604 has_attribute(SlabWithToroidalPore self, ParticleIndexKey a0) -> bool
3605 has_attribute(SlabWithToroidalPore self, ObjectKey a0) -> bool
3606 has_attribute(SlabWithToroidalPore self, SparseFloatKey a0) -> bool
3607 has_attribute(SlabWithToroidalPore self, SparseIntKey a0) -> bool
3608 has_attribute(SlabWithToroidalPore self, SparseStringKey a0) -> bool
3609 has_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> bool
3611 return _IMP_npctransport.SlabWithToroidalPore_has_attribute(self, *args)
3613 def get_derivative(self, a0):
3614 r"""get_derivative(SlabWithToroidalPore self, FloatKey a0) -> double"""
3615 return _IMP_npctransport.SlabWithToroidalPore_get_derivative(self, a0)
3618 r"""get_name(SlabWithToroidalPore self) -> std::string"""
3619 return _IMP_npctransport.SlabWithToroidalPore_get_name(self)
3621 def clear_caches(self):
3622 r"""clear_caches(SlabWithToroidalPore self)"""
3623 return _IMP_npctransport.SlabWithToroidalPore_clear_caches(self)
3625 def set_name(self, a0):
3626 r"""set_name(SlabWithToroidalPore self, std::string a0)"""
3627 return _IMP_npctransport.SlabWithToroidalPore_set_name(self, a0)
3630 r"""set_check_level(SlabWithToroidalPore self, IMP::CheckLevel a0)"""
3631 return _IMP_npctransport.SlabWithToroidalPore_set_check_level(self, a0)
3633 def add_to_derivative(self, a0, a1, a2):
3634 r"""add_to_derivative(SlabWithToroidalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3635 return _IMP_npctransport.SlabWithToroidalPore_add_to_derivative(self, a0, a1, a2)
3637 def set_is_optimized(self, a0, a1):
3638 r"""set_is_optimized(SlabWithToroidalPore self, FloatKey a0, bool a1)"""
3639 return _IMP_npctransport.SlabWithToroidalPore_set_is_optimized(self, a0, a1)
3641 def get_is_optimized(self, a0):
3642 r"""get_is_optimized(SlabWithToroidalPore self, FloatKey a0) -> bool"""
3643 return _IMP_npctransport.SlabWithToroidalPore_get_is_optimized(self, a0)
3646 r"""get_check_level(SlabWithToroidalPore self) -> IMP::CheckLevel"""
3647 return _IMP_npctransport.SlabWithToroidalPore_get_check_level(self)
3649 def __eq__(self, *args):
3651 __eq__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3652 __eq__(SlabWithToroidalPore self, Particle d) -> bool
3654 return _IMP_npctransport.SlabWithToroidalPore___eq__(self, *args)
3656 def __ne__(self, *args):
3658 __ne__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3659 __ne__(SlabWithToroidalPore self, Particle d) -> bool
3661 return _IMP_npctransport.SlabWithToroidalPore___ne__(self, *args)
3663 def __le__(self, *args):
3665 __le__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3666 __le__(SlabWithToroidalPore self, Particle d) -> bool
3668 return _IMP_npctransport.SlabWithToroidalPore___le__(self, *args)
3670 def __lt__(self, *args):
3672 __lt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3673 __lt__(SlabWithToroidalPore self, Particle d) -> bool
3675 return _IMP_npctransport.SlabWithToroidalPore___lt__(self, *args)
3677 def __ge__(self, *args):
3679 __ge__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3680 __ge__(SlabWithToroidalPore self, Particle d) -> bool
3682 return _IMP_npctransport.SlabWithToroidalPore___ge__(self, *args)
3684 def __gt__(self, *args):
3686 __gt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3687 __gt__(SlabWithToroidalPore self, Particle d) -> bool
3689 return _IMP_npctransport.SlabWithToroidalPore___gt__(self, *args)
3692 r"""__hash__(SlabWithToroidalPore self) -> std::size_t"""
3693 return _IMP_npctransport.SlabWithToroidalPore___hash__(self)
3696 r"""__str__(SlabWithToroidalPore self) -> std::string"""
3697 return _IMP_npctransport.SlabWithToroidalPore___str__(self)
3700 r"""__repr__(SlabWithToroidalPore self) -> std::string"""
3701 return _IMP_npctransport.SlabWithToroidalPore___repr__(self)
3703 def _get_as_binary(self):
3704 r"""_get_as_binary(SlabWithToroidalPore self) -> PyObject *"""
3705 return _IMP_npctransport.SlabWithToroidalPore__get_as_binary(self)
3707 def _set_from_binary(self, p):
3708 r"""_set_from_binary(SlabWithToroidalPore self, PyObject * p)"""
3709 return _IMP_npctransport.SlabWithToroidalPore__set_from_binary(self, p)
3711 def __getstate__(self):
3712 p = self._get_as_binary()
3713 if len(self.__dict__) > 1:
3714 d = self.__dict__.copy()
3719 def __setstate__(self, p):
3720 if not hasattr(self,
'this'):
3722 if isinstance(p, tuple):
3724 self.__dict__.update(d)
3725 return self._set_from_binary(p)
3727 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPore
3730 _IMP_npctransport.SlabWithToroidalPore_swigregister(SlabWithToroidalPore)
3732 def __lshift__(*args):
3734 __lshift__(_ostream out, RelaxingSpring n) -> _ostream
3735 __lshift__(_ostream out, Transporting n) -> _ostream
3736 __lshift__(_ostream out, SlabWithPore n) -> _ostream
3737 __lshift__(_ostream out, SlabWithCylindricalPore n) -> _ostream
3738 __lshift__(_ostream out, SlabWithToroidalPore n) -> _ostream
3740 return _IMP_npctransport.__lshift__(*args)
3742 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPorePairScore class."""
3744 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3746 def __init__(self, k):
3747 r"""__init__(SlabWithCylindricalPorePairScore self, double k) -> SlabWithCylindricalPorePairScore"""
3748 _IMP_npctransport.SlabWithCylindricalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPorePairScore(k))
3750 def get_displacement_direction(self, slab, v):
3751 r"""get_displacement_direction(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> Vector3D"""
3752 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_direction(self, slab, v)
3754 def get_displacement_magnitude(self, slab, v):
3755 r"""get_displacement_magnitude(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> double"""
3756 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_magnitude(self, slab, v)
3758 def do_get_inputs(self, m, pis):
3759 r"""do_get_inputs(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3760 return _IMP_npctransport.SlabWithCylindricalPorePairScore_do_get_inputs(self, m, pis)
3762 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3763 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"""
3764 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3766 def evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3767 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"""
3768 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked)
3770 def get_version_info(self):
3771 r"""get_version_info(SlabWithCylindricalPorePairScore self) -> VersionInfo"""
3772 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_version_info(self)
3773 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPorePairScore
3776 r"""__str__(SlabWithCylindricalPorePairScore self) -> std::string"""
3777 return _IMP_npctransport.SlabWithCylindricalPorePairScore___str__(self)
3780 r"""__repr__(SlabWithCylindricalPorePairScore self) -> std::string"""
3781 return _IMP_npctransport.SlabWithCylindricalPorePairScore___repr__(self)
3785 return _object_cast_to_SlabWithCylindricalPorePairScore(o)
3789 _IMP_npctransport.SlabWithCylindricalPorePairScore_swigregister(SlabWithCylindricalPorePairScore)
3791 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPorePairScore class."""
3793 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3795 def __init__(self, k):
3796 r"""__init__(SlabWithToroidalPorePairScore self, double k) -> SlabWithToroidalPorePairScore"""
3797 _IMP_npctransport.SlabWithToroidalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPorePairScore(k))
3799 def do_get_inputs(self, m, pis):
3800 r"""do_get_inputs(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3801 return _IMP_npctransport.SlabWithToroidalPorePairScore_do_get_inputs(self, m, pis)
3803 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3804 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"""
3805 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3807 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3808 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"""
3809 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3811 def get_version_info(self):
3812 r"""get_version_info(SlabWithToroidalPorePairScore self) -> VersionInfo"""
3813 return _IMP_npctransport.SlabWithToroidalPorePairScore_get_version_info(self)
3814 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPorePairScore
3817 r"""__str__(SlabWithToroidalPorePairScore self) -> std::string"""
3818 return _IMP_npctransport.SlabWithToroidalPorePairScore___str__(self)
3821 r"""__repr__(SlabWithToroidalPorePairScore self) -> std::string"""
3822 return _IMP_npctransport.SlabWithToroidalPorePairScore___repr__(self)
3826 return _object_cast_to_SlabWithToroidalPorePairScore(o)
3830 _IMP_npctransport.SlabWithToroidalPorePairScore_swigregister(SlabWithToroidalPorePairScore)
3832 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreWireGeometry class."""
3834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3836 def __init__(self, height, radius, length):
3837 r"""__init__(SlabWithCylindricalPoreWireGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreWireGeometry"""
3838 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreWireGeometry(height, radius, length))
3840 def get_version_info(self):
3841 r"""get_version_info(SlabWithCylindricalPoreWireGeometry self) -> VersionInfo"""
3842 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_get_version_info(self)
3843 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreWireGeometry
3846 r"""__str__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3847 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___str__(self)
3850 r"""__repr__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3851 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___repr__(self)
3855 return _object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
3859 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swigregister(SlabWithCylindricalPoreWireGeometry)
3861 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry class."""
3863 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3865 def __init__(self, height, radius, length):
3866 r"""__init__(SlabWithCylindricalPoreSurfaceGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreSurfaceGeometry"""
3867 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreSurfaceGeometry(height, radius, length))
3870 r"""__str__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3871 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___str__(self)
3874 r"""__repr__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3875 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___repr__(self)
3879 return _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
3881 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreSurfaceGeometry
3884 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swigregister(SlabWithCylindricalPoreSurfaceGeometry)
3886 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPoreWireGeometry class."""
3888 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3890 def __init__(self, *args):
3892 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double horizontal_semiaxis, double slab_length) -> SlabWithToroidalPoreWireGeometry
3893 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double slab_length) -> SlabWithToroidalPoreWireGeometry
3895 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPoreWireGeometry(*args))
3897 def get_version_info(self):
3898 r"""get_version_info(SlabWithToroidalPoreWireGeometry self) -> VersionInfo"""
3899 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry_get_version_info(self)
3900 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPoreWireGeometry
3903 r"""__str__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3904 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___str__(self)
3907 r"""__repr__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3908 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___repr__(self)
3912 return _object_cast_to_SlabWithToroidalPoreWireGeometry(o)
3916 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swigregister(SlabWithToroidalPoreWireGeometry)
3918 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< IMP::core::Harmonic > class."""
3920 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3921 __repr__ = _swig_repr
3923 def __init__(self, f, k):
3924 r"""__init__(_GenericAttributeSingletonScoreForPoreRadus self, Harmonic f, FloatKey k) -> _GenericAttributeSingletonScoreForPoreRadus"""
3925 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swiginit(self, _IMP_npctransport.new__GenericAttributeSingletonScoreForPoreRadus(f, k))
3927 def do_get_inputs(self, m, pis):
3928 r"""do_get_inputs(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3929 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_do_get_inputs(self, m, pis)
3931 def get_unary_function(self):
3932 r"""get_unary_function(_GenericAttributeSingletonScoreForPoreRadus self) -> Harmonic"""
3933 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_unary_function(self)
3936 r"""get_key(_GenericAttributeSingletonScoreForPoreRadus self) -> FloatKey"""
3937 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_key(self)
3939 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3940 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"""
3941 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3943 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3944 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"""
3945 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3947 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3948 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"""
3949 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3951 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3952 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"""
3953 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3955 def get_version_info(self):
3956 r"""get_version_info(_GenericAttributeSingletonScoreForPoreRadus self) -> VersionInfo"""
3957 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_version_info(self)
3958 __swig_destroy__ = _IMP_npctransport.delete__GenericAttributeSingletonScoreForPoreRadus
3961 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swigregister(_GenericAttributeSingletonScoreForPoreRadus)
3962 class PoreRadiusSingletonScore(_GenericAttributeSingletonScoreForPoreRadus):
3963 r"""Proxy of C++ IMP::npctransport::PoreRadiusSingletonScore class."""
3965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3967 def __init__(self, mean, k):
3968 r"""__init__(PoreRadiusSingletonScore self, IMP::Float mean, IMP::Float k) -> PoreRadiusSingletonScore"""
3969 _IMP_npctransport.PoreRadiusSingletonScore_swiginit(self, _IMP_npctransport.new_PoreRadiusSingletonScore(mean, k))
3972 r"""set_k(PoreRadiusSingletonScore self, double k)"""
3973 return _IMP_npctransport.PoreRadiusSingletonScore_set_k(self, k)
3975 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3976 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"""
3977 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3979 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3980 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"""
3981 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3983 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3984 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"""
3985 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3987 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3988 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"""
3989 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3990 __swig_destroy__ = _IMP_npctransport.delete_PoreRadiusSingletonScore
3993 r"""__str__(PoreRadiusSingletonScore self) -> std::string"""
3994 return _IMP_npctransport.PoreRadiusSingletonScore___str__(self)
3997 r"""__repr__(PoreRadiusSingletonScore self) -> std::string"""
3998 return _IMP_npctransport.PoreRadiusSingletonScore___repr__(self)
4002 return _object_cast_to_PoreRadiusSingletonScore(o)
4006 _IMP_npctransport.PoreRadiusSingletonScore_swigregister(PoreRadiusSingletonScore)
4008 r"""Proxy of C++ IMP::npctransport::ExcludeZRangeSingletonScore class."""
4010 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4012 def __init__(self, bottom, top, k):
4013 r"""__init__(ExcludeZRangeSingletonScore self, double bottom, double top, double k) -> ExcludeZRangeSingletonScore"""
4014 _IMP_npctransport.ExcludeZRangeSingletonScore_swiginit(self, _IMP_npctransport.new_ExcludeZRangeSingletonScore(bottom, top, k))
4016 def get_bottom_z(self):
4017 r"""get_bottom_z(ExcludeZRangeSingletonScore self) -> double"""
4018 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_bottom_z(self)
4020 def get_top_z(self):
4021 r"""get_top_z(ExcludeZRangeSingletonScore self) -> double"""
4022 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_top_z(self)
4025 r"""get_k(ExcludeZRangeSingletonScore self) -> double"""
4026 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_k(self)
4028 def do_get_inputs(self, m, pis):
4029 r"""do_get_inputs(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4030 return _IMP_npctransport.ExcludeZRangeSingletonScore_do_get_inputs(self, m, pis)
4032 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4033 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"""
4034 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4036 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4037 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"""
4038 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4040 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4041 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"""
4042 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4044 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4045 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"""
4046 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4048 def get_version_info(self):
4049 r"""get_version_info(ExcludeZRangeSingletonScore self) -> VersionInfo"""
4050 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_version_info(self)
4051 __swig_destroy__ = _IMP_npctransport.delete_ExcludeZRangeSingletonScore
4054 r"""__str__(ExcludeZRangeSingletonScore self) -> std::string"""
4055 return _IMP_npctransport.ExcludeZRangeSingletonScore___str__(self)
4058 r"""__repr__(ExcludeZRangeSingletonScore self) -> std::string"""
4059 return _IMP_npctransport.ExcludeZRangeSingletonScore___repr__(self)
4063 return _object_cast_to_ExcludeZRangeSingletonScore(o)
4067 _IMP_npctransport.ExcludeZRangeSingletonScore_swigregister(ExcludeZRangeSingletonScore)
4069 r"""Proxy of C++ IMP::npctransport::ZBiasSingletonScore class."""
4071 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4073 def __init__(self, *args):
4074 r"""__init__(ZBiasSingletonScore self, double k, double max_r=HALF_SQRT_MAX_DOUBLE, double z=std::numeric_limits< double >::min()) -> ZBiasSingletonScore"""
4075 _IMP_npctransport.ZBiasSingletonScore_swiginit(self, _IMP_npctransport.new_ZBiasSingletonScore(*args))
4078 r"""get_k(ZBiasSingletonScore self) -> double"""
4079 return _IMP_npctransport.ZBiasSingletonScore_get_k(self)
4081 def evaluate_deriv(self, d):
4082 r"""evaluate_deriv(ZBiasSingletonScore self, XYZR d) -> std::pair< double,IMP::algebra::Vector3D >"""
4083 return _IMP_npctransport.ZBiasSingletonScore_evaluate_deriv(self, d)
4085 def do_get_inputs(self, m, pis):
4086 r"""do_get_inputs(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4087 return _IMP_npctransport.ZBiasSingletonScore_do_get_inputs(self, m, pis)
4089 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4090 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"""
4091 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4093 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4094 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"""
4095 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4097 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4098 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"""
4099 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4101 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4102 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"""
4103 return _IMP_npctransport.ZBiasSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4105 def get_version_info(self):
4106 r"""get_version_info(ZBiasSingletonScore self) -> VersionInfo"""
4107 return _IMP_npctransport.ZBiasSingletonScore_get_version_info(self)
4108 __swig_destroy__ = _IMP_npctransport.delete_ZBiasSingletonScore
4111 r"""__str__(ZBiasSingletonScore self) -> std::string"""
4112 return _IMP_npctransport.ZBiasSingletonScore___str__(self)
4115 r"""__repr__(ZBiasSingletonScore self) -> std::string"""
4116 return _IMP_npctransport.ZBiasSingletonScore___repr__(self)
4120 return _object_cast_to_ZBiasSingletonScore(o)
4124 _IMP_npctransport.ZBiasSingletonScore_swigregister(ZBiasSingletonScore)
4126 r"""Proxy of C++ IMP::npctransport::BodyStatisticsOptimizerState class."""
4128 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4130 def __init__(self, p, statistics_manager=None, periodicity=1):
4131 r"""__init__(BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None, unsigned int periodicity=1) -> BodyStatisticsOptimizerState"""
4132 _IMP_npctransport.BodyStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BodyStatisticsOptimizerState(p, statistics_manager, periodicity))
4134 def get_correlation_time(self):
4135 r"""get_correlation_time(BodyStatisticsOptimizerState self) -> double"""
4136 return _IMP_npctransport.BodyStatisticsOptimizerState_get_correlation_time(self)
4139 r"""get_diffusion_coefficient(BodyStatisticsOptimizerState self) -> double"""
4140 return _IMP_npctransport.BodyStatisticsOptimizerState_get_diffusion_coefficient(self)
4142 def update_particle_type_zr_distribution_map(self):
4143 r"""update_particle_type_zr_distribution_map(BodyStatisticsOptimizerState self)"""
4144 return _IMP_npctransport.BodyStatisticsOptimizerState_update_particle_type_zr_distribution_map(self)
4146 def do_update(self, call_num):
4147 r"""do_update(BodyStatisticsOptimizerState self, unsigned int call_num)"""
4148 return _IMP_npctransport.BodyStatisticsOptimizerState_do_update(self, call_num)
4150 def get_version_info(self):
4151 r"""get_version_info(BodyStatisticsOptimizerState self) -> VersionInfo"""
4152 return _IMP_npctransport.BodyStatisticsOptimizerState_get_version_info(self)
4153 __swig_destroy__ = _IMP_npctransport.delete_BodyStatisticsOptimizerState
4156 r"""__str__(BodyStatisticsOptimizerState self) -> std::string"""
4157 return _IMP_npctransport.BodyStatisticsOptimizerState___str__(self)
4160 r"""__repr__(BodyStatisticsOptimizerState self) -> std::string"""
4161 return _IMP_npctransport.BodyStatisticsOptimizerState___repr__(self)
4165 return _object_cast_to_BodyStatisticsOptimizerState(o)
4169 _IMP_npctransport.BodyStatisticsOptimizerState_swigregister(BodyStatisticsOptimizerState)
4171 r"""Proxy of C++ IMP::npctransport::ParticleTransportStatisticsOptimizerState class."""
4173 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4175 def __init__(self, p, bottom_z, top_z, statistics_manager=None, owner=None):
4176 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"""
4177 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ParticleTransportStatisticsOptimizerState(p, bottom_z, top_z, statistics_manager, owner))
4179 def set_owner(self, owner):
4180 r"""set_owner(ParticleTransportStatisticsOptimizerState self, WeakPointer< IMP::atom::Simulator > owner)"""
4181 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_set_owner(self, owner)
4183 def get_owner(self):
4184 r"""get_owner(ParticleTransportStatisticsOptimizerState self) -> Simulator"""
4185 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_owner(self)
4187 def get_n_transports_up(self):
4188 r"""get_n_transports_up(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4189 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_up(self)
4191 def get_n_transports_down(self):
4192 r"""get_n_transports_down(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4193 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_down(self)
4195 def get_total_n_transports(self):
4196 r"""get_total_n_transports(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4197 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_total_n_transports(self)
4199 def get_transport_time_points_in_ns(self):
4200 r"""get_transport_time_points_in_ns(ParticleTransportStatisticsOptimizerState self) -> IMP::Floats const &"""
4201 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_transport_time_points_in_ns(self)
4203 def do_update(self, call_num):
4204 r"""do_update(ParticleTransportStatisticsOptimizerState self, unsigned int call_num)"""
4205 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_do_update(self, call_num)
4207 def get_version_info(self):
4208 r"""get_version_info(ParticleTransportStatisticsOptimizerState self) -> VersionInfo"""
4209 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_version_info(self)
4210 __swig_destroy__ = _IMP_npctransport.delete_ParticleTransportStatisticsOptimizerState
4213 r"""__str__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4214 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___str__(self)
4217 r"""__repr__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4218 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___repr__(self)
4222 return _object_cast_to_ParticleTransportStatisticsOptimizerState(o)
4226 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swigregister(ParticleTransportStatisticsOptimizerState)
4228 r"""Proxy of C++ IMP::npctransport::ChainStatisticsOptimizerState class."""
4230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4232 def __init__(self, ps, periodicity=1):
4233 r"""__init__(ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps, unsigned int periodicity=1) -> ChainStatisticsOptimizerState"""
4234 _IMP_npctransport.ChainStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ChainStatisticsOptimizerState(ps, periodicity))
4236 def get_correlation_time(self):
4237 r"""get_correlation_time(ChainStatisticsOptimizerState self) -> double"""
4238 return _IMP_npctransport.ChainStatisticsOptimizerState_get_correlation_time(self)
4240 def get_local_diffusion_coefficients(self):
4241 r"""get_local_diffusion_coefficients(ChainStatisticsOptimizerState self) -> IMP::Floats"""
4242 return _IMP_npctransport.ChainStatisticsOptimizerState_get_local_diffusion_coefficients(self)
4245 r"""get_diffusion_coefficient(ChainStatisticsOptimizerState self) -> double"""
4246 return _IMP_npctransport.ChainStatisticsOptimizerState_get_diffusion_coefficient(self)
4248 def get_mean_radius_of_gyration(self):
4249 r"""get_mean_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4250 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_radius_of_gyration(self)
4252 def get_mean_square_radius_of_gyration(self):
4253 r"""get_mean_square_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4254 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_radius_of_gyration(self)
4256 def get_mean_end_to_end_distance(self):
4257 r"""get_mean_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4258 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_end_to_end_distance(self)
4260 def get_mean_square_end_to_end_distance(self):
4261 r"""get_mean_square_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4262 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_end_to_end_distance(self)
4264 def get_mean_bond_distance(self):
4265 r"""get_mean_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4266 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_bond_distance(self)
4268 def get_mean_square_bond_distance(self):
4269 r"""get_mean_square_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4270 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_bond_distance(self)
4272 def do_update(self, call_num):
4273 r"""do_update(ChainStatisticsOptimizerState self, unsigned int call_num)"""
4274 return _IMP_npctransport.ChainStatisticsOptimizerState_do_update(self, call_num)
4276 def get_version_info(self):
4277 r"""get_version_info(ChainStatisticsOptimizerState self) -> VersionInfo"""
4278 return _IMP_npctransport.ChainStatisticsOptimizerState_get_version_info(self)
4279 __swig_destroy__ = _IMP_npctransport.delete_ChainStatisticsOptimizerState
4282 r"""__str__(ChainStatisticsOptimizerState self) -> std::string"""
4283 return _IMP_npctransport.ChainStatisticsOptimizerState___str__(self)
4286 r"""__repr__(ChainStatisticsOptimizerState self) -> std::string"""
4287 return _IMP_npctransport.ChainStatisticsOptimizerState___repr__(self)
4291 return _object_cast_to_ChainStatisticsOptimizerState(o)
4295 _IMP_npctransport.ChainStatisticsOptimizerState_swigregister(ChainStatisticsOptimizerState)
4297 r"""Proxy of C++ IMP::npctransport::BipartitePairsStatisticsOptimizerState class."""
4299 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4301 def __init__(self, statistics_manager, interaction_type, particlesI, particlesII, contact_range=1.0, slack=1.0):
4302 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"""
4303 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BipartitePairsStatisticsOptimizerState(statistics_manager, interaction_type, particlesI, particlesII, contact_range, slack))
4305 def get_interaction_type(self):
4306 r"""get_interaction_type(BipartitePairsStatisticsOptimizerState self) -> IMP::npctransport::InteractionType"""
4307 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_interaction_type(self)
4309 def get_average_number_of_contacts(self):
4310 r"""get_average_number_of_contacts(BipartitePairsStatisticsOptimizerState self) -> double"""
4311 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_number_of_contacts(self)
4313 def get_average_off_per_contact_per_ns(self):
4314 r"""get_average_off_per_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4315 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_contact_per_ns(self)
4317 def get_average_off_per_bound_I_per_ns(self):
4318 r"""get_average_off_per_bound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4319 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_I_per_ns(self)
4321 def get_average_off_per_bound_II_per_ns(self):
4322 r"""get_average_off_per_bound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4323 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_II_per_ns(self)
4325 def get_average_on_per_missing_contact_per_ns(self):
4326 r"""get_average_on_per_missing_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4327 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_missing_contact_per_ns(self)
4329 def get_average_on_per_unbound_I_per_ns(self):
4330 r"""get_average_on_per_unbound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4331 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_I_per_ns(self)
4333 def get_average_on_per_unbound_II_per_ns(self):
4334 r"""get_average_on_per_unbound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4335 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_II_per_ns(self)
4337 def get_average_fraction_bound_particles_I(self):
4338 r"""get_average_fraction_bound_particles_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4339 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_I(self)
4341 def get_average_fraction_bound_particles_II(self):
4342 r"""get_average_fraction_bound_particles_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4343 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_II(self)
4345 def get_average_fraction_bound_particle_sites_I(self):
4346 r"""get_average_fraction_bound_particle_sites_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4347 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_I(self)
4349 def get_average_fraction_bound_particle_sites_II(self):
4350 r"""get_average_fraction_bound_particle_sites_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4351 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_II(self)
4353 def get_average_fraction_nonspecific_interactions_I(self):
4354 r"""get_average_fraction_nonspecific_interactions_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4355 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_I(self)
4357 def get_average_fraction_nonspecific_interactions_II(self):
4358 r"""get_average_fraction_nonspecific_interactions_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4359 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_II(self)
4361 def get_number_of_particles_1(self):
4362 r"""get_number_of_particles_1(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4363 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_1(self)
4365 def get_number_of_particles_2(self):
4366 r"""get_number_of_particles_2(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4367 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_2(self)
4369 def get_misc_stats_period_ns(self):
4370 r"""get_misc_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4371 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_misc_stats_period_ns(self)
4373 def get_off_stats_period_ns(self):
4374 r"""get_off_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4375 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_stats_period_ns(self)
4377 def get_off_I_stats_period_ns(self):
4378 r"""get_off_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4379 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_I_stats_period_ns(self)
4381 def get_off_II_stats_period_ns(self):
4382 r"""get_off_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4383 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_II_stats_period_ns(self)
4385 def get_on_stats_period_ns(self):
4386 r"""get_on_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4387 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_stats_period_ns(self)
4389 def get_on_I_stats_period_ns(self):
4390 r"""get_on_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4391 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_I_stats_period_ns(self)
4393 def get_on_II_stats_period_ns(self):
4394 r"""get_on_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4395 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_II_stats_period_ns(self)
4397 def get_version_info(self):
4398 r"""get_version_info(BipartitePairsStatisticsOptimizerState self) -> VersionInfo"""
4399 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_version_info(self)
4400 __swig_destroy__ = _IMP_npctransport.delete_BipartitePairsStatisticsOptimizerState
4403 r"""__str__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4404 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___str__(self)
4407 r"""__repr__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4408 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___repr__(self)
4412 return _object_cast_to_BipartitePairsStatisticsOptimizerState(o)
4416 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swigregister(BipartitePairsStatisticsOptimizerState)
4418 def get_close_pairs_range(*args):
4420 get_close_pairs_range(double max_range, double max_range_factor) -> double
4421 get_close_pairs_range(::npctransport_proto::Assignment const & config) -> double
4423 return _IMP_npctransport.get_close_pairs_range(*args)
4427 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
4428 get_time_step(::npctransport_proto::Assignment const & config, double max_trans_relative_to_radius=0.1) -> double
4430 return _IMP_npctransport.get_time_step(*args)
4433 r"""get_frames_from_ns(double ns, double time_step) -> int"""
4434 return _IMP_npctransport.get_frames_from_ns(ns, time_step)
4437 r"""get_number_of_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4438 return _IMP_npctransport.get_number_of_frames(config, time_step)
4441 r"""get_dump_interval_in_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4442 return _IMP_npctransport.get_dump_interval_in_frames(config, time_step)
4445 r"""get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=0.1) -> int"""
4446 return _IMP_npctransport.get_statistics_interval_in_frames(assign, time_step, default_value_ns)
4449 r"""get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=1.0) -> int"""
4450 return _IMP_npctransport.get_output_statistics_interval_in_frames(assign, time_step, default_value_ns)
4453 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)"""
4454 return _IMP_npctransport.initialize_positions(*args)
4457 r"""get_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4458 return _IMP_npctransport.get_optimizable_particles(particles)
4461 r"""get_non_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4462 return _IMP_npctransport.get_non_optimizable_particles(particles)
4465 r"""get_particle_indexes(IMP::ParticlesTemp const & particles) -> IMP::ParticleIndexes"""
4466 return _IMP_npctransport.get_particle_indexes(particles)
4469 r"""get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)"""
4470 return _IMP_npctransport.get_protobuf_configuration_from_text(config_txt, config_pb)
4473 r"""get_spheres_from_vectors(IMP::algebra::Vector3Ds const & vs, double radius) -> IMP::algebra::Sphere3Ds"""
4474 return _IMP_npctransport.get_spheres_from_vectors(vs, radius)
4476 def get_spheres_centers(spheres):
4477 r"""get_spheres_centers(IMP::algebra::Sphere3Ds const & spheres) -> IMP::algebra::Vector3Ds"""
4478 return _IMP_npctransport.get_spheres_centers(spheres)
4481 r"""copy_particle_reference_frame_if_applicable(Particle src_p, Particle trg_p)"""
4482 return _IMP_npctransport.copy_particle_reference_frame_if_applicable(src_p, trg_p)
4485 r"""copy_hierarchy_reference_frame_recursive(Particle src_p, Particle trg_p)"""
4486 return _IMP_npctransport.copy_hierarchy_reference_frame_recursive(src_p, trg_p)
4489 r"""copy_FGs_coordinates(SimulationData src_sd, SimulationData trg_sd)"""
4490 return _IMP_npctransport.copy_FGs_coordinates(src_sd, trg_sd)
4491 class Avro2PBReader(object):
4492 r"""Proxy of C++ IMP::npctransport::Avro2PBReader class."""
4494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4496 def __init__(self, *args):
4498 __init__(Avro2PBReader self, IMP::Strings const & avro_filenames) -> Avro2PBReader
4499 __init__(Avro2PBReader self, std::string avro_filename) -> Avro2PBReader
4501 _IMP_npctransport.Avro2PBReader_swiginit(self, _IMP_npctransport.new_Avro2PBReader(*args))
4502 __swig_destroy__ = _IMP_npctransport.delete_Avro2PBReader
4504 def read_next(self):
4505 r"""read_next(Avro2PBReader self) -> IMP::npctransport::Avro2PBReader::ByteBuffer"""
4506 return _IMP_npctransport.Avro2PBReader_read_next(self)
4508 def get_is_valid(self):
4509 r"""get_is_valid(Avro2PBReader self) -> bool"""
4510 return _IMP_npctransport.Avro2PBReader_get_is_valid(self)
4512 def get_cur_file_name(self):
4513 r"""get_cur_file_name(Avro2PBReader self) -> std::string"""
4514 return _IMP_npctransport.Avro2PBReader_get_cur_file_name(self)
4516 def show(self, *args):
4517 r"""show(Avro2PBReader self, _ostream out=std::cout)"""
4518 return _IMP_npctransport.Avro2PBReader_show(self, *args)
4521 r"""__str__(Avro2PBReader self) -> std::string"""
4522 return _IMP_npctransport.Avro2PBReader___str__(self)
4525 r"""__repr__(Avro2PBReader self) -> std::string"""
4526 return _IMP_npctransport.Avro2PBReader___repr__(self)
4529 _IMP_npctransport.Avro2PBReader_swigregister(Avro2PBReader)
4532 r"""startup(int argc) -> SimulationData"""
4533 return _IMP_npctransport.startup(argc)
4536 r"""remove_Nup42(SimulationData sd)"""
4537 return _IMP_npctransport.remove_Nup42(sd)
4540 r"""inflate_floater(SimulationData sd, std::string const floater_name, float const new_radius)"""
4541 return _IMP_npctransport.inflate_floater(sd, floater_name, new_radius)
4544 r"""reset_box_size(SimulationData sd, double box_size)"""
4545 return _IMP_npctransport.reset_box_size(sd, box_size)
4548 r"""do_main_loop(SimulationData sd, IMP::RestraintsTemp const & init_restraints)"""
4549 return _IMP_npctransport.do_main_loop(sd, init_restraints)
4552 from .npctransport_pb2
import *
4553 import google.protobuf
4555 print(
"no protobuf support in python")
4556 from ._configuration
import *
4562 r"""get_module_name() -> std::string const"""
4563 return _IMP_npctransport.get_module_name()
4566 r"""get_module_version() -> std::string const"""
4567 return _IMP_npctransport.get_module_version()
4570 r"""get_example_path(std::string fname) -> std::string"""
4571 return _IMP_npctransport.get_example_path(fname)
4574 r"""get_data_path(std::string fname) -> std::string"""
4575 return _IMP_npctransport.get_data_path(fname)
4577 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