14 from sys
import version_info
as _swig_python_version_info
15 import _IMP_npctransport
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_NPCTRANSPORT_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_NPCTRANSPORT_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_npctransport.delete_IMP_NPCTRANSPORT_SwigPyIterator
77 r"""value(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
78 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_value(self)
81 r"""incr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator"""
82 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_NPCTRANSPORT_SwigPyIterator self, size_t n=1) -> IMP_NPCTRANSPORT_SwigPyIterator"""
86 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
94 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_NPCTRANSPORT_SwigPyIterator self) -> IMP_NPCTRANSPORT_SwigPyIterator"""
98 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_copy(self)
101 r"""next(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
102 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_next(self)
105 r"""__next__(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
106 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___next__(self)
109 r"""previous(IMP_NPCTRANSPORT_SwigPyIterator self) -> PyObject *"""
110 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
114 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
118 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> bool"""
122 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
126 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
130 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator"""
134 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, ptrdiff_t n) -> IMP_NPCTRANSPORT_SwigPyIterator
139 __sub__(IMP_NPCTRANSPORT_SwigPyIterator self, IMP_NPCTRANSPORT_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator___sub__(self, *args)
146 _IMP_npctransport.IMP_NPCTRANSPORT_SwigPyIterator_swigregister(IMP_NPCTRANSPORT_SwigPyIterator)
153 IMP_DEBUG = _IMP_npctransport.IMP_DEBUG
155 IMP_RELEASE = _IMP_npctransport.IMP_RELEASE
157 IMP_SILENT = _IMP_npctransport.IMP_SILENT
159 IMP_PROGRESS = _IMP_npctransport.IMP_PROGRESS
161 IMP_TERSE = _IMP_npctransport.IMP_TERSE
163 IMP_VERBOSE = _IMP_npctransport.IMP_VERBOSE
165 IMP_MEMORY = _IMP_npctransport.IMP_MEMORY
167 IMP_NONE = _IMP_npctransport.IMP_NONE
169 IMP_USAGE = _IMP_npctransport.IMP_USAGE
171 IMP_INTERNAL = _IMP_npctransport.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_npctransport.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_npctransport.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_npctransport.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_npctransport.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_npctransport.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_npctransport.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_npctransport.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_npctransport.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 class _ostream(object):
225 r"""Proxy of C++ std::ostream class."""
227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
229 def __init__(self, *args, **kwargs):
230 raise AttributeError(
"No constructor defined")
231 __repr__ = _swig_repr
233 def write(self, osa_buf):
234 r"""write(_ostream self, char const * osa_buf)"""
235 return _IMP_npctransport._ostream_write(self, osa_buf)
238 _IMP_npctransport._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_npctransport.IMP_C_OPEN_BINARY
242 IMP_BENCHMARK_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_FILESYSTEM
244 IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS
246 IMP_BENCHMARK_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_RANDOM
248 IMP_BENCHMARK_HAS_NUMPY = _IMP_npctransport.IMP_BENCHMARK_HAS_NUMPY
250 IMPBENCHMARK_SHOW_WARNINGS = _IMP_npctransport.IMPBENCHMARK_SHOW_WARNINGS
253 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_FILESYSTEM
255 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
257 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_RANDOM
259 IMP_CGAL_HAS_NUMPY = _IMP_npctransport.IMP_CGAL_HAS_NUMPY
261 IMPCGAL_SHOW_WARNINGS = _IMP_npctransport.IMPCGAL_SHOW_WARNINGS
264 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_IMP_CGAL
266 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
268 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
270 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_RANDOM
272 IMP_ALGEBRA_HAS_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_CGAL
274 IMP_ALGEBRA_HAS_NUMPY = _IMP_npctransport.IMP_ALGEBRA_HAS_NUMPY
276 IMP_ALGEBRA_HAS_ANN = _IMP_npctransport.IMP_ALGEBRA_HAS_ANN
278 IMPALGEBRA_SHOW_WARNINGS = _IMP_npctransport.IMPALGEBRA_SHOW_WARNINGS
281 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_IMP_CGAL
283 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
285 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
287 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_RANDOM
289 IMP_DISPLAY_HAS_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_CGAL
291 IMP_DISPLAY_HAS_NUMPY = _IMP_npctransport.IMP_DISPLAY_HAS_NUMPY
293 IMPDISPLAY_SHOW_WARNINGS = _IMP_npctransport.IMPDISPLAY_SHOW_WARNINGS
296 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
298 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
300 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
302 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
304 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_CGAL
306 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_HDF5
308 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_NUMPY
310 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_npctransport.IMPSCOREFUNCTOR_SHOW_WARNINGS
313 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_IMP_CGAL
315 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
317 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
319 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_RANDOM
321 IMP_STATISTICS_HAS_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_CGAL
323 IMP_STATISTICS_HAS_NUMPY = _IMP_npctransport.IMP_STATISTICS_HAS_NUMPY
325 IMPSTATISTICS_SHOW_WARNINGS = _IMP_npctransport.IMPSTATISTICS_SHOW_WARNINGS
328 IMP_CORE_HAS_IMP_CGAL = _IMP_npctransport.IMP_CORE_HAS_IMP_CGAL
330 IMP_CORE_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CORE_HAS_IMP_KERNEL
332 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_FILESYSTEM
334 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
336 IMP_CORE_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CORE_HAS_BOOST_RANDOM
338 IMP_CORE_HAS_CGAL = _IMP_npctransport.IMP_CORE_HAS_CGAL
340 IMP_CORE_HAS_HDF5 = _IMP_npctransport.IMP_CORE_HAS_HDF5
342 IMP_CORE_HAS_NUMPY = _IMP_npctransport.IMP_CORE_HAS_NUMPY
344 IMPCORE_SHOW_WARNINGS = _IMP_npctransport.IMPCORE_SHOW_WARNINGS
347 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_ALGEBRA
349 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_CGAL
351 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_DISPLAY
353 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_KERNEL
355 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
357 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
359 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
361 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_RANDOM
363 IMP_CONTAINER_HAS_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_CGAL
365 IMP_CONTAINER_HAS_HDF5 = _IMP_npctransport.IMP_CONTAINER_HAS_HDF5
367 IMP_CONTAINER_HAS_NUMPY = _IMP_npctransport.IMP_CONTAINER_HAS_NUMPY
369 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_npctransport.IMP_CONTAINER_HAS_PYTHON_IHM
371 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
373 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_ROBIN_MAP
375 IMPCONTAINER_SHOW_WARNINGS = _IMP_npctransport.IMPCONTAINER_SHOW_WARNINGS
378 IMP_ATOM_HAS_IMP_CGAL = _IMP_npctransport.IMP_ATOM_HAS_IMP_CGAL
380 IMP_ATOM_HAS_IMP_KERNEL = _IMP_npctransport.IMP_ATOM_HAS_IMP_KERNEL
382 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
384 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
386 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_RANDOM
388 IMP_ATOM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ATOM_HAS_BOOST_REGEX
390 IMP_ATOM_HAS_CGAL = _IMP_npctransport.IMP_ATOM_HAS_CGAL
392 IMP_ATOM_HAS_HDF5 = _IMP_npctransport.IMP_ATOM_HAS_HDF5
394 IMP_ATOM_HAS_NUMPY = _IMP_npctransport.IMP_ATOM_HAS_NUMPY
396 IMP_ATOM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ATOM_HAS_PYTHON_IHM
398 IMPATOM_SHOW_WARNINGS = _IMP_npctransport.IMPATOM_SHOW_WARNINGS
400 IMP_ATOM_TYPE_INDEX = _IMP_npctransport.IMP_ATOM_TYPE_INDEX
402 IMP_RESIDUE_TYPE_INDEX = _IMP_npctransport.IMP_RESIDUE_TYPE_INDEX
404 IMP_HIERARCHY_TYPE_INDEX = _IMP_npctransport.IMP_HIERARCHY_TYPE_INDEX
406 IMP_CHAIN_TYPE_INDEX = _IMP_npctransport.IMP_CHAIN_TYPE_INDEX
409 IMP_EM_HAS_IMP_CGAL = _IMP_npctransport.IMP_EM_HAS_IMP_CGAL
411 IMP_EM_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_EM_HAS_IMP_CONTAINER
413 IMP_EM_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_EM_HAS_IMP_DISPLAY
415 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_EM_HAS_IMP_SCORE_FUNCTOR
417 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_EM_HAS_BOOST_FILESYSTEM
419 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
421 IMP_EM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_EM_HAS_BOOST_RANDOM
423 IMP_EM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_EM_HAS_BOOST_REGEX
425 IMP_EM_HAS_CGAL = _IMP_npctransport.IMP_EM_HAS_CGAL
427 IMP_EM_HAS_HDF5 = _IMP_npctransport.IMP_EM_HAS_HDF5
429 IMP_EM_HAS_NUMPY = _IMP_npctransport.IMP_EM_HAS_NUMPY
431 IMP_EM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_EM_HAS_PYTHON_IHM
433 IMPEM_SHOW_WARNINGS = _IMP_npctransport.IMPEM_SHOW_WARNINGS
436 IMP_SAXS_HAS_IMP_CGAL = _IMP_npctransport.IMP_SAXS_HAS_IMP_CGAL
438 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_SAXS_HAS_IMP_CONTAINER
440 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_SAXS_HAS_IMP_DISPLAY
442 IMP_SAXS_HAS_IMP_KERNEL = _IMP_npctransport.IMP_SAXS_HAS_IMP_KERNEL
444 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
446 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_FILESYSTEM
448 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
450 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_RANDOM
452 IMP_SAXS_HAS_BOOST_REGEX = _IMP_npctransport.IMP_SAXS_HAS_BOOST_REGEX
454 IMP_SAXS_HAS_CGAL = _IMP_npctransport.IMP_SAXS_HAS_CGAL
456 IMP_SAXS_HAS_HDF5 = _IMP_npctransport.IMP_SAXS_HAS_HDF5
458 IMP_SAXS_HAS_NUMPY = _IMP_npctransport.IMP_SAXS_HAS_NUMPY
460 IMP_SAXS_HAS_PYTHON_IHM = _IMP_npctransport.IMP_SAXS_HAS_PYTHON_IHM
462 IMPSAXS_SHOW_WARNINGS = _IMP_npctransport.IMPSAXS_SHOW_WARNINGS
465 IMP_ISD_HAS_IMP_CGAL = _IMP_npctransport.IMP_ISD_HAS_IMP_CGAL
467 IMP_ISD_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_ISD_HAS_IMP_DISPLAY
469 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
471 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ISD_HAS_BOOST_FILESYSTEM
473 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
475 IMP_ISD_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ISD_HAS_BOOST_RANDOM
477 IMP_ISD_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ISD_HAS_BOOST_REGEX
479 IMP_ISD_HAS_CGAL = _IMP_npctransport.IMP_ISD_HAS_CGAL
481 IMP_ISD_HAS_HDF5 = _IMP_npctransport.IMP_ISD_HAS_HDF5
483 IMP_ISD_HAS_NUMPY = _IMP_npctransport.IMP_ISD_HAS_NUMPY
485 IMP_ISD_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ISD_HAS_PYTHON_IHM
487 IMPISD_SHOW_WARNINGS = _IMP_npctransport.IMPISD_SHOW_WARNINGS
490 IMP_RMF_HAS_IMP_CGAL = _IMP_npctransport.IMP_RMF_HAS_IMP_CGAL
492 IMP_RMF_HAS_IMP_EM = _IMP_npctransport.IMP_RMF_HAS_IMP_EM
494 IMP_RMF_HAS_IMP_SAXS = _IMP_npctransport.IMP_RMF_HAS_IMP_SAXS
496 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
498 IMP_RMF_HAS_IMP_STATISTICS = _IMP_npctransport.IMP_RMF_HAS_IMP_STATISTICS
500 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_FILESYSTEM
502 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
504 IMP_RMF_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_RMF_HAS_BOOST_RANDOM
506 IMP_RMF_HAS_BOOST_REGEX = _IMP_npctransport.IMP_RMF_HAS_BOOST_REGEX
508 IMP_RMF_HAS_CGAL = _IMP_npctransport.IMP_RMF_HAS_CGAL
510 IMP_RMF_HAS_HDF5 = _IMP_npctransport.IMP_RMF_HAS_HDF5
512 IMP_RMF_HAS_NUMPY = _IMP_npctransport.IMP_RMF_HAS_NUMPY
514 IMP_RMF_HAS_PYTHON_IHM = _IMP_npctransport.IMP_RMF_HAS_PYTHON_IHM
516 IMPRMF_SHOW_WARNINGS = _IMP_npctransport.IMPRMF_SHOW_WARNINGS
520 IMP_NPCTRANSPORT_HAS_IMP_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_CGAL
522 IMP_NPCTRANSPORT_HAS_IMP_EM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_EM
524 IMP_NPCTRANSPORT_HAS_IMP_ISD = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_ISD
526 IMP_NPCTRANSPORT_HAS_IMP_SAXS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_SAXS
528 IMP_NPCTRANSPORT_HAS_ABSEIL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_ABSEIL
530 IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM
532 IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS
534 IMP_NPCTRANSPORT_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_RANDOM
536 IMP_NPCTRANSPORT_HAS_BOOST_REGEX = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_REGEX
538 IMP_NPCTRANSPORT_HAS_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_CGAL
540 IMP_NPCTRANSPORT_HAS_HDF5 = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_HDF5
542 IMP_NPCTRANSPORT_HAS_NUMPY = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_NUMPY
544 IMP_NPCTRANSPORT_HAS_PYTHON_IHM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_PYTHON_IHM
546 IMPNPCTRANSPORT_SHOW_WARNINGS = _IMP_npctransport.IMPNPCTRANSPORT_SHOW_WARNINGS
549 _object_types.append(
"SitesPairScore")
552 def _object_cast_to_SitesPairScore(o):
553 r"""_object_cast_to_SitesPairScore(Object o) -> SitesPairScore"""
554 return _IMP_npctransport._object_cast_to_SitesPairScore(o)
556 _object_types.append(
"Scoring")
559 def _object_cast_to_Scoring(o):
560 r"""_object_cast_to_Scoring(Object o) -> Scoring"""
561 return _IMP_npctransport._object_cast_to_Scoring(o)
563 _object_types.append(
"BrownianDynamicsTAMDWithSlabSupport")
566 def _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o):
567 r"""_object_cast_to_BrownianDynamicsTAMDWithSlabSupport(Object o) -> BrownianDynamicsTAMDWithSlabSupport"""
568 return _IMP_npctransport._object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
570 _object_types.append(
"Statistics")
573 def _object_cast_to_Statistics(o):
574 r"""_object_cast_to_Statistics(Object o) -> Statistics"""
575 return _IMP_npctransport._object_cast_to_Statistics(o)
577 _object_types.append(
"SimulationData")
580 def _object_cast_to_SimulationData(o):
581 r"""_object_cast_to_SimulationData(Object o) -> SimulationData"""
582 return _IMP_npctransport._object_cast_to_SimulationData(o)
584 _object_types.append(
"SitesGeometry")
587 def _object_cast_to_SitesGeometry(o):
588 r"""_object_cast_to_SitesGeometry(Object o) -> SitesGeometry"""
589 return _IMP_npctransport._object_cast_to_SitesGeometry(o)
591 _object_types.append(
"TypedSitesGeometry")
594 def _object_cast_to_TypedSitesGeometry(o):
595 r"""_object_cast_to_TypedSitesGeometry(Object o) -> TypedSitesGeometry"""
596 return _IMP_npctransport._object_cast_to_TypedSitesGeometry(o)
598 _object_types.append(
"SlabWithCylindricalPorePairScore")
601 def _object_cast_to_SlabWithCylindricalPorePairScore(o):
602 r"""_object_cast_to_SlabWithCylindricalPorePairScore(Object o) -> SlabWithCylindricalPorePairScore"""
603 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPorePairScore(o)
605 _object_types.append(
"SlabWithToroidalPorePairScore")
608 def _object_cast_to_SlabWithToroidalPorePairScore(o):
609 r"""_object_cast_to_SlabWithToroidalPorePairScore(Object o) -> SlabWithToroidalPorePairScore"""
610 return _IMP_npctransport._object_cast_to_SlabWithToroidalPorePairScore(o)
612 _object_types.append(
"PoreRadiusSingletonScore")
615 def _object_cast_to_PoreRadiusSingletonScore(o):
616 r"""_object_cast_to_PoreRadiusSingletonScore(Object o) -> PoreRadiusSingletonScore"""
617 return _IMP_npctransport._object_cast_to_PoreRadiusSingletonScore(o)
619 _object_types.append(
"ExcludeZRangeSingletonScore")
622 def _object_cast_to_ExcludeZRangeSingletonScore(o):
623 r"""_object_cast_to_ExcludeZRangeSingletonScore(Object o) -> ExcludeZRangeSingletonScore"""
624 return _IMP_npctransport._object_cast_to_ExcludeZRangeSingletonScore(o)
626 _object_types.append(
"ZBiasSingletonScore")
629 def _object_cast_to_ZBiasSingletonScore(o):
630 r"""_object_cast_to_ZBiasSingletonScore(Object o) -> ZBiasSingletonScore"""
631 return _IMP_npctransport._object_cast_to_ZBiasSingletonScore(o)
633 _object_types.append(
"SlabWithCylindricalPoreWireGeometry")
636 def _object_cast_to_SlabWithCylindricalPoreWireGeometry(o):
637 r"""_object_cast_to_SlabWithCylindricalPoreWireGeometry(Object o) -> SlabWithCylindricalPoreWireGeometry"""
638 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
640 _object_types.append(
"SlabWithCylindricalPoreSurfaceGeometry")
643 def _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o):
644 r"""_object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(Object o) -> SlabWithCylindricalPoreSurfaceGeometry"""
645 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
647 _object_types.append(
"SlabWithToroidalPoreWireGeometry")
650 def _object_cast_to_SlabWithToroidalPoreWireGeometry(o):
651 r"""_object_cast_to_SlabWithToroidalPoreWireGeometry(Object o) -> SlabWithToroidalPoreWireGeometry"""
652 return _IMP_npctransport._object_cast_to_SlabWithToroidalPoreWireGeometry(o)
654 _object_types.append(
"LinearSoftSpherePairScore")
657 def _object_cast_to_LinearSoftSpherePairScore(o):
658 r"""_object_cast_to_LinearSoftSpherePairScore(Object o) -> LinearSoftSpherePairScore"""
659 return _IMP_npctransport._object_cast_to_LinearSoftSpherePairScore(o)
661 _object_types.append(
"FunctorLinearSoftSpherePairScore")
664 def _object_cast_to_FunctorLinearSoftSpherePairScore(o):
665 r"""_object_cast_to_FunctorLinearSoftSpherePairScore(Object o) -> FunctorLinearSoftSpherePairScore"""
666 return _IMP_npctransport._object_cast_to_FunctorLinearSoftSpherePairScore(o)
668 _object_types.append(
"LinearInteractionPairScore")
671 def _object_cast_to_LinearInteractionPairScore(o):
672 r"""_object_cast_to_LinearInteractionPairScore(Object o) -> LinearInteractionPairScore"""
673 return _IMP_npctransport._object_cast_to_LinearInteractionPairScore(o)
675 _object_types.append(
"FunctorLinearInteractionPairScore")
678 def _object_cast_to_FunctorLinearInteractionPairScore(o):
679 r"""_object_cast_to_FunctorLinearInteractionPairScore(Object o) -> FunctorLinearInteractionPairScore"""
680 return _IMP_npctransport._object_cast_to_FunctorLinearInteractionPairScore(o)
682 _object_types.append(
"LinearWellPairScore")
685 def _object_cast_to_LinearWellPairScore(o):
686 r"""_object_cast_to_LinearWellPairScore(Object o) -> LinearWellPairScore"""
687 return _IMP_npctransport._object_cast_to_LinearWellPairScore(o)
689 _object_types.append(
"HarmonicSpringSingletonScore")
692 def _object_cast_to_HarmonicSpringSingletonScore(o):
693 r"""_object_cast_to_HarmonicSpringSingletonScore(Object o) -> HarmonicSpringSingletonScore"""
694 return _IMP_npctransport._object_cast_to_HarmonicSpringSingletonScore(o)
696 _object_types.append(
"HierarchyWithSitesSaveLink")
699 def _object_cast_to_HierarchyWithSitesSaveLink(o):
700 r"""_object_cast_to_HierarchyWithSitesSaveLink(Object o) -> HierarchyWithSitesSaveLink"""
701 return _IMP_npctransport._object_cast_to_HierarchyWithSitesSaveLink(o)
703 _object_types.append(
"HierarchyWithSitesLoadLink")
706 def _object_cast_to_HierarchyWithSitesLoadLink(o):
707 r"""_object_cast_to_HierarchyWithSitesLoadLink(Object o) -> HierarchyWithSitesLoadLink"""
708 return _IMP_npctransport._object_cast_to_HierarchyWithSitesLoadLink(o)
710 _object_types.append(
"ChainStatisticsOptimizerState")
713 def _object_cast_to_ChainStatisticsOptimizerState(o):
714 r"""_object_cast_to_ChainStatisticsOptimizerState(Object o) -> ChainStatisticsOptimizerState"""
715 return _IMP_npctransport._object_cast_to_ChainStatisticsOptimizerState(o)
717 _object_types.append(
"BodyStatisticsOptimizerState")
720 def _object_cast_to_BodyStatisticsOptimizerState(o):
721 r"""_object_cast_to_BodyStatisticsOptimizerState(Object o) -> BodyStatisticsOptimizerState"""
722 return _IMP_npctransport._object_cast_to_BodyStatisticsOptimizerState(o)
724 _object_types.append(
"BipartitePairsStatisticsOptimizerState")
727 def _object_cast_to_BipartitePairsStatisticsOptimizerState(o):
728 r"""_object_cast_to_BipartitePairsStatisticsOptimizerState(Object o) -> BipartitePairsStatisticsOptimizerState"""
729 return _IMP_npctransport._object_cast_to_BipartitePairsStatisticsOptimizerState(o)
731 _object_types.append(
"ParticleTransportStatisticsOptimizerState")
734 def _object_cast_to_ParticleTransportStatisticsOptimizerState(o):
735 r"""_object_cast_to_ParticleTransportStatisticsOptimizerState(Object o) -> ParticleTransportStatisticsOptimizerState"""
736 return _IMP_npctransport._object_cast_to_ParticleTransportStatisticsOptimizerState(o)
738 _object_types.append(
"FGChain")
741 def _object_cast_to_FGChain(o):
742 r"""_object_cast_to_FGChain(Object o) -> FGChain"""
743 return _IMP_npctransport._object_cast_to_FGChain(o)
745 _object_types.append(
"ParticleFactory")
748 def _object_cast_to_ParticleFactory(o):
749 r"""_object_cast_to_ParticleFactory(Object o) -> ParticleFactory"""
750 return _IMP_npctransport._object_cast_to_ParticleFactory(o)
753 _plural_types.append(
"Avro2PBReaders")
754 _value_types.append(
"Avro2PBReader")
757 SitesPairScoreParametersList=list
758 _plural_types.append(
"SitesPairScoreParametersList")
759 _value_types.append(
"SitesPairScoreParameters")
762 def Transportings(l=[]):
763 return [Transporting(x)
for x
in l]
764 _plural_types.append(
"Transportings")
767 _value_types.append(
"Transporting")
770 def SlabWithPores(l=[]):
771 return [SlabWithPore(x)
for x
in l]
772 _plural_types.append(
"SlabWithPores")
775 _value_types.append(
"SlabWithPore")
778 def SlabWithCylindricalPores(l=[]):
779 return [SlabWithCylindricalPore(x)
for x
in l]
780 _plural_types.append(
"SlabWithCylindricalPores")
783 _value_types.append(
"SlabWithCylindricalPore")
786 def RelaxingSprings(l=[]):
787 return [RelaxingSpring(x)
for x
in l]
788 _plural_types.append(
"RelaxingSprings")
791 _value_types.append(
"RelaxingSpring")
794 def SlabWithToroidalPores(l=[]):
795 return [SlabWithToroidalPore(x)
for x
in l]
796 _plural_types.append(
"SlabWithToroidalPores")
799 _value_types.append(
"SlabWithToroidalPore")
801 class _DoubleParameter(object):
802 r"""Proxy of C++ IMP::npctransport::Parameter< double > class."""
804 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
805 __repr__ = _swig_repr
807 def __init__(self, *args):
809 __init__(_DoubleParameter self) -> _DoubleParameter
810 __init__(_DoubleParameter self, double t) -> _DoubleParameter
812 _IMP_npctransport._DoubleParameter_swiginit(self, _IMP_npctransport.new__DoubleParameter(*args))
815 r"""get_value(_DoubleParameter self) -> double"""
816 return _IMP_npctransport._DoubleParameter_get_value(self)
819 r"""is_init(_DoubleParameter self) -> bool"""
820 return _IMP_npctransport._DoubleParameter_is_init(self)
821 __swig_destroy__ = _IMP_npctransport.delete__DoubleParameter
824 _IMP_npctransport._DoubleParameter_swigregister(_DoubleParameter)
825 class _IntParameter(object):
826 r"""Proxy of C++ IMP::npctransport::Parameter< int > class."""
828 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
829 __repr__ = _swig_repr
831 def __init__(self, *args):
833 __init__(_IntParameter self) -> _IntParameter
834 __init__(_IntParameter self, int t) -> _IntParameter
836 _IMP_npctransport._IntParameter_swiginit(self, _IMP_npctransport.new__IntParameter(*args))
839 r"""get_value(_IntParameter self) -> int"""
840 return _IMP_npctransport._IntParameter_get_value(self)
843 r"""is_init(_IntParameter self) -> bool"""
844 return _IMP_npctransport._IntParameter_is_init(self)
845 __swig_destroy__ = _IMP_npctransport.delete__IntParameter
848 _IMP_npctransport._IntParameter_swigregister(_IntParameter)
849 class _BoolParameter(object):
850 r"""Proxy of C++ IMP::npctransport::Parameter< bool > class."""
852 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
853 __repr__ = _swig_repr
855 def __init__(self, *args):
857 __init__(_BoolParameter self) -> _BoolParameter
858 __init__(_BoolParameter self, bool t) -> _BoolParameter
860 _IMP_npctransport._BoolParameter_swiginit(self, _IMP_npctransport.new__BoolParameter(*args))
863 r"""get_value(_BoolParameter self) -> bool"""
864 return _IMP_npctransport._BoolParameter_get_value(self)
867 r"""is_init(_BoolParameter self) -> bool"""
868 return _IMP_npctransport._BoolParameter_is_init(self)
869 __swig_destroy__ = _IMP_npctransport.delete__BoolParameter
872 _IMP_npctransport._BoolParameter_swigregister(_BoolParameter)
875 r"""make_ordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
876 return _IMP_npctransport.make_ordered_interaction_type(t0, t1)
879 r"""make_unordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
880 return _IMP_npctransport.make_unordered_interaction_type(t0, t1)
884 make_unordered_particle_index_pair(ParticleIndex pi0, ParticleIndex pi1) -> IMP::ParticleIndexPair
885 make_unordered_particle_index_pair(IMP::ParticleIndexPair pip) -> IMP::ParticleIndexPair
887 return _IMP_npctransport.make_unordered_particle_index_pair(*args)
889 r"""Proxy of C++ IMP::npctransport::LinearSoftSpherePairScore class."""
891 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
893 def __init__(self, *args):
894 r"""__init__(LinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> LinearSoftSpherePairScore"""
895 _IMP_npctransport.LinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_LinearSoftSpherePairScore(*args))
897 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
898 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"""
899 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
901 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
902 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"""
903 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
905 def do_get_inputs(self, m, pis):
906 r"""do_get_inputs(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
907 return _IMP_npctransport.LinearSoftSpherePairScore_do_get_inputs(self, m, pis)
910 r"""get_k(LinearSoftSpherePairScore self) -> double"""
911 return _IMP_npctransport.LinearSoftSpherePairScore_get_k(self)
913 def get_version_info(self):
914 r"""get_version_info(LinearSoftSpherePairScore self) -> VersionInfo"""
915 return _IMP_npctransport.LinearSoftSpherePairScore_get_version_info(self)
916 __swig_destroy__ = _IMP_npctransport.delete_LinearSoftSpherePairScore
919 r"""__str__(LinearSoftSpherePairScore self) -> std::string"""
920 return _IMP_npctransport.LinearSoftSpherePairScore___str__(self)
923 r"""__repr__(LinearSoftSpherePairScore self) -> std::string"""
924 return _IMP_npctransport.LinearSoftSpherePairScore___repr__(self)
928 return _object_cast_to_LinearSoftSpherePairScore(o)
932 _IMP_npctransport.LinearSoftSpherePairScore_swigregister(LinearSoftSpherePairScore)
934 r"""Proxy of C++ IMP::npctransport::LinearInteractionPairScore class."""
936 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
938 def __init__(self, *args):
939 r"""__init__(LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr, std::string name="LinearIDPairScore%1%") -> LinearInteractionPairScore"""
940 _IMP_npctransport.LinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_LinearInteractionPairScore(*args))
942 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
943 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"""
944 return _IMP_npctransport.LinearInteractionPairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
946 def evaluate_if_good_index(self, *args):
948 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPair const & p, DerivativeAccumulator da, double max) -> double
949 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
951 return _IMP_npctransport.LinearInteractionPairScore_evaluate_if_good_index(self, *args)
953 def do_get_inputs(self, m, pis):
954 r"""do_get_inputs(LinearInteractionPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
955 return _IMP_npctransport.LinearInteractionPairScore_do_get_inputs(self, m, pis)
957 def get_range_attraction(self):
958 r"""get_range_attraction(LinearInteractionPairScore self) -> double"""
959 return _IMP_npctransport.LinearInteractionPairScore_get_range_attraction(self)
961 def get_k_attraction(self):
962 r"""get_k_attraction(LinearInteractionPairScore self) -> double"""
963 return _IMP_npctransport.LinearInteractionPairScore_get_k_attraction(self)
965 def set_k_attraction(self, k_attr):
966 r"""set_k_attraction(LinearInteractionPairScore self, double k_attr)"""
967 return _IMP_npctransport.LinearInteractionPairScore_set_k_attraction(self, k_attr)
969 def get_k_repulsion(self):
970 r"""get_k_repulsion(LinearInteractionPairScore self) -> double"""
971 return _IMP_npctransport.LinearInteractionPairScore_get_k_repulsion(self)
973 def set_k_repulsion(self, k_rep):
974 r"""set_k_repulsion(LinearInteractionPairScore self, double k_rep)"""
975 return _IMP_npctransport.LinearInteractionPairScore_set_k_repulsion(self, k_rep)
977 def get_version_info(self):
978 r"""get_version_info(LinearInteractionPairScore self) -> VersionInfo"""
979 return _IMP_npctransport.LinearInteractionPairScore_get_version_info(self)
980 __swig_destroy__ = _IMP_npctransport.delete_LinearInteractionPairScore
983 r"""__str__(LinearInteractionPairScore self) -> std::string"""
984 return _IMP_npctransport.LinearInteractionPairScore___str__(self)
987 r"""__repr__(LinearInteractionPairScore self) -> std::string"""
988 return _IMP_npctransport.LinearInteractionPairScore___repr__(self)
992 return _object_cast_to_LinearInteractionPairScore(o)
996 _IMP_npctransport.LinearInteractionPairScore_swigregister(LinearInteractionPairScore)
998 r"""Proxy of C++ IMP::npctransport::LinearWellPairScore class."""
1000 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1002 def __init__(self, *args):
1003 r"""__init__(LinearWellPairScore self, double rest_length_factor, double k, std::string name="LinearIDPairScore%1%") -> LinearWellPairScore"""
1004 _IMP_npctransport.LinearWellPairScore_swiginit(self, _IMP_npctransport.new_LinearWellPairScore(*args))
1006 def set_rest_length_factor(self, rest_length_factor):
1007 r"""set_rest_length_factor(LinearWellPairScore self, double rest_length_factor)"""
1008 return _IMP_npctransport.LinearWellPairScore_set_rest_length_factor(self, rest_length_factor)
1010 def get_rest_length_factor(self):
1011 r"""get_rest_length_factor(LinearWellPairScore self) -> double"""
1012 return _IMP_npctransport.LinearWellPairScore_get_rest_length_factor(self)
1015 r"""set_k(LinearWellPairScore self, double k)"""
1016 return _IMP_npctransport.LinearWellPairScore_set_k(self, k)
1019 r"""get_k(LinearWellPairScore self) -> double"""
1020 return _IMP_npctransport.LinearWellPairScore_get_k(self)
1022 def do_get_inputs(self, m, pis):
1023 r"""do_get_inputs(LinearWellPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1024 return _IMP_npctransport.LinearWellPairScore_do_get_inputs(self, m, pis)
1026 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1027 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"""
1028 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1030 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1031 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"""
1032 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1034 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1035 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"""
1036 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1038 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1039 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"""
1040 return _IMP_npctransport.LinearWellPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1042 def get_version_info(self):
1043 r"""get_version_info(LinearWellPairScore self) -> VersionInfo"""
1044 return _IMP_npctransport.LinearWellPairScore_get_version_info(self)
1045 __swig_destroy__ = _IMP_npctransport.delete_LinearWellPairScore
1048 r"""__str__(LinearWellPairScore self) -> std::string"""
1049 return _IMP_npctransport.LinearWellPairScore___str__(self)
1052 r"""__repr__(LinearWellPairScore self) -> std::string"""
1053 return _IMP_npctransport.LinearWellPairScore___repr__(self)
1057 return _object_cast_to_LinearWellPairScore(o)
1061 _IMP_npctransport.LinearWellPairScore_swigregister(LinearWellPairScore)
1063 r"""Proxy of C++ IMP::npctransport::RelaxingSpring class."""
1065 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1067 def __init__(self, *args):
1069 __init__(RelaxingSpring self) -> RelaxingSpring
1070 __init__(RelaxingSpring self, Model m, ParticleIndex id) -> RelaxingSpring
1071 __init__(RelaxingSpring self, _ParticleAdaptor d) -> RelaxingSpring
1073 _IMP_npctransport.RelaxingSpring_swiginit(self, _IMP_npctransport.new_RelaxingSpring(*args))
1075 def show(self, *args):
1076 r"""show(RelaxingSpring self, _ostream out=std::cout)"""
1077 return _IMP_npctransport.RelaxingSpring_show(self, *args)
1080 def setup_particle(*args):
1082 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1083 setup_particle(_ParticleAdaptor pa, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1085 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
1088 def get_is_setup(*args):
1090 get_is_setup(_ParticleAdaptor p) -> bool
1091 get_is_setup(Model m, ParticleIndex pi) -> bool
1093 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1096 def get_bonded_particle_0_key():
1097 r"""get_bonded_particle_0_key() -> ParticleIndexKey"""
1098 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1101 def get_bonded_particle_1_key():
1102 r"""get_bonded_particle_1_key() -> ParticleIndexKey"""
1103 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1106 def get_equilibrium_rest_length_factor_key():
1107 r"""get_equilibrium_rest_length_factor_key() -> FloatKey"""
1108 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1111 def get_rest_length_key():
1112 r"""get_rest_length_key() -> FloatKey"""
1113 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1116 def get_rest_length_diffusion_coefficient_key():
1117 r"""get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1118 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1120 def get_bonded_particle_0(self):
1121 r"""get_bonded_particle_0(RelaxingSpring self) -> Particle"""
1122 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0(self)
1124 def get_bonded_particle_1(self):
1125 r"""get_bonded_particle_1(RelaxingSpring self) -> Particle"""
1126 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1(self)
1128 def get_bonded_particle_index_0(self):
1129 r"""get_bonded_particle_index_0(RelaxingSpring self) -> ParticleIndex"""
1130 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_0(self)
1132 def get_bonded_particle_index_1(self):
1133 r"""get_bonded_particle_index_1(RelaxingSpring self) -> ParticleIndex"""
1134 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_1(self)
1136 def get_equilibrium_rest_length_factor(self):
1137 r"""get_equilibrium_rest_length_factor(RelaxingSpring self) -> IMP::Float"""
1138 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor(self)
1140 def set_equilibrium_rest_length_factor(self, t):
1141 r"""set_equilibrium_rest_length_factor(RelaxingSpring self, IMP::Float t)"""
1142 return _IMP_npctransport.RelaxingSpring_set_equilibrium_rest_length_factor(self, t)
1144 def get_rest_length(self):
1145 r"""get_rest_length(RelaxingSpring self) -> IMP::Float"""
1146 return _IMP_npctransport.RelaxingSpring_get_rest_length(self)
1148 def set_rest_length(self, t):
1149 r"""set_rest_length(RelaxingSpring self, IMP::Float t)"""
1150 return _IMP_npctransport.RelaxingSpring_set_rest_length(self, t)
1152 def get_rest_length_diffusion_coefficient(self):
1153 r"""get_rest_length_diffusion_coefficient(RelaxingSpring self) -> IMP::Float"""
1154 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient(self)
1156 def set_rest_length_diffusion_coefficient(self, t):
1157 r"""set_rest_length_diffusion_coefficient(RelaxingSpring self, IMP::Float t)"""
1158 return _IMP_npctransport.RelaxingSpring_set_rest_length_diffusion_coefficient(self, t)
1160 def add_to_rest_length_derivative(self, d, da):
1161 r"""add_to_rest_length_derivative(RelaxingSpring self, double d, DerivativeAccumulator da)"""
1162 return _IMP_npctransport.RelaxingSpring_add_to_rest_length_derivative(self, d, da)
1164 def get_rest_length_derivative(self):
1165 r"""get_rest_length_derivative(RelaxingSpring self) -> double"""
1166 return _IMP_npctransport.RelaxingSpring_get_rest_length_derivative(self)
1168 def add_attribute(self, *args):
1170 add_attribute(RelaxingSpring self, FloatKey k, IMP::Float v, bool opt)
1171 add_attribute(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1172 add_attribute(RelaxingSpring self, IntKey a0, IMP::Int a1)
1173 add_attribute(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1174 add_attribute(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1175 add_attribute(RelaxingSpring self, StringKey a0, IMP::String a1)
1176 add_attribute(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1177 add_attribute(RelaxingSpring self, ObjectKey a0, Object a1)
1178 add_attribute(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1179 add_attribute(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1180 add_attribute(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1181 add_attribute(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1183 return _IMP_npctransport.RelaxingSpring_add_attribute(self, *args)
1185 def get_value(self, *args):
1187 get_value(RelaxingSpring self, FloatKey a0) -> IMP::Float
1188 get_value(RelaxingSpring self, IntKey a0) -> IMP::Int
1189 get_value(RelaxingSpring self, FloatsKey a0) -> IMP::Floats
1190 get_value(RelaxingSpring self, IntsKey a0) -> IMP::Ints
1191 get_value(RelaxingSpring self, StringKey a0) -> IMP::String
1192 get_value(RelaxingSpring self, ParticleIndexKey a0) -> Particle
1193 get_value(RelaxingSpring self, ObjectKey a0) -> Object
1194 get_value(RelaxingSpring self, SparseFloatKey a0) -> IMP::Float
1195 get_value(RelaxingSpring self, SparseIntKey a0) -> IMP::Int
1196 get_value(RelaxingSpring self, SparseStringKey a0) -> IMP::String
1197 get_value(RelaxingSpring self, SparseParticleIndexKey a0) -> ParticleIndex
1199 return _IMP_npctransport.RelaxingSpring_get_value(self, *args)
1201 def set_value(self, *args):
1203 set_value(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1204 set_value(RelaxingSpring self, IntKey a0, IMP::Int a1)
1205 set_value(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1206 set_value(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1207 set_value(RelaxingSpring self, StringKey a0, IMP::String a1)
1208 set_value(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1209 set_value(RelaxingSpring self, ObjectKey a0, Object a1)
1210 set_value(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1211 set_value(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1212 set_value(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1213 set_value(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1215 return _IMP_npctransport.RelaxingSpring_set_value(self, *args)
1217 def remove_attribute(self, *args):
1219 remove_attribute(RelaxingSpring self, FloatKey a0)
1220 remove_attribute(RelaxingSpring self, IntKey a0)
1221 remove_attribute(RelaxingSpring self, FloatsKey a0)
1222 remove_attribute(RelaxingSpring self, IntsKey a0)
1223 remove_attribute(RelaxingSpring self, StringKey a0)
1224 remove_attribute(RelaxingSpring self, ParticleIndexKey a0)
1225 remove_attribute(RelaxingSpring self, ObjectKey a0)
1226 remove_attribute(RelaxingSpring self, SparseFloatKey a0)
1227 remove_attribute(RelaxingSpring self, SparseIntKey a0)
1228 remove_attribute(RelaxingSpring self, SparseStringKey a0)
1229 remove_attribute(RelaxingSpring self, SparseParticleIndexKey a0)
1231 return _IMP_npctransport.RelaxingSpring_remove_attribute(self, *args)
1233 def has_attribute(self, *args):
1235 has_attribute(RelaxingSpring self, FloatKey a0) -> bool
1236 has_attribute(RelaxingSpring self, IntKey a0) -> bool
1237 has_attribute(RelaxingSpring self, FloatsKey a0) -> bool
1238 has_attribute(RelaxingSpring self, IntsKey a0) -> bool
1239 has_attribute(RelaxingSpring self, StringKey a0) -> bool
1240 has_attribute(RelaxingSpring self, ParticleIndexKey a0) -> bool
1241 has_attribute(RelaxingSpring self, ObjectKey a0) -> bool
1242 has_attribute(RelaxingSpring self, SparseFloatKey a0) -> bool
1243 has_attribute(RelaxingSpring self, SparseIntKey a0) -> bool
1244 has_attribute(RelaxingSpring self, SparseStringKey a0) -> bool
1245 has_attribute(RelaxingSpring self, SparseParticleIndexKey a0) -> bool
1247 return _IMP_npctransport.RelaxingSpring_has_attribute(self, *args)
1249 def get_derivative(self, a0):
1250 r"""get_derivative(RelaxingSpring self, FloatKey a0) -> double"""
1251 return _IMP_npctransport.RelaxingSpring_get_derivative(self, a0)
1254 r"""get_name(RelaxingSpring self) -> std::string"""
1255 return _IMP_npctransport.RelaxingSpring_get_name(self)
1257 def clear_caches(self):
1258 r"""clear_caches(RelaxingSpring self)"""
1259 return _IMP_npctransport.RelaxingSpring_clear_caches(self)
1261 def set_name(self, a0):
1262 r"""set_name(RelaxingSpring self, std::string a0)"""
1263 return _IMP_npctransport.RelaxingSpring_set_name(self, a0)
1266 r"""set_check_level(RelaxingSpring self, IMP::CheckLevel a0)"""
1267 return _IMP_npctransport.RelaxingSpring_set_check_level(self, a0)
1269 def add_to_derivative(self, a0, a1, a2):
1270 r"""add_to_derivative(RelaxingSpring self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1271 return _IMP_npctransport.RelaxingSpring_add_to_derivative(self, a0, a1, a2)
1273 def set_is_optimized(self, a0, a1):
1274 r"""set_is_optimized(RelaxingSpring self, FloatKey a0, bool a1)"""
1275 return _IMP_npctransport.RelaxingSpring_set_is_optimized(self, a0, a1)
1277 def get_is_optimized(self, a0):
1278 r"""get_is_optimized(RelaxingSpring self, FloatKey a0) -> bool"""
1279 return _IMP_npctransport.RelaxingSpring_get_is_optimized(self, a0)
1282 r"""get_check_level(RelaxingSpring self) -> IMP::CheckLevel"""
1283 return _IMP_npctransport.RelaxingSpring_get_check_level(self)
1285 def __eq__(self, *args):
1287 __eq__(RelaxingSpring self, RelaxingSpring o) -> bool
1288 __eq__(RelaxingSpring self, Particle d) -> bool
1290 return _IMP_npctransport.RelaxingSpring___eq__(self, *args)
1292 def __ne__(self, *args):
1294 __ne__(RelaxingSpring self, RelaxingSpring o) -> bool
1295 __ne__(RelaxingSpring self, Particle d) -> bool
1297 return _IMP_npctransport.RelaxingSpring___ne__(self, *args)
1299 def __le__(self, *args):
1301 __le__(RelaxingSpring self, RelaxingSpring o) -> bool
1302 __le__(RelaxingSpring self, Particle d) -> bool
1304 return _IMP_npctransport.RelaxingSpring___le__(self, *args)
1306 def __lt__(self, *args):
1308 __lt__(RelaxingSpring self, RelaxingSpring o) -> bool
1309 __lt__(RelaxingSpring self, Particle d) -> bool
1311 return _IMP_npctransport.RelaxingSpring___lt__(self, *args)
1313 def __ge__(self, *args):
1315 __ge__(RelaxingSpring self, RelaxingSpring o) -> bool
1316 __ge__(RelaxingSpring self, Particle d) -> bool
1318 return _IMP_npctransport.RelaxingSpring___ge__(self, *args)
1320 def __gt__(self, *args):
1322 __gt__(RelaxingSpring self, RelaxingSpring o) -> bool
1323 __gt__(RelaxingSpring self, Particle d) -> bool
1325 return _IMP_npctransport.RelaxingSpring___gt__(self, *args)
1328 r"""__hash__(RelaxingSpring self) -> std::size_t"""
1329 return _IMP_npctransport.RelaxingSpring___hash__(self)
1332 r"""__str__(RelaxingSpring self) -> std::string"""
1333 return _IMP_npctransport.RelaxingSpring___str__(self)
1336 r"""__repr__(RelaxingSpring self) -> std::string"""
1337 return _IMP_npctransport.RelaxingSpring___repr__(self)
1339 def _get_as_binary(self):
1340 r"""_get_as_binary(RelaxingSpring self) -> PyObject *"""
1341 return _IMP_npctransport.RelaxingSpring__get_as_binary(self)
1343 def _set_from_binary(self, p):
1344 r"""_set_from_binary(RelaxingSpring self, PyObject * p)"""
1345 return _IMP_npctransport.RelaxingSpring__set_from_binary(self, p)
1347 def __getstate__(self):
1348 p = self._get_as_binary()
1349 if len(self.__dict__) > 1:
1350 d = self.__dict__.copy()
1355 def __setstate__(self, p):
1356 if not hasattr(self,
'this'):
1358 if isinstance(p, tuple):
1360 self.__dict__.update(d)
1361 return self._set_from_binary(p)
1363 __swig_destroy__ = _IMP_npctransport.delete_RelaxingSpring
1366 _IMP_npctransport.RelaxingSpring_swigregister(RelaxingSpring)
1368 r"""Proxy of C++ IMP::npctransport::HarmonicSpringSingletonScore class."""
1370 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1372 def __init__(self, *args):
1373 r"""__init__(HarmonicSpringSingletonScore self, double k1, double k2, std::string name="HarmonicSpringSingletonScore%1%") -> HarmonicSpringSingletonScore"""
1374 _IMP_npctransport.HarmonicSpringSingletonScore_swiginit(self, _IMP_npctransport.new_HarmonicSpringSingletonScore(*args))
1376 def set_k1(self, k1):
1377 r"""set_k1(HarmonicSpringSingletonScore self, double k1)"""
1378 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k1(self, k1)
1381 r"""get_k1(HarmonicSpringSingletonScore self) -> double"""
1382 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k1(self)
1384 def set_k2(self, k2):
1385 r"""set_k2(HarmonicSpringSingletonScore self, double k2)"""
1386 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k2(self, k2)
1389 r"""get_k2(HarmonicSpringSingletonScore self) -> double"""
1390 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k2(self)
1392 def do_get_inputs(self, m, pis):
1393 r"""do_get_inputs(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1394 return _IMP_npctransport.HarmonicSpringSingletonScore_do_get_inputs(self, m, pis)
1396 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1397 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"""
1398 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1400 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1401 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"""
1402 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1404 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1405 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"""
1406 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1408 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1409 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"""
1410 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1412 def get_version_info(self):
1413 r"""get_version_info(HarmonicSpringSingletonScore self) -> VersionInfo"""
1414 return _IMP_npctransport.HarmonicSpringSingletonScore_get_version_info(self)
1415 __swig_destroy__ = _IMP_npctransport.delete_HarmonicSpringSingletonScore
1418 r"""__str__(HarmonicSpringSingletonScore self) -> std::string"""
1419 return _IMP_npctransport.HarmonicSpringSingletonScore___str__(self)
1422 r"""__repr__(HarmonicSpringSingletonScore self) -> std::string"""
1423 return _IMP_npctransport.HarmonicSpringSingletonScore___repr__(self)
1427 return _object_cast_to_HarmonicSpringSingletonScore(o)
1431 _IMP_npctransport.HarmonicSpringSingletonScore_swigregister(HarmonicSpringSingletonScore)
1432 class LinearInteraction(object):
1433 r"""Proxy of C++ IMP::npctransport::LinearInteraction class."""
1435 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1436 __repr__ = _swig_repr
1438 def __init__(self, *args):
1440 __init__(LinearInteraction self, double krep, double attr_range, double kattr) -> LinearInteraction
1441 __init__(LinearInteraction self) -> LinearInteraction
1443 _IMP_npctransport.LinearInteraction_swiginit(self, _IMP_npctransport.new_LinearInteraction(*args))
1445 def show(self, *args):
1446 r"""show(LinearInteraction self, _ostream out=std::cout)"""
1447 return _IMP_npctransport.LinearInteraction_show(self, *args)
1448 __swig_destroy__ = _IMP_npctransport.delete_LinearInteraction
1451 _IMP_npctransport.LinearInteraction_swigregister(LinearInteraction)
1453 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearSoftSphereScore > class."""
1455 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1456 __repr__ = _swig_repr
1458 def __init__(self, *args):
1460 __init__(_DistancePairScoreForLinearSoftSphere self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearSoftSphere
1461 __init__(_DistancePairScoreForLinearSoftSphere self) -> _DistancePairScoreForLinearSoftSphere
1463 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearSoftSphere(*args))
1465 def do_get_inputs(self, m, pis):
1466 r"""do_get_inputs(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1467 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_do_get_inputs(self, m, pis)
1469 def get_score_functor(self, *args):
1471 get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound >
1472 get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > const &
1474 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_score_functor(self, *args)
1476 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1477 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"""
1478 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1480 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1481 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"""
1482 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1484 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1485 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"""
1486 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1488 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1489 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"""
1490 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1492 def get_version_info(self):
1493 r"""get_version_info(_DistancePairScoreForLinearSoftSphere self) -> VersionInfo"""
1494 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_version_info(self)
1495 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearSoftSphere
1498 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swigregister(_DistancePairScoreForLinearSoftSphere)
1499 class _DistancePairScoreForLinearInteraction(
IMP.PairScore):
1500 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearInteractionScore > class."""
1502 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1503 __repr__ = _swig_repr
1505 def __init__(self, *args):
1507 __init__(_DistancePairScoreForLinearInteraction self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearInteraction
1508 __init__(_DistancePairScoreForLinearInteraction self) -> _DistancePairScoreForLinearInteraction
1510 _IMP_npctransport._DistancePairScoreForLinearInteraction_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearInteraction(*args))
1512 def do_get_inputs(self, m, pis):
1513 r"""do_get_inputs(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1514 return _IMP_npctransport._DistancePairScoreForLinearInteraction_do_get_inputs(self, m, pis)
1516 def get_score_functor(self, *args):
1518 get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction >
1519 get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > const &
1521 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_score_functor(self, *args)
1523 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1524 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"""
1525 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1527 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1528 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"""
1529 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1531 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1532 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"""
1533 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1535 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1536 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"""
1537 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1539 def get_version_info(self):
1540 r"""get_version_info(_DistancePairScoreForLinearInteraction self) -> VersionInfo"""
1541 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_version_info(self)
1542 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearInteraction
1545 _IMP_npctransport._DistancePairScoreForLinearInteraction_swigregister(_DistancePairScoreForLinearInteraction)
1546 class FunctorLinearSoftSpherePairScore(_DistancePairScoreForLinearSoftSphere):
1547 r"""Proxy of C++ IMP::npctransport::FunctorLinearSoftSpherePairScore class."""
1549 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1551 def __init__(self, *args):
1552 r"""__init__(FunctorLinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> FunctorLinearSoftSpherePairScore"""
1553 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearSoftSpherePairScore(*args))
1554 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearSoftSpherePairScore
1557 r"""__str__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1558 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___str__(self)
1561 r"""__repr__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1562 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___repr__(self)
1566 return _object_cast_to_FunctorLinearSoftSpherePairScore(o)
1570 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swigregister(FunctorLinearSoftSpherePairScore)
1571 class FunctorLinearInteractionPairScore(_DistancePairScoreForLinearInteraction):
1572 r"""Proxy of C++ IMP::npctransport::FunctorLinearInteractionPairScore class."""
1574 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1576 def __init__(self, *args):
1577 r"""__init__(FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr, std::string name="LinearSSPairScore%1%") -> FunctorLinearInteractionPairScore"""
1578 _IMP_npctransport.FunctorLinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearInteractionPairScore(*args))
1579 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearInteractionPairScore
1582 r"""__str__(FunctorLinearInteractionPairScore self) -> std::string"""
1583 return _IMP_npctransport.FunctorLinearInteractionPairScore___str__(self)
1586 r"""__repr__(FunctorLinearInteractionPairScore self) -> std::string"""
1587 return _IMP_npctransport.FunctorLinearInteractionPairScore___repr__(self)
1591 return _object_cast_to_FunctorLinearInteractionPairScore(o)
1595 _IMP_npctransport.FunctorLinearInteractionPairScore_swigregister(FunctorLinearInteractionPairScore)
1597 r"""Proxy of C++ IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport class."""
1599 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1601 def __init__(self, *args):
1602 r"""__init__(BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name="BrownianDynamicsTAMDWithSlabSupport%1%", double wave_factor=1.0) -> BrownianDynamicsTAMDWithSlabSupport"""
1603 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swiginit(self, _IMP_npctransport.new_BrownianDynamicsTAMDWithSlabSupport(*args))
1606 r"""__str__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1607 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___str__(self)
1610 r"""__repr__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1611 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___repr__(self)
1615 return _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
1617 __swig_destroy__ = _IMP_npctransport.delete_BrownianDynamicsTAMDWithSlabSupport
1620 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swigregister(BrownianDynamicsTAMDWithSlabSupport)
1621 class SitesPairScoreParameters(object):
1622 r"""Proxy of C++ IMP::npctransport::SitesPairScoreParameters class."""
1624 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1625 r = property(_IMP_npctransport.SitesPairScoreParameters_r_get, _IMP_npctransport.SitesPairScoreParameters_r_set, doc=
r"""r : double""")
1626 k = property(_IMP_npctransport.SitesPairScoreParameters_k_get, _IMP_npctransport.SitesPairScoreParameters_k_set, doc=
r"""k : double""")
1627 r2 = property(_IMP_npctransport.SitesPairScoreParameters_r2_get, _IMP_npctransport.SitesPairScoreParameters_r2_set, doc=
r"""r2 : double""")
1628 kr = property(_IMP_npctransport.SitesPairScoreParameters_kr_get, _IMP_npctransport.SitesPairScoreParameters_kr_set, doc=
r"""kr : double""")
1629 kr2 = property(_IMP_npctransport.SitesPairScoreParameters_kr2_get, _IMP_npctransport.SitesPairScoreParameters_kr2_set, doc=
r"""kr2 : double""")
1630 cosSigma1_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_set, doc=
r"""cosSigma1_max : double""")
1631 cosSigma2_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_set, doc=
r"""cosSigma2_max : double""")
1632 is_orientational = property(_IMP_npctransport.SitesPairScoreParameters_is_orientational_get, _IMP_npctransport.SitesPairScoreParameters_is_orientational_set, doc=
r"""is_orientational : bool""")
1634 def __init__(self, range, k_coefficient, sigma1_max_deg=0.0, sigma2_max_deg=0.0):
1635 r"""__init__(SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0) -> SitesPairScoreParameters"""
1636 _IMP_npctransport.SitesPairScoreParameters_swiginit(self, _IMP_npctransport.new_SitesPairScoreParameters(range, k_coefficient, sigma1_max_deg, sigma2_max_deg))
1638 def set_range(self, r):
1639 r"""set_range(SitesPairScoreParameters self, double r)"""
1640 return _IMP_npctransport.SitesPairScoreParameters_set_range(self, r)
1642 def set_force_coefficient(self, k):
1643 r"""set_force_coefficient(SitesPairScoreParameters self, double k)"""
1644 return _IMP_npctransport.SitesPairScoreParameters_set_force_coefficient(self, k)
1646 def set_sigma1_max(self, sigma1_max_deg):
1647 r"""set_sigma1_max(SitesPairScoreParameters self, double sigma1_max_deg)"""
1648 return _IMP_npctransport.SitesPairScoreParameters_set_sigma1_max(self, sigma1_max_deg)
1650 def set_sigma2_max(self, sigma2_max_deg):
1651 r"""set_sigma2_max(SitesPairScoreParameters self, double sigma2_max_deg)"""
1652 return _IMP_npctransport.SitesPairScoreParameters_set_sigma2_max(self, sigma2_max_deg)
1654 def update_is_orientational(self):
1655 r"""update_is_orientational(SitesPairScoreParameters self)"""
1656 return _IMP_npctransport.SitesPairScoreParameters_update_is_orientational(self)
1658 def show(self, *args):
1659 r"""show(SitesPairScoreParameters self, _ostream out=std::cout)"""
1660 return _IMP_npctransport.SitesPairScoreParameters_show(self, *args)
1663 r"""__str__(SitesPairScoreParameters self) -> std::string"""
1664 return _IMP_npctransport.SitesPairScoreParameters___str__(self)
1667 r"""__repr__(SitesPairScoreParameters self) -> std::string"""
1668 return _IMP_npctransport.SitesPairScoreParameters___repr__(self)
1669 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScoreParameters
1672 _IMP_npctransport.SitesPairScoreParameters_swigregister(SitesPairScoreParameters)
1674 r"""Proxy of C++ IMP::npctransport::SitesGeometry class."""
1676 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1678 def __init__(self, p, sites):
1679 r"""__init__(SitesGeometry self, Particle p, IMP::algebra::Sphere3Ds sites) -> SitesGeometry"""
1680 _IMP_npctransport.SitesGeometry_swiginit(self, _IMP_npctransport.new_SitesGeometry(p, sites))
1681 __swig_destroy__ = _IMP_npctransport.delete_SitesGeometry
1684 r"""__str__(SitesGeometry self) -> std::string"""
1685 return _IMP_npctransport.SitesGeometry___str__(self)
1688 r"""__repr__(SitesGeometry self) -> std::string"""
1689 return _IMP_npctransport.SitesGeometry___repr__(self)
1693 return _object_cast_to_SitesGeometry(o)
1697 _IMP_npctransport.SitesGeometry_swigregister(SitesGeometry)
1699 r"""Proxy of C++ IMP::npctransport::TypedSitesGeometry class."""
1701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1703 def __init__(self, sc):
1704 r"""__init__(TypedSitesGeometry self, _SingletonContainerAdaptor sc) -> TypedSitesGeometry"""
1705 _IMP_npctransport.TypedSitesGeometry_swiginit(self, _IMP_npctransport.new_TypedSitesGeometry(sc))
1707 def set_sites(self, t, s):
1708 r"""set_sites(TypedSitesGeometry self, ParticleType t, IMP::algebra::Sphere3Ds s)"""
1709 return _IMP_npctransport.TypedSitesGeometry_set_sites(self, t, s)
1711 def get_version_info(self):
1712 r"""get_version_info(TypedSitesGeometry self) -> VersionInfo"""
1713 return _IMP_npctransport.TypedSitesGeometry_get_version_info(self)
1714 __swig_destroy__ = _IMP_npctransport.delete_TypedSitesGeometry
1717 r"""__str__(TypedSitesGeometry self) -> std::string"""
1718 return _IMP_npctransport.TypedSitesGeometry___str__(self)
1721 r"""__repr__(TypedSitesGeometry self) -> std::string"""
1722 return _IMP_npctransport.TypedSitesGeometry___repr__(self)
1726 return _object_cast_to_TypedSitesGeometry(o)
1730 _IMP_npctransport.TypedSitesGeometry_swigregister(TypedSitesGeometry)
1731 class SitesPairScore(LinearInteractionPairScore):
1732 r"""Proxy of C++ IMP::npctransport::SitesPairScore class."""
1734 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1736 def __init__(self, range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1):
1737 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"""
1738 _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))
1740 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1741 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"""
1742 return _IMP_npctransport.SitesPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1744 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1745 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"""
1746 return _IMP_npctransport.SitesPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1748 def get_sites_range(self):
1749 r"""get_sites_range(SitesPairScore self) -> double"""
1750 return _IMP_npctransport.SitesPairScore_get_sites_range(self)
1752 def get_sites_k(self):
1753 r"""get_sites_k(SitesPairScore self) -> double"""
1754 return _IMP_npctransport.SitesPairScore_get_sites_k(self)
1756 def get_parameters(self):
1757 r"""get_parameters(SitesPairScore self) -> SitesPairScoreParameters"""
1758 return _IMP_npctransport.SitesPairScore_get_parameters(self)
1759 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScore
1761 def set_sites(self, sites0, sites1):
1762 r"""set_sites(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1)"""
1763 return _IMP_npctransport.SitesPairScore_set_sites(self, sites0, sites1)
1765 def set_sites0(self, sites0):
1766 r"""set_sites0(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0)"""
1767 return _IMP_npctransport.SitesPairScore_set_sites0(self, sites0)
1769 def set_sites1(self, sites1):
1770 r"""set_sites1(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites1)"""
1771 return _IMP_npctransport.SitesPairScore_set_sites1(self, sites1)
1774 r"""__str__(SitesPairScore self) -> std::string"""
1775 return _IMP_npctransport.SitesPairScore___str__(self)
1778 r"""__repr__(SitesPairScore self) -> std::string"""
1779 return _IMP_npctransport.SitesPairScore___repr__(self)
1783 return _object_cast_to_SitesPairScore(o)
1787 _IMP_npctransport.SitesPairScore_swigregister(SitesPairScore)
1789 r"""Proxy of C++ IMP::npctransport::FGChain class."""
1791 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1793 def __init__(self, *args):
1794 r"""__init__(FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0, std::string name="chain %1%") -> FGChain"""
1795 _IMP_npctransport.FGChain_swiginit(self, _IMP_npctransport.new_FGChain(*args))
1798 r"""get_root(FGChain self) -> Hierarchy"""
1799 return _IMP_npctransport.FGChain_get_root(self)
1801 def get_beads(self):
1802 r"""get_beads(FGChain self) -> IMP::ParticlesTemp"""
1803 return _IMP_npctransport.FGChain_get_beads(self)
1805 def get_bead(self, i):
1806 r"""get_bead(FGChain self, unsigned int i) -> Particle"""
1807 return _IMP_npctransport.FGChain_get_bead(self, i)
1809 def get_bead_index(self, i):
1810 r"""get_bead_index(FGChain self, unsigned int i) -> ParticleIndex"""
1811 return _IMP_npctransport.FGChain_get_bead_index(self, i)
1813 def get_number_of_beads(self):
1814 r"""get_number_of_beads(FGChain self) -> unsigned int"""
1815 return _IMP_npctransport.FGChain_get_number_of_beads(self)
1817 def get_chain_restraints(self, scoring_manager):
1818 r"""get_chain_restraints(FGChain self, Scoring scoring_manager) -> IMP::Restraints"""
1819 return _IMP_npctransport.FGChain_get_chain_restraints(self, scoring_manager)
1821 def set_rest_length_factor(self, rlf):
1822 r"""set_rest_length_factor(FGChain self, double rlf)"""
1823 return _IMP_npctransport.FGChain_set_rest_length_factor(self, rlf)
1825 def set_backbone_k(self, k):
1826 r"""set_backbone_k(FGChain self, double k)"""
1827 return _IMP_npctransport.FGChain_set_backbone_k(self, k)
1829 def get_rest_length_factor(self):
1830 r"""get_rest_length_factor(FGChain self) -> double"""
1831 return _IMP_npctransport.FGChain_get_rest_length_factor(self)
1833 def get_backbone_k(self):
1834 r"""get_backbone_k(FGChain self) -> double"""
1835 return _IMP_npctransport.FGChain_get_backbone_k(self)
1837 def get_version_info(self):
1838 r"""get_version_info(FGChain self) -> VersionInfo"""
1839 return _IMP_npctransport.FGChain_get_version_info(self)
1840 __swig_destroy__ = _IMP_npctransport.delete_FGChain
1843 r"""__str__(FGChain self) -> std::string"""
1844 return _IMP_npctransport.FGChain___str__(self)
1847 r"""__repr__(FGChain self) -> std::string"""
1848 return _IMP_npctransport.FGChain___repr__(self)
1852 return _object_cast_to_FGChain(o)
1856 _IMP_npctransport.FGChain_swigregister(FGChain)
1859 r"""create_fg_chain(SimulationData sd, Hierarchy parent, ::npctransport_proto::Assignment_FGAssignment const & fg_data, Color c) -> FGChain"""
1860 return _IMP_npctransport.create_fg_chain(sd, parent, fg_data, c)
1864 get_fg_chain(Hierarchy root) -> FGChain
1865 get_fg_chain(Particle p_root) -> FGChain
1867 return _IMP_npctransport.get_fg_chain(*args)
1869 r"""Proxy of C++ IMP::npctransport::Scoring class."""
1871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1873 def __init__(self, owner_sd, data):
1874 r"""__init__(Scoring self, SimulationData owner_sd, ::npctransport_proto::Assignment const & data) -> Scoring"""
1875 _IMP_npctransport.Scoring_swiginit(self, _IMP_npctransport.new_Scoring(owner_sd, data))
1877 def get_scoring_function(self, force_update=False):
1878 r"""get_scoring_function(Scoring self, bool force_update=False) -> ScoringFunction"""
1879 return _IMP_npctransport.Scoring_get_scoring_function(self, force_update)
1881 def get_scoring_function_restraints(self, force_update=False):
1882 r"""get_scoring_function_restraints(Scoring self, bool force_update=False) -> IMP::Restraints"""
1883 return _IMP_npctransport.Scoring_get_scoring_function_restraints(self, force_update)
1885 def get_custom_scoring_function(self, *args):
1887 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
1888 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
1890 return _IMP_npctransport.Scoring_get_custom_scoring_function(self, *args)
1892 def get_close_beads_container(self, update=False):
1893 r"""get_close_beads_container(Scoring self, bool update=False) -> PairContainer"""
1894 return _IMP_npctransport.Scoring_get_close_beads_container(self, update)
1896 def get_predicates_pair_restraint(self, update=False):
1897 r"""get_predicates_pair_restraint(Scoring self, bool update=False) -> PredicatePairsRestraint"""
1898 return _IMP_npctransport.Scoring_get_predicates_pair_restraint(self, update)
1900 def get_bounding_volume_restraint(self, update=False):
1901 r"""get_bounding_volume_restraint(Scoring self, bool update=False) -> Restraint"""
1902 return _IMP_npctransport.Scoring_get_bounding_volume_restraint(self, update)
1904 def get_slab_restraint(self, update=False):
1905 r"""get_slab_restraint(Scoring self, bool update=False) -> Restraint"""
1906 return _IMP_npctransport.Scoring_get_slab_restraint(self, update)
1908 def add_interaction(self, idata):
1909 r"""add_interaction(Scoring self, ::npctransport_proto::Assignment_InteractionAssignment const & idata)"""
1910 return _IMP_npctransport.Scoring_add_interaction(self, idata)
1912 def create_close_beads_container(self, *args):
1914 create_close_beads_container(Scoring self, _SingletonContainerAdaptor non_optimiziable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1915 create_close_beads_container(Scoring self, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1917 return _IMP_npctransport.Scoring_create_close_beads_container(self, *args)
1919 def create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on=True):
1920 r"""create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs, bool is_attr_interactions_on=True) -> PredicatePairsRestraint"""
1921 return _IMP_npctransport.Scoring_create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on)
1923 def create_bounding_volume_restraint(self, beads):
1924 r"""create_bounding_volume_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1925 return _IMP_npctransport.Scoring_create_bounding_volume_restraint(self, beads)
1927 def create_slab_restraint(self, beads):
1928 r"""create_slab_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1929 return _IMP_npctransport.Scoring_create_slab_restraint(self, beads)
1931 def get_model(self):
1932 r"""get_model(Scoring self) -> Model"""
1933 return _IMP_npctransport.Scoring_get_model(self)
1936 r"""get_sd(Scoring self) -> SimulationData"""
1937 return _IMP_npctransport.Scoring_get_sd(self)
1939 def get_has_bounding_box(self):
1940 r"""get_has_bounding_box(Scoring self) -> bool"""
1941 return _IMP_npctransport.Scoring_get_has_bounding_box(self)
1943 def get_has_bounding_sphere(self):
1944 r"""get_has_bounding_sphere(Scoring self) -> bool"""
1945 return _IMP_npctransport.Scoring_get_has_bounding_sphere(self)
1947 def get_has_bounding_volume(self):
1948 r"""get_has_bounding_volume(Scoring self) -> bool"""
1949 return _IMP_npctransport.Scoring_get_has_bounding_volume(self)
1951 def get_default_backbone_k(self):
1952 r"""get_default_backbone_k(Scoring self) -> double"""
1953 return _IMP_npctransport.Scoring_get_default_backbone_k(self)
1955 def get_is_backbone_harmonic(self):
1956 r"""get_is_backbone_harmonic(Scoring self) -> bool"""
1957 return _IMP_npctransport.Scoring_get_is_backbone_harmonic(self)
1959 def get_excluded_volume_k(self):
1960 r"""get_excluded_volume_k(Scoring self) -> double"""
1961 return _IMP_npctransport.Scoring_get_excluded_volume_k(self)
1963 def get_interaction_k(self):
1964 r"""get_interaction_k(Scoring self) -> double"""
1965 return _IMP_npctransport.Scoring_get_interaction_k(self)
1967 def get_predicate_pair_score(self, *args):
1969 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1970 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1972 return _IMP_npctransport.Scoring_get_predicate_pair_score(self, *args)
1974 def get_interaction_range_for(self, t1, t2, site_specific=True, non_specific=False):
1975 r"""get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True, bool non_specific=False) -> double"""
1976 return _IMP_npctransport.Scoring_get_interaction_range_for(self, t1, t2, site_specific, non_specific)
1978 def get_ordered_type_pair_predicate(self):
1979 r"""get_ordered_type_pair_predicate(Scoring self) -> OrderedTypePairPredicate"""
1980 return _IMP_npctransport.Scoring_get_ordered_type_pair_predicate(self)
1982 def add_chain_restraints(self, chain):
1983 r"""add_chain_restraints(Scoring self, FGChain chain)"""
1984 return _IMP_npctransport.Scoring_add_chain_restraints(self, chain)
1986 def get_chain_restraints_on(self, beads):
1987 r"""get_chain_restraints_on(Scoring self, _SingletonContainerAdaptor beads) -> IMP::Restraints"""
1988 return _IMP_npctransport.Scoring_get_chain_restraints_on(self, beads)
1990 def get_all_chain_restraints(self):
1991 r"""get_all_chain_restraints(Scoring self) -> IMP::Restraints"""
1992 return _IMP_npctransport.Scoring_get_all_chain_restraints(self)
1994 def remove_particle_type(self, pt):
1995 r"""remove_particle_type(Scoring self, ParticleType pt)"""
1996 return _IMP_npctransport.Scoring_remove_particle_type(self, pt)
1998 def add_z_bias_restraint(self, *args):
2000 add_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k, double z)
2001 add_z_bias_restraint(Scoring self, Particle p, double k, double z)
2003 return _IMP_npctransport.Scoring_add_z_bias_restraint(self, *args)
2005 def get_z_bias_restraints(self):
2006 r"""get_z_bias_restraints(Scoring self) -> IMP::Restraints"""
2007 return _IMP_npctransport.Scoring_get_z_bias_restraints(self)
2009 def create_z_bias_restraint(self, ps, k, z):
2010 r"""create_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k, double z) -> Restraint"""
2011 return _IMP_npctransport.Scoring_create_z_bias_restraint(self, ps, k, z)
2013 def add_custom_restraint(self, r):
2014 r"""add_custom_restraint(Scoring self, Restraint r)"""
2015 return _IMP_npctransport.Scoring_add_custom_restraint(self, r)
2017 def add_custom_restraints(self, R):
2018 r"""add_custom_restraints(Scoring self, IMP::Restraints R)"""
2019 return _IMP_npctransport.Scoring_add_custom_restraints(self, R)
2021 def clear_custom_restraints(self):
2022 r"""clear_custom_restraints(Scoring self)"""
2023 return _IMP_npctransport.Scoring_clear_custom_restraints(self)
2025 def get_custom_restraints(self):
2026 r"""get_custom_restraints(Scoring self) -> IMP::Restraints"""
2027 return _IMP_npctransport.Scoring_get_custom_restraints(self)
2029 def add_restrained_anchor_bead(self, p):
2030 r"""add_restrained_anchor_bead(Scoring self, Particle p)"""
2031 return _IMP_npctransport.Scoring_add_restrained_anchor_bead(self, p)
2033 def get_pore_radius_restraint(self):
2034 r"""get_pore_radius_restraint(Scoring self) -> Restraint"""
2035 return _IMP_npctransport.Scoring_get_pore_radius_restraint(self)
2037 def get_range(self):
2038 r"""get_range(Scoring self) -> double"""
2039 return _IMP_npctransport.Scoring_get_range(self)
2041 def set_interaction_range_factor(self, type, value):
2042 r"""set_interaction_range_factor(Scoring self, ParticleType type, double value)"""
2043 return _IMP_npctransport.Scoring_set_interaction_range_factor(self, type, value)
2045 def set_interaction_k_factor(self, type, value):
2046 r"""set_interaction_k_factor(Scoring self, ParticleType type, double value)"""
2047 return _IMP_npctransport.Scoring_set_interaction_k_factor(self, type, value)
2049 def get_version_info(self):
2050 r"""get_version_info(Scoring self) -> VersionInfo"""
2051 return _IMP_npctransport.Scoring_get_version_info(self)
2052 __swig_destroy__ = _IMP_npctransport.delete_Scoring
2055 r"""__str__(Scoring self) -> std::string"""
2056 return _IMP_npctransport.Scoring___str__(self)
2059 r"""__repr__(Scoring self) -> std::string"""
2060 return _IMP_npctransport.Scoring___repr__(self)
2064 return _object_cast_to_Scoring(o)
2068 _IMP_npctransport.Scoring_swigregister(Scoring)
2069 class SimpleTimer(object):
2070 r"""Proxy of C++ IMP::internal::SimpleTimer class."""
2072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2073 __repr__ = _swig_repr
2076 r"""__init__(SimpleTimer self) -> SimpleTimer"""
2077 _IMP_npctransport.SimpleTimer_swiginit(self, _IMP_npctransport.new_SimpleTimer())
2078 __swig_destroy__ = _IMP_npctransport.delete_SimpleTimer
2081 _IMP_npctransport.SimpleTimer_swigregister(SimpleTimer)
2083 r"""Proxy of C++ IMP::npctransport::Statistics class."""
2085 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2087 def remove_particle_type(self, pt):
2088 r"""remove_particle_type(Statistics self, ParticleType pt)"""
2089 return _IMP_npctransport.Statistics_remove_particle_type(self, pt)
2091 def __init__(self, sd, statistics_interval_frames, output_file_name):
2092 r"""__init__(Statistics self, SimulationData sd, unsigned int statistics_interval_frames, std::string output_file_name) -> Statistics"""
2093 _IMP_npctransport.Statistics_swiginit(self, _IMP_npctransport.new_Statistics(sd, statistics_interval_frames, output_file_name))
2095 def add_fg_chain_stats(self, fg_chain):
2096 r"""add_fg_chain_stats(Statistics self, FGChain fg_chain)"""
2097 return _IMP_npctransport.Statistics_add_fg_chain_stats(self, fg_chain)
2099 def add_floater_stats(self, p):
2100 r"""add_floater_stats(Statistics self, Particle p)"""
2101 return _IMP_npctransport.Statistics_add_floater_stats(self, p)
2103 def add_interaction_stats(self, type0, type1):
2104 r"""add_interaction_stats(Statistics self, ParticleType type0, ParticleType type1)"""
2105 return _IMP_npctransport.Statistics_add_interaction_stats(self, type0, type1)
2107 def add_optimizer_states(self, o=None):
2108 r"""add_optimizer_states(Statistics self, Optimizer o=None) -> IMP::OptimizerStates"""
2109 return _IMP_npctransport.Statistics_add_optimizer_states(self, o)
2111 def update_particle_type_zr_distribution_map(self, p):
2112 r"""update_particle_type_zr_distribution_map(Statistics self, Particle p)"""
2113 return _IMP_npctransport.Statistics_update_particle_type_zr_distribution_map(self, p)
2115 def update_particle_type_xyz_distribution_map(self, p):
2116 r"""update_particle_type_xyz_distribution_map(Statistics self, Particle p)"""
2117 return _IMP_npctransport.Statistics_update_particle_type_xyz_distribution_map(self, p)
2119 def update(self, timer, nf_new=1, force_full_output=False):
2120 r"""update(Statistics self, SimpleTimer timer, unsigned int nf_new=1, bool force_full_output=False)"""
2121 return _IMP_npctransport.Statistics_update(self, timer, nf_new, force_full_output)
2123 def reset_statistics_optimizer_states(self):
2124 r"""reset_statistics_optimizer_states(Statistics self)"""
2125 return _IMP_npctransport.Statistics_reset_statistics_optimizer_states(self)
2127 def set_interrupted(self, tf):
2128 r"""set_interrupted(Statistics self, bool tf)"""
2129 return _IMP_npctransport.Statistics_set_interrupted(self, tf)
2131 def get_model(self):
2132 r"""get_model(Statistics self) -> Model"""
2133 return _IMP_npctransport.Statistics_get_model(self)
2136 r"""get_sd(Statistics self) -> SimulationData"""
2137 return _IMP_npctransport.Statistics_get_sd(self)
2139 def get_is_activated(self):
2140 r"""get_is_activated(Statistics self) -> bool"""
2141 return _IMP_npctransport.Statistics_get_is_activated(self)
2143 def get_output_file_name(self):
2144 r"""get_output_file_name(Statistics self) -> std::string"""
2145 return _IMP_npctransport.Statistics_get_output_file_name(self)
2147 def get_version_info(self):
2148 r"""get_version_info(Statistics self) -> VersionInfo"""
2149 return _IMP_npctransport.Statistics_get_version_info(self)
2150 __swig_destroy__ = _IMP_npctransport.delete_Statistics
2153 r"""__str__(Statistics self) -> std::string"""
2154 return _IMP_npctransport.Statistics___str__(self)
2157 r"""__repr__(Statistics self) -> std::string"""
2158 return _IMP_npctransport.Statistics___repr__(self)
2162 return _object_cast_to_Statistics(o)
2166 _IMP_npctransport.Statistics_swigregister(Statistics)
2168 def create_boost_timer():
2169 r"""create_boost_timer() -> SimpleTimer"""
2170 return _IMP_npctransport.create_boost_timer()
2171 IMPNPCTRANSPORT_VERSION = _IMP_npctransport.IMPNPCTRANSPORT_VERSION
2174 r"""Proxy of C++ IMP::npctransport::SimulationData class."""
2176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2178 def get_output_npctransport_version(self):
2179 r"""get_output_npctransport_version(SimulationData self) -> double"""
2180 return _IMP_npctransport.SimulationData_get_output_npctransport_version(self)
2182 def get_range(self):
2183 r"""get_range(SimulationData self) -> double"""
2184 return _IMP_npctransport.SimulationData_get_range(self)
2186 def get_output_statistics_interval_frames(self):
2187 r"""get_output_statistics_interval_frames(SimulationData self) -> int"""
2188 return _IMP_npctransport.SimulationData_get_output_statistics_interval_frames(self)
2190 def get_full_output_statistics_interval_factor(self):
2191 r"""get_full_output_statistics_interval_factor(SimulationData self) -> int"""
2192 return _IMP_npctransport.SimulationData_get_full_output_statistics_interval_factor(self)
2194 def get_is_multiple_hdf5s(self):
2195 r"""get_is_multiple_hdf5s(SimulationData self) -> bool"""
2196 return _IMP_npctransport.SimulationData_get_is_multiple_hdf5s(self)
2198 def get_is_exclude_floaters_from_slab_initially(self):
2199 r"""get_is_exclude_floaters_from_slab_initially(SimulationData self) -> bool"""
2200 return _IMP_npctransport.SimulationData_get_is_exclude_floaters_from_slab_initially(self)
2202 def get_are_floaters_on_one_slab_side(self):
2203 r"""get_are_floaters_on_one_slab_side(SimulationData self) -> bool"""
2204 return _IMP_npctransport.SimulationData_get_are_floaters_on_one_slab_side(self)
2206 def get_is_xyz_hist_stats(self):
2207 r"""get_is_xyz_hist_stats(SimulationData self) -> bool"""
2208 return _IMP_npctransport.SimulationData_get_is_xyz_hist_stats(self)
2210 def get_xyz_stats_crop_factor(self):
2211 r"""get_xyz_stats_crop_factor(SimulationData self) -> double"""
2212 return _IMP_npctransport.SimulationData_get_xyz_stats_crop_factor(self)
2214 def get_xyz_stats_voxel_size_A(self):
2215 r"""get_xyz_stats_voxel_size_A(SimulationData self) -> double"""
2216 return _IMP_npctransport.SimulationData_get_xyz_stats_voxel_size_A(self)
2218 def get_xyz_stats_max_box_size_A(self):
2219 r"""get_xyz_stats_max_box_size_A(SimulationData self) -> double"""
2220 return _IMP_npctransport.SimulationData_get_xyz_stats_max_box_size_A(self)
2222 def get_angular_d_factor(self):
2223 r"""get_angular_d_factor(SimulationData self) -> double"""
2224 return _IMP_npctransport.SimulationData_get_angular_d_factor(self)
2226 def __init__(self, *args):
2227 r"""__init__(SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name=std::string(), std::string new_output_file="") -> SimulationData"""
2228 _IMP_npctransport.SimulationData_swiginit(self, _IMP_npctransport.new_SimulationData(*args))
2230 def get_model(self):
2231 r"""get_model(SimulationData self) -> Model"""
2232 return _IMP_npctransport.SimulationData_get_model(self)
2234 def get_scoring(self):
2235 r"""get_scoring(SimulationData self) -> Scoring"""
2236 return _IMP_npctransport.SimulationData_get_scoring(self)
2238 def get_statistics(self):
2239 r"""get_statistics(SimulationData self) -> Statistics"""
2240 return _IMP_npctransport.SimulationData_get_statistics(self)
2242 def get_bd(self, recreate=False):
2243 r"""get_bd(SimulationData self, bool recreate=False) -> BrownianDynamics"""
2244 return _IMP_npctransport.SimulationData_get_bd(self, recreate)
2246 def activate_statistics(self):
2247 r"""activate_statistics(SimulationData self)"""
2248 return _IMP_npctransport.SimulationData_activate_statistics(self)
2250 def get_statistics_fraction(self):
2251 r"""get_statistics_fraction(SimulationData self) -> double"""
2252 return _IMP_npctransport.SimulationData_get_statistics_fraction(self)
2254 def get_is_fg_bead(self, *args):
2256 get_is_fg_bead(SimulationData self, ParticleIndex pi) -> bool
2257 get_is_fg_bead(SimulationData self, ParticleType pt) -> bool
2259 return _IMP_npctransport.SimulationData_get_is_fg_bead(self, *args)
2261 def get_is_fg_chain(self, *args):
2263 get_is_fg_chain(SimulationData self, ParticleIndex pi) -> bool
2264 get_is_fg_chain(SimulationData self, ParticleType pt) -> bool
2266 return _IMP_npctransport.SimulationData_get_is_fg_chain(self, *args)
2268 def get_fg_bead_types(self):
2269 r"""get_fg_bead_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2270 return _IMP_npctransport.SimulationData_get_fg_bead_types(self)
2272 def get_fg_chain_types(self):
2273 r"""get_fg_chain_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2274 return _IMP_npctransport.SimulationData_get_fg_chain_types(self)
2276 def get_floater_types(self):
2277 r"""get_floater_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2278 return _IMP_npctransport.SimulationData_get_floater_types(self)
2280 def get_obstacle_types(self):
2281 r"""get_obstacle_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2282 return _IMP_npctransport.SimulationData_get_obstacle_types(self)
2284 def get_fg_chain_roots(self):
2285 r"""get_fg_chain_roots(SimulationData self) -> IMP::atom::Hierarchies"""
2286 return _IMP_npctransport.SimulationData_get_fg_chain_roots(self)
2288 def get_fg_chains(self):
2289 r"""get_fg_chains(SimulationData self) -> IMP::atom::Hierarchies"""
2290 return _IMP_npctransport.SimulationData_get_fg_chains(self)
2292 def get_obstacle_particles(self):
2293 r"""get_obstacle_particles(SimulationData self) -> IMP::ParticlesTemp"""
2294 return _IMP_npctransport.SimulationData_get_obstacle_particles(self)
2296 def get_beads(self):
2297 r"""get_beads(SimulationData self) -> IMP::ParticlesTemp"""
2298 return _IMP_npctransport.SimulationData_get_beads(self)
2300 def get_optimizable_beads(self):
2301 r"""get_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2302 return _IMP_npctransport.SimulationData_get_optimizable_beads(self)
2304 def get_non_optimizable_beads(self):
2305 r"""get_non_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2306 return _IMP_npctransport.SimulationData_get_non_optimizable_beads(self)
2308 def get_is_backbone_harmonic(self):
2309 r"""get_is_backbone_harmonic(SimulationData self) -> bool"""
2310 return _IMP_npctransport.SimulationData_get_is_backbone_harmonic(self)
2312 def get_backbone_tau_ns(self):
2313 r"""get_backbone_tau_ns(SimulationData self) -> double"""
2314 return _IMP_npctransport.SimulationData_get_backbone_tau_ns(self)
2316 def get_temperature_k(self):
2317 r"""get_temperature_k(SimulationData self) -> double"""
2318 return _IMP_npctransport.SimulationData_get_temperature_k(self)
2320 def get_initial_simulation_time_ns(self):
2321 r"""get_initial_simulation_time_ns(SimulationData self) -> double"""
2322 return _IMP_npctransport.SimulationData_get_initial_simulation_time_ns(self)
2324 def get_site_centers(self, t0):
2325 r"""get_site_centers(SimulationData self, ParticleType t0) -> IMP::algebra::Vector3Ds"""
2326 return _IMP_npctransport.SimulationData_get_site_centers(self, t0)
2328 def get_sites(self, t0):
2329 r"""get_sites(SimulationData self, ParticleType t0) -> IMP::algebra::Sphere3Ds"""
2330 return _IMP_npctransport.SimulationData_get_sites(self, t0)
2332 def set_sites(self, *args):
2334 set_sites(SimulationData self, ParticleType t0, int n, double r, double sr)
2335 set_sites(SimulationData self, ParticleType t0, IMP::algebra::Sphere3Ds const & sites)
2337 return _IMP_npctransport.SimulationData_set_sites(self, *args)
2339 def get_site_display_radius(self, arg2):
2340 r"""get_site_display_radius(SimulationData self, ParticleType arg2) -> double"""
2341 return _IMP_npctransport.SimulationData_get_site_display_radius(self, arg2)
2343 def get_maximum_number_of_minutes(self):
2344 r"""get_maximum_number_of_minutes(SimulationData self) -> double"""
2345 return _IMP_npctransport.SimulationData_get_maximum_number_of_minutes(self)
2347 def remove_particle_type(self, pt):
2348 r"""remove_particle_type(SimulationData self, ParticleType pt)"""
2349 return _IMP_npctransport.SimulationData_remove_particle_type(self, pt)
2351 def remove_fgs_with_prefix(self, s_fg_type):
2352 r"""remove_fgs_with_prefix(SimulationData self, std::string s_fg_type)"""
2353 return _IMP_npctransport.SimulationData_remove_fgs_with_prefix(self, s_fg_type)
2355 def get_bounding_box(self):
2356 r"""get_bounding_box(SimulationData self) -> BoundingBox3D"""
2357 return _IMP_npctransport.SimulationData_get_bounding_box(self)
2359 def get_bounding_sphere(self):
2360 r"""get_bounding_sphere(SimulationData self) -> Sphere3D"""
2361 return _IMP_npctransport.SimulationData_get_bounding_sphere(self)
2363 def get_bounding_box_size(self):
2364 r"""get_bounding_box_size(SimulationData self) -> double"""
2365 return _IMP_npctransport.SimulationData_get_bounding_box_size(self)
2367 def set_bounding_box_size(self, box_size):
2368 r"""set_bounding_box_size(SimulationData self, double box_size)"""
2369 return _IMP_npctransport.SimulationData_set_bounding_box_size(self, box_size)
2371 def get_bounding_sphere_radius(self):
2372 r"""get_bounding_sphere_radius(SimulationData self) -> double"""
2373 return _IMP_npctransport.SimulationData_get_bounding_sphere_radius(self)
2375 def set_bounding_sphere_radius(self, sphere_radius):
2376 r"""set_bounding_sphere_radius(SimulationData self, double sphere_radius)"""
2377 return _IMP_npctransport.SimulationData_set_bounding_sphere_radius(self, sphere_radius)
2379 def get_bounding_volume(self):
2380 r"""get_bounding_volume(SimulationData self) -> double"""
2381 return _IMP_npctransport.SimulationData_get_bounding_volume(self)
2383 def set_bounding_volume(self, volume_A3):
2384 r"""set_bounding_volume(SimulationData self, double volume_A3)"""
2385 return _IMP_npctransport.SimulationData_set_bounding_volume(self, volume_A3)
2387 def get_has_slab(self):
2388 r"""get_has_slab(SimulationData self) -> bool"""
2389 return _IMP_npctransport.SimulationData_get_has_slab(self)
2391 def get_is_slab_with_cylindrical_pore(self):
2392 r"""get_is_slab_with_cylindrical_pore(SimulationData self) -> bool"""
2393 return _IMP_npctransport.SimulationData_get_is_slab_with_cylindrical_pore(self)
2395 def get_is_slab_with_toroidal_pore(self):
2396 r"""get_is_slab_with_toroidal_pore(SimulationData self) -> bool"""
2397 return _IMP_npctransport.SimulationData_get_is_slab_with_toroidal_pore(self)
2399 def get_slab_particle(self):
2400 r"""get_slab_particle(SimulationData self) -> Particle"""
2401 return _IMP_npctransport.SimulationData_get_slab_particle(self)
2403 def get_cylinder(self):
2404 r"""get_cylinder(SimulationData self) -> Cylinder3D"""
2405 return _IMP_npctransport.SimulationData_get_cylinder(self)
2407 def get_has_bounding_box(self):
2408 r"""get_has_bounding_box(SimulationData self) -> bool"""
2409 return _IMP_npctransport.SimulationData_get_has_bounding_box(self)
2411 def get_has_bounding_sphere(self):
2412 r"""get_has_bounding_sphere(SimulationData self) -> bool"""
2413 return _IMP_npctransport.SimulationData_get_has_bounding_sphere(self)
2415 def get_has_bounding_volume(self):
2416 r"""get_has_bounding_volume(SimulationData self) -> bool"""
2417 return _IMP_npctransport.SimulationData_get_has_bounding_volume(self)
2419 def initialize_positions_from_rmf(self, fh, frame_number=-1):
2420 r"""initialize_positions_from_rmf(SimulationData self, FileConstHandle fh, int frame_number=-1)"""
2421 return _IMP_npctransport.SimulationData_initialize_positions_from_rmf(self, fh, frame_number)
2423 def link_rmf_file_handle(self, fh, is_restraints=True):
2424 r"""link_rmf_file_handle(SimulationData self, FileHandle fh, bool is_restraints=True)"""
2425 return _IMP_npctransport.SimulationData_link_rmf_file_handle(self, fh, is_restraints)
2427 def get_rmf_sos_writer(self):
2428 r"""get_rmf_sos_writer(SimulationData self) -> SaveOptimizerState"""
2429 return _IMP_npctransport.SimulationData_get_rmf_sos_writer(self)
2431 def reset_rmf(self):
2432 r"""reset_rmf(SimulationData self)"""
2433 return _IMP_npctransport.SimulationData_reset_rmf(self)
2435 def switch_suspend_rmf(self, suspend):
2436 r"""switch_suspend_rmf(SimulationData self, bool suspend)"""
2437 return _IMP_npctransport.SimulationData_switch_suspend_rmf(self, suspend)
2439 def write_geometry(self, out):
2440 r"""write_geometry(SimulationData self, std::string out)"""
2441 return _IMP_npctransport.SimulationData_write_geometry(self, out)
2443 def dump_geometry(self):
2444 r"""dump_geometry(SimulationData self)"""
2445 return _IMP_npctransport.SimulationData_dump_geometry(self)
2447 def get_root_of_type(self, type):
2448 r"""get_root_of_type(SimulationData self, ParticleType type) -> Hierarchy"""
2449 return _IMP_npctransport.SimulationData_get_root_of_type(self, type)
2452 r"""get_number_of_frames(SimulationData self) -> unsigned int"""
2453 return _IMP_npctransport.SimulationData_get_number_of_frames(self)
2455 def get_number_of_trials(self):
2456 r"""get_number_of_trials(SimulationData self) -> unsigned int"""
2457 return _IMP_npctransport.SimulationData_get_number_of_trials(self)
2460 r"""get_root(SimulationData self) -> Hierarchy"""
2461 return _IMP_npctransport.SimulationData_get_root(self)
2463 def get_slab_thickness(self):
2464 r"""get_slab_thickness(SimulationData self) -> double"""
2465 return _IMP_npctransport.SimulationData_get_slab_thickness(self)
2467 def get_tunnel_radius(self):
2468 r"""get_tunnel_radius(SimulationData self) -> double"""
2469 return _IMP_npctransport.SimulationData_get_tunnel_radius(self)
2471 def get_pore_radius(self):
2472 r"""get_pore_radius(SimulationData self) -> double"""
2473 return _IMP_npctransport.SimulationData_get_pore_radius(self)
2475 def get_tunnel_radius_k(self):
2476 r"""get_tunnel_radius_k(SimulationData self) -> double"""
2477 return _IMP_npctransport.SimulationData_get_tunnel_radius_k(self)
2479 def get_pore_radius_k(self):
2480 r"""get_pore_radius_k(SimulationData self) -> double"""
2481 return _IMP_npctransport.SimulationData_get_pore_radius_k(self)
2483 def get_is_pore_radius_dynamic(self):
2484 r"""get_is_pore_radius_dynamic(SimulationData self) -> bool"""
2485 return _IMP_npctransport.SimulationData_get_is_pore_radius_dynamic(self)
2487 def get_pore_anchored_beads_k(self):
2488 r"""get_pore_anchored_beads_k(SimulationData self) -> double"""
2489 return _IMP_npctransport.SimulationData_get_pore_anchored_beads_k(self)
2491 def get_static_geometry(self):
2492 r"""get_static_geometry(SimulationData self) -> Geometry"""
2493 return _IMP_npctransport.SimulationData_get_static_geometry(self)
2495 def get_rmf_dump_interval_frames(self):
2496 r"""get_rmf_dump_interval_frames(SimulationData self) -> int"""
2497 return _IMP_npctransport.SimulationData_get_rmf_dump_interval_frames(self)
2499 def get_rmf_file_name(self):
2500 r"""get_rmf_file_name(SimulationData self) -> std::string"""
2501 return _IMP_npctransport.SimulationData_get_rmf_file_name(self)
2503 def set_rmf_file(self, new_name, is_save_restraints_to_rmf=True, is_force_restart=False):
2504 r"""set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True, bool is_force_restart=False)"""
2505 return _IMP_npctransport.SimulationData_set_rmf_file(self, new_name, is_save_restraints_to_rmf, is_force_restart)
2507 def get_version_info(self):
2508 r"""get_version_info(SimulationData self) -> VersionInfo"""
2509 return _IMP_npctransport.SimulationData_get_version_info(self)
2510 __swig_destroy__ = _IMP_npctransport.delete_SimulationData
2513 r"""__str__(SimulationData self) -> std::string"""
2514 return _IMP_npctransport.SimulationData___str__(self)
2517 r"""__repr__(SimulationData self) -> std::string"""
2518 return _IMP_npctransport.SimulationData___repr__(self)
2522 return _object_cast_to_SimulationData(o)
2526 _IMP_npctransport.SimulationData_swigregister(SimulationData)
2528 def get_simulation_data_key():
2529 r"""get_simulation_data_key() -> IMP::WeakObjectKey"""
2530 return _IMP_npctransport.get_simulation_data_key()
2532 def write_geometry(kaps, kap_sites, chains, chain_sites, rs, out):
2533 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)"""
2534 return _IMP_npctransport.write_geometry(kaps, kap_sites, chains, chain_sites, rs, out)
2536 r"""Proxy of C++ IMP::npctransport::ParticleFactory class."""
2538 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2539 sd_ = property(_IMP_npctransport.ParticleFactory_sd__get, _IMP_npctransport.ParticleFactory_sd__set, doc=
r"""sd_ : IMP::WeakPointer<(IMP::npctransport::SimulationData)>""")
2540 radius_ = property(_IMP_npctransport.ParticleFactory_radius__get, _IMP_npctransport.ParticleFactory_radius__set, doc=
r"""radius_ : double""")
2541 D_factor_ = property(_IMP_npctransport.ParticleFactory_D_factor__get, _IMP_npctransport.ParticleFactory_D_factor__set, doc=
r"""D_factor_ : double""")
2542 angular_D_factor_ = property(_IMP_npctransport.ParticleFactory_angular_D_factor__get, _IMP_npctransport.ParticleFactory_angular_D_factor__set, doc=
r"""angular_D_factor_ : double""")
2543 color_ = property(_IMP_npctransport.ParticleFactory_color__get, _IMP_npctransport.ParticleFactory_color__set, doc=
r"""color_ : IMP::display::Color""")
2544 type_ = property(_IMP_npctransport.ParticleFactory_type__get, _IMP_npctransport.ParticleFactory_type__set, doc=
r"""type_ : IMP::core::ParticleType""")
2546 def __init__(self, *args):
2547 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"""
2548 _IMP_npctransport.ParticleFactory_swiginit(self, _IMP_npctransport.new_ParticleFactory(*args))
2550 def create(self, *args):
2551 r"""create(ParticleFactory self, std::string name="") -> Particle"""
2552 return _IMP_npctransport.ParticleFactory_create(self, *args)
2554 def get_model(self):
2555 r"""get_model(ParticleFactory self) -> Model"""
2556 return _IMP_npctransport.ParticleFactory_get_model(self)
2558 def get_simulation_data(self):
2559 r"""get_simulation_data(ParticleFactory self) -> SimulationData"""
2560 return _IMP_npctransport.ParticleFactory_get_simulation_data(self)
2562 def get_radius(self):
2563 r"""get_radius(ParticleFactory self) -> double"""
2564 return _IMP_npctransport.ParticleFactory_get_radius(self)
2566 def get_version_info(self):
2567 r"""get_version_info(ParticleFactory self) -> VersionInfo"""
2568 return _IMP_npctransport.ParticleFactory_get_version_info(self)
2569 __swig_destroy__ = _IMP_npctransport.delete_ParticleFactory
2572 r"""__str__(ParticleFactory self) -> std::string"""
2573 return _IMP_npctransport.ParticleFactory___str__(self)
2576 r"""__repr__(ParticleFactory self) -> std::string"""
2577 return _IMP_npctransport.ParticleFactory___repr__(self)
2581 return _object_cast_to_ParticleFactory(o)
2585 _IMP_npctransport.ParticleFactory_swigregister(ParticleFactory)
2587 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesLoadLink class."""
2589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2591 def __init__(self, fh):
2592 r"""__init__(HierarchyWithSitesLoadLink self, FileConstHandle fh) -> HierarchyWithSitesLoadLink"""
2593 _IMP_npctransport.HierarchyWithSitesLoadLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesLoadLink(fh))
2597 r"""get_name() -> char const *"""
2598 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2601 r"""__str__(HierarchyWithSitesLoadLink self) -> std::string"""
2602 return _IMP_npctransport.HierarchyWithSitesLoadLink___str__(self)
2605 r"""__repr__(HierarchyWithSitesLoadLink self) -> std::string"""
2606 return _IMP_npctransport.HierarchyWithSitesLoadLink___repr__(self)
2610 return _object_cast_to_HierarchyWithSitesLoadLink(o)
2612 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesLoadLink
2615 _IMP_npctransport.HierarchyWithSitesLoadLink_swigregister(HierarchyWithSitesLoadLink)
2617 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesSaveLink class."""
2619 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2621 def __init__(self, fh):
2622 r"""__init__(HierarchyWithSitesSaveLink self, FileHandle fh) -> HierarchyWithSitesSaveLink"""
2623 _IMP_npctransport.HierarchyWithSitesSaveLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesSaveLink(fh))
2627 r"""get_name() -> char const *"""
2628 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2631 r"""__str__(HierarchyWithSitesSaveLink self) -> std::string"""
2632 return _IMP_npctransport.HierarchyWithSitesSaveLink___str__(self)
2635 r"""__repr__(HierarchyWithSitesSaveLink self) -> std::string"""
2636 return _IMP_npctransport.HierarchyWithSitesSaveLink___repr__(self)
2640 return _object_cast_to_HierarchyWithSitesSaveLink(o)
2642 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesSaveLink
2645 _IMP_npctransport.HierarchyWithSitesSaveLink_swigregister(HierarchyWithSitesSaveLink)
2649 add_test_sites(FileHandle fh, ParticleType t, double display_radius, IMP::algebra::Vector3Ds sites)
2650 add_test_sites(FileHandle fh, ParticleType t, IMP::algebra::Sphere3Ds sites)
2652 return _IMP_npctransport.add_test_sites(*args)
2656 add_hierarchies_with_sites(FileHandle fh, IMP::atom::Hierarchies const & hs)
2657 add_hierarchies_with_sites(NodeHandle fh, IMP::atom::Hierarchies const & hs)
2659 return _IMP_npctransport.add_hierarchies_with_sites(*args)
2662 r"""add_hierarchy_with_sites(FileHandle fh, Hierarchy hs)"""
2663 return _IMP_npctransport.add_hierarchy_with_sites(fh, hs)
2666 r"""create_hierarchies_with_sites(FileConstHandle fh, Model m) -> IMP::atom::Hierarchies"""
2667 return _IMP_npctransport.create_hierarchies_with_sites(fh, m)
2670 r"""link_hierarchies_with_sites(FileConstHandle fh, IMP::atom::Hierarchies const & hs)"""
2671 return _IMP_npctransport.link_hierarchies_with_sites(fh, hs)
2673 r"""Proxy of C++ IMP::npctransport::Transporting class."""
2675 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2677 def __init__(self, *args):
2679 __init__(Transporting self) -> Transporting
2680 __init__(Transporting self, Model m, ParticleIndex id) -> Transporting
2681 __init__(Transporting self, _ParticleAdaptor d) -> Transporting
2683 _IMP_npctransport.Transporting_swiginit(self, _IMP_npctransport.new_Transporting(*args))
2685 def show(self, *args):
2686 r"""show(Transporting self, _ostream out=std::cout)"""
2687 return _IMP_npctransport.Transporting_show(self, *args)
2690 def setup_particle(*args):
2692 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
2693 setup_particle(_ParticleAdaptor pa, bool is_last_entry_from_top=False) -> Transporting
2695 return _IMP_npctransport.Transporting_setup_particle(*args)
2698 def get_is_setup(*args):
2700 get_is_setup(_ParticleAdaptor p) -> bool
2701 get_is_setup(Model m, ParticleIndex pi) -> bool
2703 return _IMP_npctransport.Transporting_get_is_setup(*args)
2705 def set_is_last_entry_from_top(self, is_last_entry_from_top):
2706 r"""set_is_last_entry_from_top(Transporting self, bool is_last_entry_from_top)"""
2707 return _IMP_npctransport.Transporting_set_is_last_entry_from_top(self, is_last_entry_from_top)
2709 def get_is_last_entry_from_top(self):
2710 r"""get_is_last_entry_from_top(Transporting self) -> bool"""
2711 return _IMP_npctransport.Transporting_get_is_last_entry_from_top(self)
2714 def get_is_last_entry_from_top_key():
2715 r"""get_is_last_entry_from_top_key() -> IntKey"""
2716 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
2718 def set_last_tracked_z(self, last_tracked_z):
2719 r"""set_last_tracked_z(Transporting self, double last_tracked_z)"""
2720 return _IMP_npctransport.Transporting_set_last_tracked_z(self, last_tracked_z)
2722 def get_last_tracked_z(self):
2723 r"""get_last_tracked_z(Transporting self) -> double"""
2724 return _IMP_npctransport.Transporting_get_last_tracked_z(self)
2727 def get_last_tracked_z_key():
2728 r"""get_last_tracked_z_key() -> FloatKey"""
2729 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
2731 def set_n_entries_bottom(self, n):
2732 r"""set_n_entries_bottom(Transporting self, int n)"""
2733 return _IMP_npctransport.Transporting_set_n_entries_bottom(self, n)
2735 def get_n_entries_bottom(self):
2736 r"""get_n_entries_bottom(Transporting self) -> int"""
2737 return _IMP_npctransport.Transporting_get_n_entries_bottom(self)
2740 def get_n_entries_bottom_key():
2741 r"""get_n_entries_bottom_key() -> IntKey"""
2742 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
2744 def set_n_entries_top(self, n):
2745 r"""set_n_entries_top(Transporting self, int n)"""
2746 return _IMP_npctransport.Transporting_set_n_entries_top(self, n)
2748 def get_n_entries_top(self):
2749 r"""get_n_entries_top(Transporting self) -> int"""
2750 return _IMP_npctransport.Transporting_get_n_entries_top(self)
2753 def get_n_entries_top_key():
2754 r"""get_n_entries_top_key() -> IntKey"""
2755 return _IMP_npctransport.Transporting_get_n_entries_top_key()
2757 def add_attribute(self, *args):
2759 add_attribute(Transporting self, FloatKey k, IMP::Float v, bool opt)
2760 add_attribute(Transporting self, FloatKey a0, IMP::Float a1)
2761 add_attribute(Transporting self, IntKey a0, IMP::Int a1)
2762 add_attribute(Transporting self, FloatsKey a0, IMP::Floats a1)
2763 add_attribute(Transporting self, IntsKey a0, IMP::Ints a1)
2764 add_attribute(Transporting self, StringKey a0, IMP::String a1)
2765 add_attribute(Transporting self, ParticleIndexKey a0, Particle a1)
2766 add_attribute(Transporting self, ObjectKey a0, Object a1)
2767 add_attribute(Transporting self, SparseFloatKey a0, IMP::Float a1)
2768 add_attribute(Transporting self, SparseIntKey a0, IMP::Int a1)
2769 add_attribute(Transporting self, SparseStringKey a0, IMP::String a1)
2770 add_attribute(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2772 return _IMP_npctransport.Transporting_add_attribute(self, *args)
2774 def get_value(self, *args):
2776 get_value(Transporting self, FloatKey a0) -> IMP::Float
2777 get_value(Transporting self, IntKey a0) -> IMP::Int
2778 get_value(Transporting self, FloatsKey a0) -> IMP::Floats
2779 get_value(Transporting self, IntsKey a0) -> IMP::Ints
2780 get_value(Transporting self, StringKey a0) -> IMP::String
2781 get_value(Transporting self, ParticleIndexKey a0) -> Particle
2782 get_value(Transporting self, ObjectKey a0) -> Object
2783 get_value(Transporting self, SparseFloatKey a0) -> IMP::Float
2784 get_value(Transporting self, SparseIntKey a0) -> IMP::Int
2785 get_value(Transporting self, SparseStringKey a0) -> IMP::String
2786 get_value(Transporting self, SparseParticleIndexKey a0) -> ParticleIndex
2788 return _IMP_npctransport.Transporting_get_value(self, *args)
2790 def set_value(self, *args):
2792 set_value(Transporting self, FloatKey a0, IMP::Float a1)
2793 set_value(Transporting self, IntKey a0, IMP::Int a1)
2794 set_value(Transporting self, FloatsKey a0, IMP::Floats a1)
2795 set_value(Transporting self, IntsKey a0, IMP::Ints a1)
2796 set_value(Transporting self, StringKey a0, IMP::String a1)
2797 set_value(Transporting self, ParticleIndexKey a0, Particle a1)
2798 set_value(Transporting self, ObjectKey a0, Object a1)
2799 set_value(Transporting self, SparseFloatKey a0, IMP::Float a1)
2800 set_value(Transporting self, SparseIntKey a0, IMP::Int a1)
2801 set_value(Transporting self, SparseStringKey a0, IMP::String a1)
2802 set_value(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2804 return _IMP_npctransport.Transporting_set_value(self, *args)
2806 def remove_attribute(self, *args):
2808 remove_attribute(Transporting self, FloatKey a0)
2809 remove_attribute(Transporting self, IntKey a0)
2810 remove_attribute(Transporting self, FloatsKey a0)
2811 remove_attribute(Transporting self, IntsKey a0)
2812 remove_attribute(Transporting self, StringKey a0)
2813 remove_attribute(Transporting self, ParticleIndexKey a0)
2814 remove_attribute(Transporting self, ObjectKey a0)
2815 remove_attribute(Transporting self, SparseFloatKey a0)
2816 remove_attribute(Transporting self, SparseIntKey a0)
2817 remove_attribute(Transporting self, SparseStringKey a0)
2818 remove_attribute(Transporting self, SparseParticleIndexKey a0)
2820 return _IMP_npctransport.Transporting_remove_attribute(self, *args)
2822 def has_attribute(self, *args):
2824 has_attribute(Transporting self, FloatKey a0) -> bool
2825 has_attribute(Transporting self, IntKey a0) -> bool
2826 has_attribute(Transporting self, FloatsKey a0) -> bool
2827 has_attribute(Transporting self, IntsKey a0) -> bool
2828 has_attribute(Transporting self, StringKey a0) -> bool
2829 has_attribute(Transporting self, ParticleIndexKey a0) -> bool
2830 has_attribute(Transporting self, ObjectKey a0) -> bool
2831 has_attribute(Transporting self, SparseFloatKey a0) -> bool
2832 has_attribute(Transporting self, SparseIntKey a0) -> bool
2833 has_attribute(Transporting self, SparseStringKey a0) -> bool
2834 has_attribute(Transporting self, SparseParticleIndexKey a0) -> bool
2836 return _IMP_npctransport.Transporting_has_attribute(self, *args)
2838 def get_derivative(self, a0):
2839 r"""get_derivative(Transporting self, FloatKey a0) -> double"""
2840 return _IMP_npctransport.Transporting_get_derivative(self, a0)
2843 r"""get_name(Transporting self) -> std::string"""
2844 return _IMP_npctransport.Transporting_get_name(self)
2846 def clear_caches(self):
2847 r"""clear_caches(Transporting self)"""
2848 return _IMP_npctransport.Transporting_clear_caches(self)
2850 def set_name(self, a0):
2851 r"""set_name(Transporting self, std::string a0)"""
2852 return _IMP_npctransport.Transporting_set_name(self, a0)
2855 r"""set_check_level(Transporting self, IMP::CheckLevel a0)"""
2856 return _IMP_npctransport.Transporting_set_check_level(self, a0)
2858 def add_to_derivative(self, a0, a1, a2):
2859 r"""add_to_derivative(Transporting self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2860 return _IMP_npctransport.Transporting_add_to_derivative(self, a0, a1, a2)
2862 def set_is_optimized(self, a0, a1):
2863 r"""set_is_optimized(Transporting self, FloatKey a0, bool a1)"""
2864 return _IMP_npctransport.Transporting_set_is_optimized(self, a0, a1)
2866 def get_is_optimized(self, a0):
2867 r"""get_is_optimized(Transporting self, FloatKey a0) -> bool"""
2868 return _IMP_npctransport.Transporting_get_is_optimized(self, a0)
2871 r"""get_check_level(Transporting self) -> IMP::CheckLevel"""
2872 return _IMP_npctransport.Transporting_get_check_level(self)
2874 def __eq__(self, *args):
2876 __eq__(Transporting self, Transporting o) -> bool
2877 __eq__(Transporting self, Particle d) -> bool
2879 return _IMP_npctransport.Transporting___eq__(self, *args)
2881 def __ne__(self, *args):
2883 __ne__(Transporting self, Transporting o) -> bool
2884 __ne__(Transporting self, Particle d) -> bool
2886 return _IMP_npctransport.Transporting___ne__(self, *args)
2888 def __le__(self, *args):
2890 __le__(Transporting self, Transporting o) -> bool
2891 __le__(Transporting self, Particle d) -> bool
2893 return _IMP_npctransport.Transporting___le__(self, *args)
2895 def __lt__(self, *args):
2897 __lt__(Transporting self, Transporting o) -> bool
2898 __lt__(Transporting self, Particle d) -> bool
2900 return _IMP_npctransport.Transporting___lt__(self, *args)
2902 def __ge__(self, *args):
2904 __ge__(Transporting self, Transporting o) -> bool
2905 __ge__(Transporting self, Particle d) -> bool
2907 return _IMP_npctransport.Transporting___ge__(self, *args)
2909 def __gt__(self, *args):
2911 __gt__(Transporting self, Transporting o) -> bool
2912 __gt__(Transporting self, Particle d) -> bool
2914 return _IMP_npctransport.Transporting___gt__(self, *args)
2917 r"""__hash__(Transporting self) -> std::size_t"""
2918 return _IMP_npctransport.Transporting___hash__(self)
2921 r"""__str__(Transporting self) -> std::string"""
2922 return _IMP_npctransport.Transporting___str__(self)
2925 r"""__repr__(Transporting self) -> std::string"""
2926 return _IMP_npctransport.Transporting___repr__(self)
2928 def _get_as_binary(self):
2929 r"""_get_as_binary(Transporting self) -> PyObject *"""
2930 return _IMP_npctransport.Transporting__get_as_binary(self)
2932 def _set_from_binary(self, p):
2933 r"""_set_from_binary(Transporting self, PyObject * p)"""
2934 return _IMP_npctransport.Transporting__set_from_binary(self, p)
2936 def __getstate__(self):
2937 p = self._get_as_binary()
2938 if len(self.__dict__) > 1:
2939 d = self.__dict__.copy()
2944 def __setstate__(self, p):
2945 if not hasattr(self,
'this'):
2947 if isinstance(p, tuple):
2949 self.__dict__.update(d)
2950 return self._set_from_binary(p)
2952 __swig_destroy__ = _IMP_npctransport.delete_Transporting
2955 _IMP_npctransport.Transporting_swigregister(Transporting)
2957 def show_ranges(fname):
2958 r"""show_ranges(std::string fname)"""
2959 return _IMP_npctransport.show_ranges(fname)
2961 def assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed):
2962 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"""
2963 return _IMP_npctransport.assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed)
2965 def get_number_of_work_units(configuration_file):
2966 r"""get_number_of_work_units(std::string configuration_file) -> int"""
2967 return _IMP_npctransport.get_number_of_work_units(configuration_file)
2969 r"""Proxy of C++ IMP::npctransport::SlabWithPore class."""
2971 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2973 def __init__(self, *args):
2975 __init__(SlabWithPore self) -> SlabWithPore
2976 __init__(SlabWithPore self, Model m, ParticleIndex id) -> SlabWithPore
2977 __init__(SlabWithPore self, _ParticleAdaptor d) -> SlabWithPore
2979 _IMP_npctransport.SlabWithPore_swiginit(self, _IMP_npctransport.new_SlabWithPore(*args))
2981 def show(self, *args):
2982 r"""show(SlabWithPore self, _ostream out=std::cout)"""
2983 return _IMP_npctransport.SlabWithPore_show(self, *args)
2986 def setup_particle(*args):
2988 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
2989 setup_particle(_ParticleAdaptor pa, double thickness, double pore_radius) -> SlabWithPore
2991 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
2994 def get_is_setup(*args):
2996 get_is_setup(_ParticleAdaptor p) -> bool
2997 get_is_setup(Model m, ParticleIndex pi) -> bool
2999 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
3001 def set_thickness(self, thickness):
3002 r"""set_thickness(SlabWithPore self, double thickness)"""
3003 return _IMP_npctransport.SlabWithPore_set_thickness(self, thickness)
3005 def get_thickness(self):
3006 r"""get_thickness(SlabWithPore self) -> IMP::Float"""
3007 return _IMP_npctransport.SlabWithPore_get_thickness(self)
3009 def get_pore_radius(self):
3010 r"""get_pore_radius(SlabWithPore self) -> IMP::Float"""
3011 return _IMP_npctransport.SlabWithPore_get_pore_radius(self)
3013 def set_pore_radius(self, r):
3014 r"""set_pore_radius(SlabWithPore self, double r)"""
3015 return _IMP_npctransport.SlabWithPore_set_pore_radius(self, r)
3017 def add_to_pore_radius_derivative(self, v, d):
3018 r"""add_to_pore_radius_derivative(SlabWithPore self, double v, DerivativeAccumulator d)"""
3019 return _IMP_npctransport.SlabWithPore_add_to_pore_radius_derivative(self, v, d)
3021 def get_pore_radius_is_optimized(self):
3022 r"""get_pore_radius_is_optimized(SlabWithPore self) -> bool"""
3023 return _IMP_npctransport.SlabWithPore_get_pore_radius_is_optimized(self)
3025 def set_pore_radius_is_optimized(self, tf):
3026 r"""set_pore_radius_is_optimized(SlabWithPore self, bool tf)"""
3027 return _IMP_npctransport.SlabWithPore_set_pore_radius_is_optimized(self, tf)
3030 def get_thickness_key():
3031 r"""get_thickness_key() -> FloatKey"""
3032 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3035 def get_pore_radius_key():
3036 r"""get_pore_radius_key() -> FloatKey"""
3037 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3039 def add_attribute(self, *args):
3041 add_attribute(SlabWithPore self, FloatKey k, IMP::Float v, bool opt)
3042 add_attribute(SlabWithPore self, FloatKey a0, IMP::Float a1)
3043 add_attribute(SlabWithPore self, IntKey a0, IMP::Int a1)
3044 add_attribute(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3045 add_attribute(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3046 add_attribute(SlabWithPore self, StringKey a0, IMP::String a1)
3047 add_attribute(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3048 add_attribute(SlabWithPore self, ObjectKey a0, Object a1)
3049 add_attribute(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3050 add_attribute(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3051 add_attribute(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3052 add_attribute(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3054 return _IMP_npctransport.SlabWithPore_add_attribute(self, *args)
3056 def get_value(self, *args):
3058 get_value(SlabWithPore self, FloatKey a0) -> IMP::Float
3059 get_value(SlabWithPore self, IntKey a0) -> IMP::Int
3060 get_value(SlabWithPore self, FloatsKey a0) -> IMP::Floats
3061 get_value(SlabWithPore self, IntsKey a0) -> IMP::Ints
3062 get_value(SlabWithPore self, StringKey a0) -> IMP::String
3063 get_value(SlabWithPore self, ParticleIndexKey a0) -> Particle
3064 get_value(SlabWithPore self, ObjectKey a0) -> Object
3065 get_value(SlabWithPore self, SparseFloatKey a0) -> IMP::Float
3066 get_value(SlabWithPore self, SparseIntKey a0) -> IMP::Int
3067 get_value(SlabWithPore self, SparseStringKey a0) -> IMP::String
3068 get_value(SlabWithPore self, SparseParticleIndexKey a0) -> ParticleIndex
3070 return _IMP_npctransport.SlabWithPore_get_value(self, *args)
3072 def set_value(self, *args):
3074 set_value(SlabWithPore self, FloatKey a0, IMP::Float a1)
3075 set_value(SlabWithPore self, IntKey a0, IMP::Int a1)
3076 set_value(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3077 set_value(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3078 set_value(SlabWithPore self, StringKey a0, IMP::String a1)
3079 set_value(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3080 set_value(SlabWithPore self, ObjectKey a0, Object a1)
3081 set_value(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3082 set_value(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3083 set_value(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3084 set_value(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3086 return _IMP_npctransport.SlabWithPore_set_value(self, *args)
3088 def remove_attribute(self, *args):
3090 remove_attribute(SlabWithPore self, FloatKey a0)
3091 remove_attribute(SlabWithPore self, IntKey a0)
3092 remove_attribute(SlabWithPore self, FloatsKey a0)
3093 remove_attribute(SlabWithPore self, IntsKey a0)
3094 remove_attribute(SlabWithPore self, StringKey a0)
3095 remove_attribute(SlabWithPore self, ParticleIndexKey a0)
3096 remove_attribute(SlabWithPore self, ObjectKey a0)
3097 remove_attribute(SlabWithPore self, SparseFloatKey a0)
3098 remove_attribute(SlabWithPore self, SparseIntKey a0)
3099 remove_attribute(SlabWithPore self, SparseStringKey a0)
3100 remove_attribute(SlabWithPore self, SparseParticleIndexKey a0)
3102 return _IMP_npctransport.SlabWithPore_remove_attribute(self, *args)
3104 def has_attribute(self, *args):
3106 has_attribute(SlabWithPore self, FloatKey a0) -> bool
3107 has_attribute(SlabWithPore self, IntKey a0) -> bool
3108 has_attribute(SlabWithPore self, FloatsKey a0) -> bool
3109 has_attribute(SlabWithPore self, IntsKey a0) -> bool
3110 has_attribute(SlabWithPore self, StringKey a0) -> bool
3111 has_attribute(SlabWithPore self, ParticleIndexKey a0) -> bool
3112 has_attribute(SlabWithPore self, ObjectKey a0) -> bool
3113 has_attribute(SlabWithPore self, SparseFloatKey a0) -> bool
3114 has_attribute(SlabWithPore self, SparseIntKey a0) -> bool
3115 has_attribute(SlabWithPore self, SparseStringKey a0) -> bool
3116 has_attribute(SlabWithPore self, SparseParticleIndexKey a0) -> bool
3118 return _IMP_npctransport.SlabWithPore_has_attribute(self, *args)
3120 def get_derivative(self, a0):
3121 r"""get_derivative(SlabWithPore self, FloatKey a0) -> double"""
3122 return _IMP_npctransport.SlabWithPore_get_derivative(self, a0)
3125 r"""get_name(SlabWithPore self) -> std::string"""
3126 return _IMP_npctransport.SlabWithPore_get_name(self)
3128 def clear_caches(self):
3129 r"""clear_caches(SlabWithPore self)"""
3130 return _IMP_npctransport.SlabWithPore_clear_caches(self)
3132 def set_name(self, a0):
3133 r"""set_name(SlabWithPore self, std::string a0)"""
3134 return _IMP_npctransport.SlabWithPore_set_name(self, a0)
3137 r"""set_check_level(SlabWithPore self, IMP::CheckLevel a0)"""
3138 return _IMP_npctransport.SlabWithPore_set_check_level(self, a0)
3140 def add_to_derivative(self, a0, a1, a2):
3141 r"""add_to_derivative(SlabWithPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3142 return _IMP_npctransport.SlabWithPore_add_to_derivative(self, a0, a1, a2)
3144 def set_is_optimized(self, a0, a1):
3145 r"""set_is_optimized(SlabWithPore self, FloatKey a0, bool a1)"""
3146 return _IMP_npctransport.SlabWithPore_set_is_optimized(self, a0, a1)
3148 def get_is_optimized(self, a0):
3149 r"""get_is_optimized(SlabWithPore self, FloatKey a0) -> bool"""
3150 return _IMP_npctransport.SlabWithPore_get_is_optimized(self, a0)
3153 r"""get_check_level(SlabWithPore self) -> IMP::CheckLevel"""
3154 return _IMP_npctransport.SlabWithPore_get_check_level(self)
3156 def __eq__(self, *args):
3158 __eq__(SlabWithPore self, SlabWithPore o) -> bool
3159 __eq__(SlabWithPore self, Particle d) -> bool
3161 return _IMP_npctransport.SlabWithPore___eq__(self, *args)
3163 def __ne__(self, *args):
3165 __ne__(SlabWithPore self, SlabWithPore o) -> bool
3166 __ne__(SlabWithPore self, Particle d) -> bool
3168 return _IMP_npctransport.SlabWithPore___ne__(self, *args)
3170 def __le__(self, *args):
3172 __le__(SlabWithPore self, SlabWithPore o) -> bool
3173 __le__(SlabWithPore self, Particle d) -> bool
3175 return _IMP_npctransport.SlabWithPore___le__(self, *args)
3177 def __lt__(self, *args):
3179 __lt__(SlabWithPore self, SlabWithPore o) -> bool
3180 __lt__(SlabWithPore self, Particle d) -> bool
3182 return _IMP_npctransport.SlabWithPore___lt__(self, *args)
3184 def __ge__(self, *args):
3186 __ge__(SlabWithPore self, SlabWithPore o) -> bool
3187 __ge__(SlabWithPore self, Particle d) -> bool
3189 return _IMP_npctransport.SlabWithPore___ge__(self, *args)
3191 def __gt__(self, *args):
3193 __gt__(SlabWithPore self, SlabWithPore o) -> bool
3194 __gt__(SlabWithPore self, Particle d) -> bool
3196 return _IMP_npctransport.SlabWithPore___gt__(self, *args)
3199 r"""__hash__(SlabWithPore self) -> std::size_t"""
3200 return _IMP_npctransport.SlabWithPore___hash__(self)
3203 r"""__str__(SlabWithPore self) -> std::string"""
3204 return _IMP_npctransport.SlabWithPore___str__(self)
3207 r"""__repr__(SlabWithPore self) -> std::string"""
3208 return _IMP_npctransport.SlabWithPore___repr__(self)
3210 def _get_as_binary(self):
3211 r"""_get_as_binary(SlabWithPore self) -> PyObject *"""
3212 return _IMP_npctransport.SlabWithPore__get_as_binary(self)
3214 def _set_from_binary(self, p):
3215 r"""_set_from_binary(SlabWithPore self, PyObject * p)"""
3216 return _IMP_npctransport.SlabWithPore__set_from_binary(self, p)
3218 def __getstate__(self):
3219 p = self._get_as_binary()
3220 if len(self.__dict__) > 1:
3221 d = self.__dict__.copy()
3226 def __setstate__(self, p):
3227 if not hasattr(self,
'this'):
3229 if isinstance(p, tuple):
3231 self.__dict__.update(d)
3232 return self._set_from_binary(p)
3234 __swig_destroy__ = _IMP_npctransport.delete_SlabWithPore
3237 _IMP_npctransport.SlabWithPore_swigregister(SlabWithPore)
3238 class SlabWithCylindricalPore(SlabWithPore):
3239 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPore class."""
3241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3243 def __init__(self, *args):
3245 __init__(SlabWithCylindricalPore self) -> SlabWithCylindricalPore
3246 __init__(SlabWithCylindricalPore self, Model m, ParticleIndex id) -> SlabWithCylindricalPore
3247 __init__(SlabWithCylindricalPore self, _ParticleAdaptor d) -> SlabWithCylindricalPore
3249 _IMP_npctransport.SlabWithCylindricalPore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPore(*args))
3251 def show(self, *args):
3252 r"""show(SlabWithCylindricalPore self, _ostream out=std::cout)"""
3253 return _IMP_npctransport.SlabWithCylindricalPore_show(self, *args)
3256 def setup_particle(*args):
3258 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3259 setup_particle(_ParticleAdaptor pa, double thickness, double radius) -> SlabWithCylindricalPore
3261 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3264 def get_is_setup(*args):
3266 get_is_setup(_ParticleAdaptor p) -> bool
3267 get_is_setup(Model m, ParticleIndex pi) -> bool
3269 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3272 def get_cylindrical_pore_key():
3273 r"""get_cylindrical_pore_key() -> IntKey"""
3274 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3276 def add_attribute(self, *args):
3278 add_attribute(SlabWithCylindricalPore self, FloatKey k, IMP::Float v, bool opt)
3279 add_attribute(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3280 add_attribute(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3281 add_attribute(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3282 add_attribute(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3283 add_attribute(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3284 add_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3285 add_attribute(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3286 add_attribute(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3287 add_attribute(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3288 add_attribute(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3289 add_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3291 return _IMP_npctransport.SlabWithCylindricalPore_add_attribute(self, *args)
3293 def get_value(self, *args):
3295 get_value(SlabWithCylindricalPore self, FloatKey a0) -> IMP::Float
3296 get_value(SlabWithCylindricalPore self, IntKey a0) -> IMP::Int
3297 get_value(SlabWithCylindricalPore self, FloatsKey a0) -> IMP::Floats
3298 get_value(SlabWithCylindricalPore self, IntsKey a0) -> IMP::Ints
3299 get_value(SlabWithCylindricalPore self, StringKey a0) -> IMP::String
3300 get_value(SlabWithCylindricalPore self, ParticleIndexKey a0) -> Particle
3301 get_value(SlabWithCylindricalPore self, ObjectKey a0) -> Object
3302 get_value(SlabWithCylindricalPore self, SparseFloatKey a0) -> IMP::Float
3303 get_value(SlabWithCylindricalPore self, SparseIntKey a0) -> IMP::Int
3304 get_value(SlabWithCylindricalPore self, SparseStringKey a0) -> IMP::String
3305 get_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3307 return _IMP_npctransport.SlabWithCylindricalPore_get_value(self, *args)
3309 def set_value(self, *args):
3311 set_value(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3312 set_value(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3313 set_value(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3314 set_value(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3315 set_value(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3316 set_value(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3317 set_value(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3318 set_value(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3319 set_value(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3320 set_value(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3321 set_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3323 return _IMP_npctransport.SlabWithCylindricalPore_set_value(self, *args)
3325 def remove_attribute(self, *args):
3327 remove_attribute(SlabWithCylindricalPore self, FloatKey a0)
3328 remove_attribute(SlabWithCylindricalPore self, IntKey a0)
3329 remove_attribute(SlabWithCylindricalPore self, FloatsKey a0)
3330 remove_attribute(SlabWithCylindricalPore self, IntsKey a0)
3331 remove_attribute(SlabWithCylindricalPore self, StringKey a0)
3332 remove_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0)
3333 remove_attribute(SlabWithCylindricalPore self, ObjectKey a0)
3334 remove_attribute(SlabWithCylindricalPore self, SparseFloatKey a0)
3335 remove_attribute(SlabWithCylindricalPore self, SparseIntKey a0)
3336 remove_attribute(SlabWithCylindricalPore self, SparseStringKey a0)
3337 remove_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0)
3339 return _IMP_npctransport.SlabWithCylindricalPore_remove_attribute(self, *args)
3341 def has_attribute(self, *args):
3343 has_attribute(SlabWithCylindricalPore self, FloatKey a0) -> bool
3344 has_attribute(SlabWithCylindricalPore self, IntKey a0) -> bool
3345 has_attribute(SlabWithCylindricalPore self, FloatsKey a0) -> bool
3346 has_attribute(SlabWithCylindricalPore self, IntsKey a0) -> bool
3347 has_attribute(SlabWithCylindricalPore self, StringKey a0) -> bool
3348 has_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0) -> bool
3349 has_attribute(SlabWithCylindricalPore self, ObjectKey a0) -> bool
3350 has_attribute(SlabWithCylindricalPore self, SparseFloatKey a0) -> bool
3351 has_attribute(SlabWithCylindricalPore self, SparseIntKey a0) -> bool
3352 has_attribute(SlabWithCylindricalPore self, SparseStringKey a0) -> bool
3353 has_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> bool
3355 return _IMP_npctransport.SlabWithCylindricalPore_has_attribute(self, *args)
3357 def get_derivative(self, a0):
3358 r"""get_derivative(SlabWithCylindricalPore self, FloatKey a0) -> double"""
3359 return _IMP_npctransport.SlabWithCylindricalPore_get_derivative(self, a0)
3362 r"""get_name(SlabWithCylindricalPore self) -> std::string"""
3363 return _IMP_npctransport.SlabWithCylindricalPore_get_name(self)
3365 def clear_caches(self):
3366 r"""clear_caches(SlabWithCylindricalPore self)"""
3367 return _IMP_npctransport.SlabWithCylindricalPore_clear_caches(self)
3369 def set_name(self, a0):
3370 r"""set_name(SlabWithCylindricalPore self, std::string a0)"""
3371 return _IMP_npctransport.SlabWithCylindricalPore_set_name(self, a0)
3374 r"""set_check_level(SlabWithCylindricalPore self, IMP::CheckLevel a0)"""
3375 return _IMP_npctransport.SlabWithCylindricalPore_set_check_level(self, a0)
3377 def add_to_derivative(self, a0, a1, a2):
3378 r"""add_to_derivative(SlabWithCylindricalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3379 return _IMP_npctransport.SlabWithCylindricalPore_add_to_derivative(self, a0, a1, a2)
3381 def set_is_optimized(self, a0, a1):
3382 r"""set_is_optimized(SlabWithCylindricalPore self, FloatKey a0, bool a1)"""
3383 return _IMP_npctransport.SlabWithCylindricalPore_set_is_optimized(self, a0, a1)
3385 def get_is_optimized(self, a0):
3386 r"""get_is_optimized(SlabWithCylindricalPore self, FloatKey a0) -> bool"""
3387 return _IMP_npctransport.SlabWithCylindricalPore_get_is_optimized(self, a0)
3390 r"""get_check_level(SlabWithCylindricalPore self) -> IMP::CheckLevel"""
3391 return _IMP_npctransport.SlabWithCylindricalPore_get_check_level(self)
3393 def __eq__(self, *args):
3395 __eq__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3396 __eq__(SlabWithCylindricalPore self, Particle d) -> bool
3398 return _IMP_npctransport.SlabWithCylindricalPore___eq__(self, *args)
3400 def __ne__(self, *args):
3402 __ne__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3403 __ne__(SlabWithCylindricalPore self, Particle d) -> bool
3405 return _IMP_npctransport.SlabWithCylindricalPore___ne__(self, *args)
3407 def __le__(self, *args):
3409 __le__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3410 __le__(SlabWithCylindricalPore self, Particle d) -> bool
3412 return _IMP_npctransport.SlabWithCylindricalPore___le__(self, *args)
3414 def __lt__(self, *args):
3416 __lt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3417 __lt__(SlabWithCylindricalPore self, Particle d) -> bool
3419 return _IMP_npctransport.SlabWithCylindricalPore___lt__(self, *args)
3421 def __ge__(self, *args):
3423 __ge__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3424 __ge__(SlabWithCylindricalPore self, Particle d) -> bool
3426 return _IMP_npctransport.SlabWithCylindricalPore___ge__(self, *args)
3428 def __gt__(self, *args):
3430 __gt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3431 __gt__(SlabWithCylindricalPore self, Particle d) -> bool
3433 return _IMP_npctransport.SlabWithCylindricalPore___gt__(self, *args)
3436 r"""__hash__(SlabWithCylindricalPore self) -> std::size_t"""
3437 return _IMP_npctransport.SlabWithCylindricalPore___hash__(self)
3440 r"""__str__(SlabWithCylindricalPore self) -> std::string"""
3441 return _IMP_npctransport.SlabWithCylindricalPore___str__(self)
3444 r"""__repr__(SlabWithCylindricalPore self) -> std::string"""
3445 return _IMP_npctransport.SlabWithCylindricalPore___repr__(self)
3447 def _get_as_binary(self):
3448 r"""_get_as_binary(SlabWithCylindricalPore self) -> PyObject *"""
3449 return _IMP_npctransport.SlabWithCylindricalPore__get_as_binary(self)
3451 def _set_from_binary(self, p):
3452 r"""_set_from_binary(SlabWithCylindricalPore self, PyObject * p)"""
3453 return _IMP_npctransport.SlabWithCylindricalPore__set_from_binary(self, p)
3455 def __getstate__(self):
3456 p = self._get_as_binary()
3457 if len(self.__dict__) > 1:
3458 d = self.__dict__.copy()
3463 def __setstate__(self, p):
3464 if not hasattr(self,
'this'):
3466 if isinstance(p, tuple):
3468 self.__dict__.update(d)
3469 return self._set_from_binary(p)
3471 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPore
3474 _IMP_npctransport.SlabWithCylindricalPore_swigregister(SlabWithCylindricalPore)
3475 class SlabWithToroidalPore(SlabWithPore):
3476 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPore class."""
3478 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3480 def __init__(self, *args):
3482 __init__(SlabWithToroidalPore self) -> SlabWithToroidalPore
3483 __init__(SlabWithToroidalPore self, Model m, ParticleIndex id) -> SlabWithToroidalPore
3484 __init__(SlabWithToroidalPore self, _ParticleAdaptor d) -> SlabWithToroidalPore
3486 _IMP_npctransport.SlabWithToroidalPore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPore(*args))
3488 def show(self, *args):
3489 r"""show(SlabWithToroidalPore self, _ostream out=std::cout)"""
3490 return _IMP_npctransport.SlabWithToroidalPore_show(self, *args)
3493 def setup_particle(*args):
3495 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3496 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius) -> SlabWithToroidalPore
3497 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3498 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3500 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3503 def get_is_setup(*args):
3505 get_is_setup(_ParticleAdaptor p) -> bool
3506 get_is_setup(Model m, ParticleIndex pi) -> bool
3508 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3510 def set_minor_radius_h2v_aspect_ratio(self, aspect_ratio):
3511 r"""set_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self, double aspect_ratio)"""
3512 return _IMP_npctransport.SlabWithToroidalPore_set_minor_radius_h2v_aspect_ratio(self, aspect_ratio)
3514 def get_minor_radius_h2v_aspect_ratio(self):
3515 r"""get_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self) -> double"""
3516 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio(self)
3518 def get_vertical_minor_radius(self):
3519 r"""get_vertical_minor_radius(SlabWithToroidalPore self) -> double"""
3520 return _IMP_npctransport.SlabWithToroidalPore_get_vertical_minor_radius(self)
3522 def set_vertical_minor_radius(self, rv):
3523 r"""set_vertical_minor_radius(SlabWithToroidalPore self, double rv)"""
3524 return _IMP_npctransport.SlabWithToroidalPore_set_vertical_minor_radius(self, rv)
3526 def get_horizontal_minor_radius(self):
3527 r"""get_horizontal_minor_radius(SlabWithToroidalPore self) -> double"""
3528 return _IMP_npctransport.SlabWithToroidalPore_get_horizontal_minor_radius(self)
3530 def set_horizontal_minor_radius(self, rh):
3531 r"""set_horizontal_minor_radius(SlabWithToroidalPore self, double rh)"""
3532 return _IMP_npctransport.SlabWithToroidalPore_set_horizontal_minor_radius(self, rh)
3535 def get_minor_radius_h2v_aspect_ratio_key():
3536 r"""get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3537 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3540 def get_toroidal_pore_key():
3541 r"""get_toroidal_pore_key() -> IntKey"""
3542 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3544 def add_attribute(self, *args):
3546 add_attribute(SlabWithToroidalPore self, FloatKey k, IMP::Float v, bool opt)
3547 add_attribute(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3548 add_attribute(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3549 add_attribute(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3550 add_attribute(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3551 add_attribute(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3552 add_attribute(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3553 add_attribute(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3554 add_attribute(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3555 add_attribute(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3556 add_attribute(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3557 add_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3559 return _IMP_npctransport.SlabWithToroidalPore_add_attribute(self, *args)
3561 def get_value(self, *args):
3563 get_value(SlabWithToroidalPore self, FloatKey a0) -> IMP::Float
3564 get_value(SlabWithToroidalPore self, IntKey a0) -> IMP::Int
3565 get_value(SlabWithToroidalPore self, FloatsKey a0) -> IMP::Floats
3566 get_value(SlabWithToroidalPore self, IntsKey a0) -> IMP::Ints
3567 get_value(SlabWithToroidalPore self, StringKey a0) -> IMP::String
3568 get_value(SlabWithToroidalPore self, ParticleIndexKey a0) -> Particle
3569 get_value(SlabWithToroidalPore self, ObjectKey a0) -> Object
3570 get_value(SlabWithToroidalPore self, SparseFloatKey a0) -> IMP::Float
3571 get_value(SlabWithToroidalPore self, SparseIntKey a0) -> IMP::Int
3572 get_value(SlabWithToroidalPore self, SparseStringKey a0) -> IMP::String
3573 get_value(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3575 return _IMP_npctransport.SlabWithToroidalPore_get_value(self, *args)
3577 def set_value(self, *args):
3579 set_value(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3580 set_value(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3581 set_value(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3582 set_value(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3583 set_value(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3584 set_value(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3585 set_value(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3586 set_value(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3587 set_value(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3588 set_value(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3589 set_value(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3591 return _IMP_npctransport.SlabWithToroidalPore_set_value(self, *args)
3593 def remove_attribute(self, *args):
3595 remove_attribute(SlabWithToroidalPore self, FloatKey a0)
3596 remove_attribute(SlabWithToroidalPore self, IntKey a0)
3597 remove_attribute(SlabWithToroidalPore self, FloatsKey a0)
3598 remove_attribute(SlabWithToroidalPore self, IntsKey a0)
3599 remove_attribute(SlabWithToroidalPore self, StringKey a0)
3600 remove_attribute(SlabWithToroidalPore self, ParticleIndexKey a0)
3601 remove_attribute(SlabWithToroidalPore self, ObjectKey a0)
3602 remove_attribute(SlabWithToroidalPore self, SparseFloatKey a0)
3603 remove_attribute(SlabWithToroidalPore self, SparseIntKey a0)
3604 remove_attribute(SlabWithToroidalPore self, SparseStringKey a0)
3605 remove_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0)
3607 return _IMP_npctransport.SlabWithToroidalPore_remove_attribute(self, *args)
3609 def has_attribute(self, *args):
3611 has_attribute(SlabWithToroidalPore self, FloatKey a0) -> bool
3612 has_attribute(SlabWithToroidalPore self, IntKey a0) -> bool
3613 has_attribute(SlabWithToroidalPore self, FloatsKey a0) -> bool
3614 has_attribute(SlabWithToroidalPore self, IntsKey a0) -> bool
3615 has_attribute(SlabWithToroidalPore self, StringKey a0) -> bool
3616 has_attribute(SlabWithToroidalPore self, ParticleIndexKey a0) -> bool
3617 has_attribute(SlabWithToroidalPore self, ObjectKey a0) -> bool
3618 has_attribute(SlabWithToroidalPore self, SparseFloatKey a0) -> bool
3619 has_attribute(SlabWithToroidalPore self, SparseIntKey a0) -> bool
3620 has_attribute(SlabWithToroidalPore self, SparseStringKey a0) -> bool
3621 has_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> bool
3623 return _IMP_npctransport.SlabWithToroidalPore_has_attribute(self, *args)
3625 def get_derivative(self, a0):
3626 r"""get_derivative(SlabWithToroidalPore self, FloatKey a0) -> double"""
3627 return _IMP_npctransport.SlabWithToroidalPore_get_derivative(self, a0)
3630 r"""get_name(SlabWithToroidalPore self) -> std::string"""
3631 return _IMP_npctransport.SlabWithToroidalPore_get_name(self)
3633 def clear_caches(self):
3634 r"""clear_caches(SlabWithToroidalPore self)"""
3635 return _IMP_npctransport.SlabWithToroidalPore_clear_caches(self)
3637 def set_name(self, a0):
3638 r"""set_name(SlabWithToroidalPore self, std::string a0)"""
3639 return _IMP_npctransport.SlabWithToroidalPore_set_name(self, a0)
3642 r"""set_check_level(SlabWithToroidalPore self, IMP::CheckLevel a0)"""
3643 return _IMP_npctransport.SlabWithToroidalPore_set_check_level(self, a0)
3645 def add_to_derivative(self, a0, a1, a2):
3646 r"""add_to_derivative(SlabWithToroidalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3647 return _IMP_npctransport.SlabWithToroidalPore_add_to_derivative(self, a0, a1, a2)
3649 def set_is_optimized(self, a0, a1):
3650 r"""set_is_optimized(SlabWithToroidalPore self, FloatKey a0, bool a1)"""
3651 return _IMP_npctransport.SlabWithToroidalPore_set_is_optimized(self, a0, a1)
3653 def get_is_optimized(self, a0):
3654 r"""get_is_optimized(SlabWithToroidalPore self, FloatKey a0) -> bool"""
3655 return _IMP_npctransport.SlabWithToroidalPore_get_is_optimized(self, a0)
3658 r"""get_check_level(SlabWithToroidalPore self) -> IMP::CheckLevel"""
3659 return _IMP_npctransport.SlabWithToroidalPore_get_check_level(self)
3661 def __eq__(self, *args):
3663 __eq__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3664 __eq__(SlabWithToroidalPore self, Particle d) -> bool
3666 return _IMP_npctransport.SlabWithToroidalPore___eq__(self, *args)
3668 def __ne__(self, *args):
3670 __ne__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3671 __ne__(SlabWithToroidalPore self, Particle d) -> bool
3673 return _IMP_npctransport.SlabWithToroidalPore___ne__(self, *args)
3675 def __le__(self, *args):
3677 __le__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3678 __le__(SlabWithToroidalPore self, Particle d) -> bool
3680 return _IMP_npctransport.SlabWithToroidalPore___le__(self, *args)
3682 def __lt__(self, *args):
3684 __lt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3685 __lt__(SlabWithToroidalPore self, Particle d) -> bool
3687 return _IMP_npctransport.SlabWithToroidalPore___lt__(self, *args)
3689 def __ge__(self, *args):
3691 __ge__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3692 __ge__(SlabWithToroidalPore self, Particle d) -> bool
3694 return _IMP_npctransport.SlabWithToroidalPore___ge__(self, *args)
3696 def __gt__(self, *args):
3698 __gt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3699 __gt__(SlabWithToroidalPore self, Particle d) -> bool
3701 return _IMP_npctransport.SlabWithToroidalPore___gt__(self, *args)
3704 r"""__hash__(SlabWithToroidalPore self) -> std::size_t"""
3705 return _IMP_npctransport.SlabWithToroidalPore___hash__(self)
3708 r"""__str__(SlabWithToroidalPore self) -> std::string"""
3709 return _IMP_npctransport.SlabWithToroidalPore___str__(self)
3712 r"""__repr__(SlabWithToroidalPore self) -> std::string"""
3713 return _IMP_npctransport.SlabWithToroidalPore___repr__(self)
3715 def _get_as_binary(self):
3716 r"""_get_as_binary(SlabWithToroidalPore self) -> PyObject *"""
3717 return _IMP_npctransport.SlabWithToroidalPore__get_as_binary(self)
3719 def _set_from_binary(self, p):
3720 r"""_set_from_binary(SlabWithToroidalPore self, PyObject * p)"""
3721 return _IMP_npctransport.SlabWithToroidalPore__set_from_binary(self, p)
3723 def __getstate__(self):
3724 p = self._get_as_binary()
3725 if len(self.__dict__) > 1:
3726 d = self.__dict__.copy()
3731 def __setstate__(self, p):
3732 if not hasattr(self,
'this'):
3734 if isinstance(p, tuple):
3736 self.__dict__.update(d)
3737 return self._set_from_binary(p)
3739 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPore
3742 _IMP_npctransport.SlabWithToroidalPore_swigregister(SlabWithToroidalPore)
3744 def __lshift__(*args):
3746 __lshift__(_ostream out, RelaxingSpring n) -> _ostream
3747 __lshift__(_ostream out, Transporting n) -> _ostream
3748 __lshift__(_ostream out, SlabWithPore n) -> _ostream
3749 __lshift__(_ostream out, SlabWithCylindricalPore n) -> _ostream
3750 __lshift__(_ostream out, SlabWithToroidalPore n) -> _ostream
3752 return _IMP_npctransport.__lshift__(*args)
3754 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPorePairScore class."""
3756 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3758 def __init__(self, k):
3759 r"""__init__(SlabWithCylindricalPorePairScore self, double k) -> SlabWithCylindricalPorePairScore"""
3760 _IMP_npctransport.SlabWithCylindricalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPorePairScore(k))
3762 def get_displacement_direction(self, slab, v):
3763 r"""get_displacement_direction(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> Vector3D"""
3764 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_direction(self, slab, v)
3766 def get_displacement_magnitude(self, slab, v):
3767 r"""get_displacement_magnitude(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> double"""
3768 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_magnitude(self, slab, v)
3770 def do_get_inputs(self, m, pis):
3771 r"""do_get_inputs(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3772 return _IMP_npctransport.SlabWithCylindricalPorePairScore_do_get_inputs(self, m, pis)
3774 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3775 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"""
3776 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3778 def evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3779 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"""
3780 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked)
3782 def get_version_info(self):
3783 r"""get_version_info(SlabWithCylindricalPorePairScore self) -> VersionInfo"""
3784 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_version_info(self)
3785 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPorePairScore
3788 r"""__str__(SlabWithCylindricalPorePairScore self) -> std::string"""
3789 return _IMP_npctransport.SlabWithCylindricalPorePairScore___str__(self)
3792 r"""__repr__(SlabWithCylindricalPorePairScore self) -> std::string"""
3793 return _IMP_npctransport.SlabWithCylindricalPorePairScore___repr__(self)
3797 return _object_cast_to_SlabWithCylindricalPorePairScore(o)
3801 _IMP_npctransport.SlabWithCylindricalPorePairScore_swigregister(SlabWithCylindricalPorePairScore)
3803 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPorePairScore class."""
3805 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3807 def __init__(self, k):
3808 r"""__init__(SlabWithToroidalPorePairScore self, double k) -> SlabWithToroidalPorePairScore"""
3809 _IMP_npctransport.SlabWithToroidalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPorePairScore(k))
3811 def do_get_inputs(self, m, pis):
3812 r"""do_get_inputs(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3813 return _IMP_npctransport.SlabWithToroidalPorePairScore_do_get_inputs(self, m, pis)
3815 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3816 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"""
3817 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3819 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3820 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"""
3821 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3823 def get_version_info(self):
3824 r"""get_version_info(SlabWithToroidalPorePairScore self) -> VersionInfo"""
3825 return _IMP_npctransport.SlabWithToroidalPorePairScore_get_version_info(self)
3826 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPorePairScore
3829 r"""__str__(SlabWithToroidalPorePairScore self) -> std::string"""
3830 return _IMP_npctransport.SlabWithToroidalPorePairScore___str__(self)
3833 r"""__repr__(SlabWithToroidalPorePairScore self) -> std::string"""
3834 return _IMP_npctransport.SlabWithToroidalPorePairScore___repr__(self)
3838 return _object_cast_to_SlabWithToroidalPorePairScore(o)
3842 _IMP_npctransport.SlabWithToroidalPorePairScore_swigregister(SlabWithToroidalPorePairScore)
3844 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreWireGeometry class."""
3846 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3848 def __init__(self, height, radius, length):
3849 r"""__init__(SlabWithCylindricalPoreWireGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreWireGeometry"""
3850 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreWireGeometry(height, radius, length))
3852 def get_version_info(self):
3853 r"""get_version_info(SlabWithCylindricalPoreWireGeometry self) -> VersionInfo"""
3854 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_get_version_info(self)
3855 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreWireGeometry
3858 r"""__str__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3859 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___str__(self)
3862 r"""__repr__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3863 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___repr__(self)
3867 return _object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
3871 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swigregister(SlabWithCylindricalPoreWireGeometry)
3873 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry class."""
3875 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3877 def __init__(self, height, radius, length):
3878 r"""__init__(SlabWithCylindricalPoreSurfaceGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreSurfaceGeometry"""
3879 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreSurfaceGeometry(height, radius, length))
3882 r"""__str__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3883 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___str__(self)
3886 r"""__repr__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3887 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___repr__(self)
3891 return _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
3893 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreSurfaceGeometry
3896 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swigregister(SlabWithCylindricalPoreSurfaceGeometry)
3898 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPoreWireGeometry class."""
3900 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3902 def __init__(self, *args):
3904 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double horizontal_semiaxis, double slab_length) -> SlabWithToroidalPoreWireGeometry
3905 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double slab_length) -> SlabWithToroidalPoreWireGeometry
3907 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPoreWireGeometry(*args))
3909 def get_version_info(self):
3910 r"""get_version_info(SlabWithToroidalPoreWireGeometry self) -> VersionInfo"""
3911 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry_get_version_info(self)
3912 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPoreWireGeometry
3915 r"""__str__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3916 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___str__(self)
3919 r"""__repr__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3920 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___repr__(self)
3924 return _object_cast_to_SlabWithToroidalPoreWireGeometry(o)
3928 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swigregister(SlabWithToroidalPoreWireGeometry)
3930 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< IMP::core::Harmonic > class."""
3932 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3933 __repr__ = _swig_repr
3935 def __init__(self, f, k):
3936 r"""__init__(_GenericAttributeSingletonScoreForPoreRadus self, Harmonic f, FloatKey k) -> _GenericAttributeSingletonScoreForPoreRadus"""
3937 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swiginit(self, _IMP_npctransport.new__GenericAttributeSingletonScoreForPoreRadus(f, k))
3939 def do_get_inputs(self, m, pis):
3940 r"""do_get_inputs(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3941 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_do_get_inputs(self, m, pis)
3943 def get_unary_function(self):
3944 r"""get_unary_function(_GenericAttributeSingletonScoreForPoreRadus self) -> Harmonic"""
3945 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_unary_function(self)
3947 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3948 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"""
3949 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3951 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3952 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"""
3953 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3955 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3956 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"""
3957 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3959 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3960 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"""
3961 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3963 def get_version_info(self):
3964 r"""get_version_info(_GenericAttributeSingletonScoreForPoreRadus self) -> VersionInfo"""
3965 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_version_info(self)
3966 __swig_destroy__ = _IMP_npctransport.delete__GenericAttributeSingletonScoreForPoreRadus
3969 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swigregister(_GenericAttributeSingletonScoreForPoreRadus)
3970 class PoreRadiusSingletonScore(_GenericAttributeSingletonScoreForPoreRadus):
3971 r"""Proxy of C++ IMP::npctransport::PoreRadiusSingletonScore class."""
3973 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3975 def __init__(self, mean, k):
3976 r"""__init__(PoreRadiusSingletonScore self, IMP::Float mean, IMP::Float k) -> PoreRadiusSingletonScore"""
3977 _IMP_npctransport.PoreRadiusSingletonScore_swiginit(self, _IMP_npctransport.new_PoreRadiusSingletonScore(mean, k))
3980 r"""set_k(PoreRadiusSingletonScore self, double k)"""
3981 return _IMP_npctransport.PoreRadiusSingletonScore_set_k(self, k)
3983 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3984 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"""
3985 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3987 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3988 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"""
3989 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3991 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3992 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"""
3993 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3995 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3996 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"""
3997 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3998 __swig_destroy__ = _IMP_npctransport.delete_PoreRadiusSingletonScore
4001 r"""__str__(PoreRadiusSingletonScore self) -> std::string"""
4002 return _IMP_npctransport.PoreRadiusSingletonScore___str__(self)
4005 r"""__repr__(PoreRadiusSingletonScore self) -> std::string"""
4006 return _IMP_npctransport.PoreRadiusSingletonScore___repr__(self)
4010 return _object_cast_to_PoreRadiusSingletonScore(o)
4014 _IMP_npctransport.PoreRadiusSingletonScore_swigregister(PoreRadiusSingletonScore)
4016 r"""Proxy of C++ IMP::npctransport::ExcludeZRangeSingletonScore class."""
4018 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4020 def __init__(self, bottom, top, k):
4021 r"""__init__(ExcludeZRangeSingletonScore self, double bottom, double top, double k) -> ExcludeZRangeSingletonScore"""
4022 _IMP_npctransport.ExcludeZRangeSingletonScore_swiginit(self, _IMP_npctransport.new_ExcludeZRangeSingletonScore(bottom, top, k))
4024 def get_bottom_z(self):
4025 r"""get_bottom_z(ExcludeZRangeSingletonScore self) -> double"""
4026 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_bottom_z(self)
4028 def get_top_z(self):
4029 r"""get_top_z(ExcludeZRangeSingletonScore self) -> double"""
4030 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_top_z(self)
4033 r"""get_k(ExcludeZRangeSingletonScore self) -> double"""
4034 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_k(self)
4036 def do_get_inputs(self, m, pis):
4037 r"""do_get_inputs(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4038 return _IMP_npctransport.ExcludeZRangeSingletonScore_do_get_inputs(self, m, pis)
4040 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4041 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"""
4042 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4044 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4045 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"""
4046 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4048 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4049 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"""
4050 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4052 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4053 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"""
4054 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4056 def get_version_info(self):
4057 r"""get_version_info(ExcludeZRangeSingletonScore self) -> VersionInfo"""
4058 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_version_info(self)
4059 __swig_destroy__ = _IMP_npctransport.delete_ExcludeZRangeSingletonScore
4062 r"""__str__(ExcludeZRangeSingletonScore self) -> std::string"""
4063 return _IMP_npctransport.ExcludeZRangeSingletonScore___str__(self)
4066 r"""__repr__(ExcludeZRangeSingletonScore self) -> std::string"""
4067 return _IMP_npctransport.ExcludeZRangeSingletonScore___repr__(self)
4071 return _object_cast_to_ExcludeZRangeSingletonScore(o)
4075 _IMP_npctransport.ExcludeZRangeSingletonScore_swigregister(ExcludeZRangeSingletonScore)
4077 r"""Proxy of C++ IMP::npctransport::ZBiasSingletonScore class."""
4079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4081 def __init__(self, *args):
4082 r"""__init__(ZBiasSingletonScore self, double k, double max_r=HALF_SQRT_MAX_DOUBLE, double z=std::numeric_limits< double >::min()) -> ZBiasSingletonScore"""
4083 _IMP_npctransport.ZBiasSingletonScore_swiginit(self, _IMP_npctransport.new_ZBiasSingletonScore(*args))
4086 r"""get_k(ZBiasSingletonScore self) -> double"""
4087 return _IMP_npctransport.ZBiasSingletonScore_get_k(self)
4089 def evaluate_deriv(self, d):
4090 r"""evaluate_deriv(ZBiasSingletonScore self, XYZR d) -> std::pair< double,IMP::algebra::Vector3D >"""
4091 return _IMP_npctransport.ZBiasSingletonScore_evaluate_deriv(self, d)
4093 def do_get_inputs(self, m, pis):
4094 r"""do_get_inputs(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4095 return _IMP_npctransport.ZBiasSingletonScore_do_get_inputs(self, m, pis)
4097 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4098 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"""
4099 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4101 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4102 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"""
4103 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4105 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4106 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"""
4107 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4109 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4110 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"""
4111 return _IMP_npctransport.ZBiasSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4113 def get_version_info(self):
4114 r"""get_version_info(ZBiasSingletonScore self) -> VersionInfo"""
4115 return _IMP_npctransport.ZBiasSingletonScore_get_version_info(self)
4116 __swig_destroy__ = _IMP_npctransport.delete_ZBiasSingletonScore
4119 r"""__str__(ZBiasSingletonScore self) -> std::string"""
4120 return _IMP_npctransport.ZBiasSingletonScore___str__(self)
4123 r"""__repr__(ZBiasSingletonScore self) -> std::string"""
4124 return _IMP_npctransport.ZBiasSingletonScore___repr__(self)
4128 return _object_cast_to_ZBiasSingletonScore(o)
4132 _IMP_npctransport.ZBiasSingletonScore_swigregister(ZBiasSingletonScore)
4134 r"""Proxy of C++ IMP::npctransport::BodyStatisticsOptimizerState class."""
4136 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4138 def __init__(self, p, statistics_manager=None, periodicity=1):
4139 r"""__init__(BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None, unsigned int periodicity=1) -> BodyStatisticsOptimizerState"""
4140 _IMP_npctransport.BodyStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BodyStatisticsOptimizerState(p, statistics_manager, periodicity))
4142 def get_correlation_time(self):
4143 r"""get_correlation_time(BodyStatisticsOptimizerState self) -> double"""
4144 return _IMP_npctransport.BodyStatisticsOptimizerState_get_correlation_time(self)
4147 r"""get_diffusion_coefficient(BodyStatisticsOptimizerState self) -> double"""
4148 return _IMP_npctransport.BodyStatisticsOptimizerState_get_diffusion_coefficient(self)
4150 def update_particle_type_zr_distribution_map(self):
4151 r"""update_particle_type_zr_distribution_map(BodyStatisticsOptimizerState self)"""
4152 return _IMP_npctransport.BodyStatisticsOptimizerState_update_particle_type_zr_distribution_map(self)
4154 def do_update(self, call_num):
4155 r"""do_update(BodyStatisticsOptimizerState self, unsigned int call_num)"""
4156 return _IMP_npctransport.BodyStatisticsOptimizerState_do_update(self, call_num)
4158 def get_version_info(self):
4159 r"""get_version_info(BodyStatisticsOptimizerState self) -> VersionInfo"""
4160 return _IMP_npctransport.BodyStatisticsOptimizerState_get_version_info(self)
4161 __swig_destroy__ = _IMP_npctransport.delete_BodyStatisticsOptimizerState
4164 r"""__str__(BodyStatisticsOptimizerState self) -> std::string"""
4165 return _IMP_npctransport.BodyStatisticsOptimizerState___str__(self)
4168 r"""__repr__(BodyStatisticsOptimizerState self) -> std::string"""
4169 return _IMP_npctransport.BodyStatisticsOptimizerState___repr__(self)
4173 return _object_cast_to_BodyStatisticsOptimizerState(o)
4177 _IMP_npctransport.BodyStatisticsOptimizerState_swigregister(BodyStatisticsOptimizerState)
4179 r"""Proxy of C++ IMP::npctransport::ParticleTransportStatisticsOptimizerState class."""
4181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4183 def __init__(self, p, bottom_z, top_z, statistics_manager=0, owner=0):
4184 r"""__init__(ParticleTransportStatisticsOptimizerState self, Particle p, IMP::Float bottom_z, IMP::Float top_z, WeakPointer< IMP::npctransport::Statistics > statistics_manager=0, WeakPointer< IMP::atom::Simulator > owner=0) -> ParticleTransportStatisticsOptimizerState"""
4185 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ParticleTransportStatisticsOptimizerState(p, bottom_z, top_z, statistics_manager, owner))
4187 def set_owner(self, owner):
4188 r"""set_owner(ParticleTransportStatisticsOptimizerState self, WeakPointer< IMP::atom::Simulator > owner)"""
4189 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_set_owner(self, owner)
4191 def get_owner(self):
4192 r"""get_owner(ParticleTransportStatisticsOptimizerState self) -> Simulator"""
4193 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_owner(self)
4195 def get_n_transports_up(self):
4196 r"""get_n_transports_up(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4197 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_up(self)
4199 def get_n_transports_down(self):
4200 r"""get_n_transports_down(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4201 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_down(self)
4203 def get_total_n_transports(self):
4204 r"""get_total_n_transports(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4205 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_total_n_transports(self)
4207 def get_transport_time_points_in_ns(self):
4208 r"""get_transport_time_points_in_ns(ParticleTransportStatisticsOptimizerState self) -> IMP::Floats const &"""
4209 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_transport_time_points_in_ns(self)
4211 def do_update(self, call_num):
4212 r"""do_update(ParticleTransportStatisticsOptimizerState self, unsigned int call_num)"""
4213 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_do_update(self, call_num)
4215 def get_version_info(self):
4216 r"""get_version_info(ParticleTransportStatisticsOptimizerState self) -> VersionInfo"""
4217 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_version_info(self)
4218 __swig_destroy__ = _IMP_npctransport.delete_ParticleTransportStatisticsOptimizerState
4221 r"""__str__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4222 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___str__(self)
4225 r"""__repr__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4226 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___repr__(self)
4230 return _object_cast_to_ParticleTransportStatisticsOptimizerState(o)
4234 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swigregister(ParticleTransportStatisticsOptimizerState)
4236 r"""Proxy of C++ IMP::npctransport::ChainStatisticsOptimizerState class."""
4238 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4240 def __init__(self, ps, periodicity=1):
4241 r"""__init__(ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps, unsigned int periodicity=1) -> ChainStatisticsOptimizerState"""
4242 _IMP_npctransport.ChainStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ChainStatisticsOptimizerState(ps, periodicity))
4244 def get_correlation_time(self):
4245 r"""get_correlation_time(ChainStatisticsOptimizerState self) -> double"""
4246 return _IMP_npctransport.ChainStatisticsOptimizerState_get_correlation_time(self)
4248 def get_local_diffusion_coefficients(self):
4249 r"""get_local_diffusion_coefficients(ChainStatisticsOptimizerState self) -> IMP::Floats"""
4250 return _IMP_npctransport.ChainStatisticsOptimizerState_get_local_diffusion_coefficients(self)
4253 r"""get_diffusion_coefficient(ChainStatisticsOptimizerState self) -> double"""
4254 return _IMP_npctransport.ChainStatisticsOptimizerState_get_diffusion_coefficient(self)
4256 def get_mean_radius_of_gyration(self):
4257 r"""get_mean_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4258 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_radius_of_gyration(self)
4260 def get_mean_square_radius_of_gyration(self):
4261 r"""get_mean_square_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4262 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_radius_of_gyration(self)
4264 def get_mean_end_to_end_distance(self):
4265 r"""get_mean_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4266 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_end_to_end_distance(self)
4268 def get_mean_square_end_to_end_distance(self):
4269 r"""get_mean_square_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4270 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_end_to_end_distance(self)
4272 def get_mean_bond_distance(self):
4273 r"""get_mean_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4274 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_bond_distance(self)
4276 def get_mean_square_bond_distance(self):
4277 r"""get_mean_square_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4278 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_bond_distance(self)
4280 def do_update(self, call_num):
4281 r"""do_update(ChainStatisticsOptimizerState self, unsigned int call_num)"""
4282 return _IMP_npctransport.ChainStatisticsOptimizerState_do_update(self, call_num)
4284 def get_version_info(self):
4285 r"""get_version_info(ChainStatisticsOptimizerState self) -> VersionInfo"""
4286 return _IMP_npctransport.ChainStatisticsOptimizerState_get_version_info(self)
4287 __swig_destroy__ = _IMP_npctransport.delete_ChainStatisticsOptimizerState
4290 r"""__str__(ChainStatisticsOptimizerState self) -> std::string"""
4291 return _IMP_npctransport.ChainStatisticsOptimizerState___str__(self)
4294 r"""__repr__(ChainStatisticsOptimizerState self) -> std::string"""
4295 return _IMP_npctransport.ChainStatisticsOptimizerState___repr__(self)
4299 return _object_cast_to_ChainStatisticsOptimizerState(o)
4303 _IMP_npctransport.ChainStatisticsOptimizerState_swigregister(ChainStatisticsOptimizerState)
4305 r"""Proxy of C++ IMP::npctransport::BipartitePairsStatisticsOptimizerState class."""
4307 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4309 def __init__(self, statistics_manager, interaction_type, particlesI, particlesII, contact_range=1.0, slack=1.0):
4310 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"""
4311 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BipartitePairsStatisticsOptimizerState(statistics_manager, interaction_type, particlesI, particlesII, contact_range, slack))
4313 def get_interaction_type(self):
4314 r"""get_interaction_type(BipartitePairsStatisticsOptimizerState self) -> IMP::npctransport::InteractionType"""
4315 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_interaction_type(self)
4317 def get_average_number_of_contacts(self):
4318 r"""get_average_number_of_contacts(BipartitePairsStatisticsOptimizerState self) -> double"""
4319 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_number_of_contacts(self)
4321 def get_average_off_per_contact_per_ns(self):
4322 r"""get_average_off_per_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4323 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_contact_per_ns(self)
4325 def get_average_off_per_bound_I_per_ns(self):
4326 r"""get_average_off_per_bound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4327 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_I_per_ns(self)
4329 def get_average_off_per_bound_II_per_ns(self):
4330 r"""get_average_off_per_bound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4331 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_II_per_ns(self)
4333 def get_average_on_per_missing_contact_per_ns(self):
4334 r"""get_average_on_per_missing_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4335 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_missing_contact_per_ns(self)
4337 def get_average_on_per_unbound_I_per_ns(self):
4338 r"""get_average_on_per_unbound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4339 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_I_per_ns(self)
4341 def get_average_on_per_unbound_II_per_ns(self):
4342 r"""get_average_on_per_unbound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4343 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_II_per_ns(self)
4345 def get_average_fraction_bound_particles_I(self):
4346 r"""get_average_fraction_bound_particles_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4347 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_I(self)
4349 def get_average_fraction_bound_particles_II(self):
4350 r"""get_average_fraction_bound_particles_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4351 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_II(self)
4353 def get_average_fraction_bound_particle_sites_I(self):
4354 r"""get_average_fraction_bound_particle_sites_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4355 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_I(self)
4357 def get_average_fraction_bound_particle_sites_II(self):
4358 r"""get_average_fraction_bound_particle_sites_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4359 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_II(self)
4361 def get_average_fraction_nonspecific_interactions_I(self):
4362 r"""get_average_fraction_nonspecific_interactions_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4363 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_I(self)
4365 def get_average_fraction_nonspecific_interactions_II(self):
4366 r"""get_average_fraction_nonspecific_interactions_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4367 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_II(self)
4369 def get_number_of_particles_1(self):
4370 r"""get_number_of_particles_1(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4371 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_1(self)
4373 def get_number_of_particles_2(self):
4374 r"""get_number_of_particles_2(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4375 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_2(self)
4377 def get_misc_stats_period_ns(self):
4378 r"""get_misc_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4379 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_misc_stats_period_ns(self)
4381 def get_off_stats_period_ns(self):
4382 r"""get_off_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4383 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_stats_period_ns(self)
4385 def get_off_I_stats_period_ns(self):
4386 r"""get_off_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4387 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_I_stats_period_ns(self)
4389 def get_off_II_stats_period_ns(self):
4390 r"""get_off_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4391 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_II_stats_period_ns(self)
4393 def get_on_stats_period_ns(self):
4394 r"""get_on_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4395 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_stats_period_ns(self)
4397 def get_on_I_stats_period_ns(self):
4398 r"""get_on_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4399 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_I_stats_period_ns(self)
4401 def get_on_II_stats_period_ns(self):
4402 r"""get_on_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4403 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_II_stats_period_ns(self)
4405 def get_version_info(self):
4406 r"""get_version_info(BipartitePairsStatisticsOptimizerState self) -> VersionInfo"""
4407 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_version_info(self)
4408 __swig_destroy__ = _IMP_npctransport.delete_BipartitePairsStatisticsOptimizerState
4411 r"""__str__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4412 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___str__(self)
4415 r"""__repr__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4416 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___repr__(self)
4420 return _object_cast_to_BipartitePairsStatisticsOptimizerState(o)
4424 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swigregister(BipartitePairsStatisticsOptimizerState)
4426 def get_close_pairs_range(*args):
4428 get_close_pairs_range(double max_range, double max_range_factor) -> double
4429 get_close_pairs_range(::npctransport_proto::Assignment const & config) -> double
4431 return _IMP_npctransport.get_close_pairs_range(*args)
4435 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
4436 get_time_step(::npctransport_proto::Assignment const & config, double max_trans_relative_to_radius=0.1) -> double
4438 return _IMP_npctransport.get_time_step(*args)
4441 r"""get_frames_from_ns(double ns, double time_step) -> int"""
4442 return _IMP_npctransport.get_frames_from_ns(ns, time_step)
4445 r"""get_number_of_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4446 return _IMP_npctransport.get_number_of_frames(config, time_step)
4449 r"""get_dump_interval_in_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4450 return _IMP_npctransport.get_dump_interval_in_frames(config, time_step)
4453 r"""get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=0.1) -> int"""
4454 return _IMP_npctransport.get_statistics_interval_in_frames(assign, time_step, default_value_ns)
4457 r"""get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=1.0) -> int"""
4458 return _IMP_npctransport.get_output_statistics_interval_in_frames(assign, time_step, default_value_ns)
4461 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)"""
4462 return _IMP_npctransport.initialize_positions(*args)
4465 r"""get_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4466 return _IMP_npctransport.get_optimizable_particles(particles)
4469 r"""get_non_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4470 return _IMP_npctransport.get_non_optimizable_particles(particles)
4473 r"""get_particle_indexes(IMP::ParticlesTemp const & particles) -> IMP::ParticleIndexes"""
4474 return _IMP_npctransport.get_particle_indexes(particles)
4477 r"""get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)"""
4478 return _IMP_npctransport.get_protobuf_configuration_from_text(config_txt, config_pb)
4481 r"""get_spheres_from_vectors(IMP::algebra::Vector3Ds const & vs, double radius) -> IMP::algebra::Sphere3Ds"""
4482 return _IMP_npctransport.get_spheres_from_vectors(vs, radius)
4484 def get_spheres_centers(spheres):
4485 r"""get_spheres_centers(IMP::algebra::Sphere3Ds const & spheres) -> IMP::algebra::Vector3Ds"""
4486 return _IMP_npctransport.get_spheres_centers(spheres)
4489 r"""copy_particle_reference_frame_if_applicable(Particle src_p, Particle trg_p)"""
4490 return _IMP_npctransport.copy_particle_reference_frame_if_applicable(src_p, trg_p)
4493 r"""copy_hierarchy_reference_frame_recursive(Particle src_p, Particle trg_p)"""
4494 return _IMP_npctransport.copy_hierarchy_reference_frame_recursive(src_p, trg_p)
4497 r"""copy_FGs_coordinates(SimulationData src_sd, SimulationData trg_sd)"""
4498 return _IMP_npctransport.copy_FGs_coordinates(src_sd, trg_sd)
4499 class Avro2PBReader(object):
4500 r"""Proxy of C++ IMP::npctransport::Avro2PBReader class."""
4502 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4504 def __init__(self, *args):
4506 __init__(Avro2PBReader self, IMP::Strings const & avro_filenames) -> Avro2PBReader
4507 __init__(Avro2PBReader self, std::string avro_filename) -> Avro2PBReader
4509 _IMP_npctransport.Avro2PBReader_swiginit(self, _IMP_npctransport.new_Avro2PBReader(*args))
4510 __swig_destroy__ = _IMP_npctransport.delete_Avro2PBReader
4512 def read_next(self):
4513 r"""read_next(Avro2PBReader self) -> IMP::npctransport::Avro2PBReader::ByteBuffer"""
4514 return _IMP_npctransport.Avro2PBReader_read_next(self)
4516 def get_is_valid(self):
4517 r"""get_is_valid(Avro2PBReader self) -> bool"""
4518 return _IMP_npctransport.Avro2PBReader_get_is_valid(self)
4520 def get_cur_file_name(self):
4521 r"""get_cur_file_name(Avro2PBReader self) -> std::string"""
4522 return _IMP_npctransport.Avro2PBReader_get_cur_file_name(self)
4524 def show(self, *args):
4525 r"""show(Avro2PBReader self, _ostream out=std::cout)"""
4526 return _IMP_npctransport.Avro2PBReader_show(self, *args)
4529 r"""__str__(Avro2PBReader self) -> std::string"""
4530 return _IMP_npctransport.Avro2PBReader___str__(self)
4533 r"""__repr__(Avro2PBReader self) -> std::string"""
4534 return _IMP_npctransport.Avro2PBReader___repr__(self)
4537 _IMP_npctransport.Avro2PBReader_swigregister(Avro2PBReader)
4540 r"""startup(int argc) -> SimulationData"""
4541 return _IMP_npctransport.startup(argc)
4544 r"""remove_Nup42(SimulationData sd)"""
4545 return _IMP_npctransport.remove_Nup42(sd)
4548 r"""inflate_floater(SimulationData sd, std::string const floater_name, float const new_radius)"""
4549 return _IMP_npctransport.inflate_floater(sd, floater_name, new_radius)
4552 r"""reset_box_size(SimulationData sd, double box_size)"""
4553 return _IMP_npctransport.reset_box_size(sd, box_size)
4556 r"""do_main_loop(SimulationData sd, IMP::RestraintsTemp const & init_restraints)"""
4557 return _IMP_npctransport.do_main_loop(sd, init_restraints)
4560 from .npctransport_pb2
import *
4561 import google.protobuf
4563 print(
"no protobuf support in python")
4564 from ._configuration
import *
4570 r"""get_module_name() -> std::string const"""
4571 return _IMP_npctransport.get_module_name()
4574 r"""get_module_version() -> std::string const"""
4575 return _IMP_npctransport.get_module_version()
4578 r"""get_example_path(std::string fname) -> std::string"""
4579 return _IMP_npctransport.get_example_path(fname)
4582 r"""get_data_path(std::string fname) -> std::string"""
4583 return _IMP_npctransport.get_data_path(fname)
4585 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