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_GPERFTOOLS = _IMP_npctransport.IMP_KERNEL_HAS_GPERFTOOLS
189 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
191 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_npctransport.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
193 IMPKERNEL_SHOW_WARNINGS = _IMP_npctransport.IMPKERNEL_SHOW_WARNINGS
197 class _DirectorObjects:
198 """@internal Simple class to keep references to director objects
199 to prevent premature deletion."""
202 def register(self, obj):
203 """Take a reference to a director object; will only work for
204 refcounted C++ classes"""
205 if hasattr(obj,
'get_ref_count'):
206 self._objects.append(obj)
208 """Only drop our reference and allow cleanup by Python if no other
209 Python references exist (we hold 3 references: one in self._objects,
210 one in x, and one in the argument list for getrefcount) *and* no
211 other C++ references exist (the Python object always holds one)"""
212 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
213 or x.get_ref_count() > 1]
217 def get_object_count(self):
218 """Get number of director objects (useful for testing only)"""
219 return len(self._objects)
220 _director_objects = _DirectorObjects()
222 class _ostream(object):
223 r"""Proxy of C++ std::ostream class."""
225 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
227 def __init__(self, *args, **kwargs):
228 raise AttributeError(
"No constructor defined")
229 __repr__ = _swig_repr
231 def write(self, osa_buf):
232 r"""write(_ostream self, char const * osa_buf)"""
233 return _IMP_npctransport._ostream_write(self, osa_buf)
236 _IMP_npctransport._ostream_swigregister(_ostream)
237 IMP_C_OPEN_BINARY = _IMP_npctransport.IMP_C_OPEN_BINARY
240 IMP_BENCHMARK_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_FILESYSTEM
242 IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_PROGRAMOPTIONS
244 IMP_BENCHMARK_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_RANDOM
246 IMP_BENCHMARK_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_BENCHMARK_HAS_BOOST_SYSTEM
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_BOOST_SYSTEM = _IMP_npctransport.IMP_CGAL_HAS_BOOST_SYSTEM
261 IMP_CGAL_HAS_NUMPY = _IMP_npctransport.IMP_CGAL_HAS_NUMPY
263 IMPCGAL_SHOW_WARNINGS = _IMP_npctransport.IMPCGAL_SHOW_WARNINGS
266 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_IMP_CGAL
268 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
270 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
272 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_RANDOM
274 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ALGEBRA_HAS_BOOST_SYSTEM
276 IMP_ALGEBRA_HAS_CGAL = _IMP_npctransport.IMP_ALGEBRA_HAS_CGAL
278 IMP_ALGEBRA_HAS_NUMPY = _IMP_npctransport.IMP_ALGEBRA_HAS_NUMPY
280 IMP_ALGEBRA_HAS_ANN = _IMP_npctransport.IMP_ALGEBRA_HAS_ANN
282 IMPALGEBRA_SHOW_WARNINGS = _IMP_npctransport.IMPALGEBRA_SHOW_WARNINGS
285 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_IMP_CGAL
287 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
289 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
291 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_RANDOM
293 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_DISPLAY_HAS_BOOST_SYSTEM
295 IMP_DISPLAY_HAS_CGAL = _IMP_npctransport.IMP_DISPLAY_HAS_CGAL
297 IMP_DISPLAY_HAS_NUMPY = _IMP_npctransport.IMP_DISPLAY_HAS_NUMPY
299 IMPDISPLAY_SHOW_WARNINGS = _IMP_npctransport.IMPDISPLAY_SHOW_WARNINGS
302 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
304 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
306 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
308 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
310 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
312 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_CGAL
314 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_HDF5
316 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_npctransport.IMP_SCORE_FUNCTOR_HAS_NUMPY
318 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_npctransport.IMPSCOREFUNCTOR_SHOW_WARNINGS
321 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_IMP_CGAL
323 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
325 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
327 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_RANDOM
329 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_STATISTICS_HAS_BOOST_SYSTEM
331 IMP_STATISTICS_HAS_CGAL = _IMP_npctransport.IMP_STATISTICS_HAS_CGAL
333 IMP_STATISTICS_HAS_NUMPY = _IMP_npctransport.IMP_STATISTICS_HAS_NUMPY
335 IMPSTATISTICS_SHOW_WARNINGS = _IMP_npctransport.IMPSTATISTICS_SHOW_WARNINGS
338 IMP_CORE_HAS_IMP_CGAL = _IMP_npctransport.IMP_CORE_HAS_IMP_CGAL
340 IMP_CORE_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CORE_HAS_IMP_KERNEL
342 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_FILESYSTEM
344 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
346 IMP_CORE_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CORE_HAS_BOOST_RANDOM
348 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CORE_HAS_BOOST_SYSTEM
350 IMP_CORE_HAS_CGAL = _IMP_npctransport.IMP_CORE_HAS_CGAL
352 IMP_CORE_HAS_HDF5 = _IMP_npctransport.IMP_CORE_HAS_HDF5
354 IMP_CORE_HAS_NUMPY = _IMP_npctransport.IMP_CORE_HAS_NUMPY
356 IMPCORE_SHOW_WARNINGS = _IMP_npctransport.IMPCORE_SHOW_WARNINGS
359 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_ALGEBRA
361 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_CGAL
363 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_DISPLAY
365 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_KERNEL
367 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
369 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
371 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
373 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_RANDOM
375 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_CONTAINER_HAS_BOOST_SYSTEM
377 IMP_CONTAINER_HAS_CGAL = _IMP_npctransport.IMP_CONTAINER_HAS_CGAL
379 IMP_CONTAINER_HAS_HDF5 = _IMP_npctransport.IMP_CONTAINER_HAS_HDF5
381 IMP_CONTAINER_HAS_NUMPY = _IMP_npctransport.IMP_CONTAINER_HAS_NUMPY
383 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_npctransport.IMP_CONTAINER_HAS_PYTHON_IHM
385 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
387 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_npctransport.IMP_CONTAINER_HAS_ROBIN_MAP
389 IMPCONTAINER_SHOW_WARNINGS = _IMP_npctransport.IMPCONTAINER_SHOW_WARNINGS
392 IMP_ATOM_HAS_IMP_CGAL = _IMP_npctransport.IMP_ATOM_HAS_IMP_CGAL
394 IMP_ATOM_HAS_IMP_KERNEL = _IMP_npctransport.IMP_ATOM_HAS_IMP_KERNEL
396 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
398 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
400 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_RANDOM
402 IMP_ATOM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ATOM_HAS_BOOST_REGEX
404 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ATOM_HAS_BOOST_SYSTEM
406 IMP_ATOM_HAS_CGAL = _IMP_npctransport.IMP_ATOM_HAS_CGAL
408 IMP_ATOM_HAS_HDF5 = _IMP_npctransport.IMP_ATOM_HAS_HDF5
410 IMP_ATOM_HAS_NUMPY = _IMP_npctransport.IMP_ATOM_HAS_NUMPY
412 IMP_ATOM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ATOM_HAS_PYTHON_IHM
414 IMPATOM_SHOW_WARNINGS = _IMP_npctransport.IMPATOM_SHOW_WARNINGS
416 IMP_ATOM_TYPE_INDEX = _IMP_npctransport.IMP_ATOM_TYPE_INDEX
418 IMP_RESIDUE_TYPE_INDEX = _IMP_npctransport.IMP_RESIDUE_TYPE_INDEX
420 IMP_HIERARCHY_TYPE_INDEX = _IMP_npctransport.IMP_HIERARCHY_TYPE_INDEX
422 IMP_CHAIN_TYPE_INDEX = _IMP_npctransport.IMP_CHAIN_TYPE_INDEX
425 IMP_EM_HAS_IMP_CGAL = _IMP_npctransport.IMP_EM_HAS_IMP_CGAL
427 IMP_EM_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_EM_HAS_IMP_CONTAINER
429 IMP_EM_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_EM_HAS_IMP_DISPLAY
431 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_EM_HAS_IMP_SCORE_FUNCTOR
433 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_EM_HAS_BOOST_FILESYSTEM
435 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
437 IMP_EM_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_EM_HAS_BOOST_RANDOM
439 IMP_EM_HAS_BOOST_REGEX = _IMP_npctransport.IMP_EM_HAS_BOOST_REGEX
441 IMP_EM_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_EM_HAS_BOOST_SYSTEM
443 IMP_EM_HAS_CGAL = _IMP_npctransport.IMP_EM_HAS_CGAL
445 IMP_EM_HAS_HDF5 = _IMP_npctransport.IMP_EM_HAS_HDF5
447 IMP_EM_HAS_NUMPY = _IMP_npctransport.IMP_EM_HAS_NUMPY
449 IMP_EM_HAS_PYTHON_IHM = _IMP_npctransport.IMP_EM_HAS_PYTHON_IHM
451 IMPEM_SHOW_WARNINGS = _IMP_npctransport.IMPEM_SHOW_WARNINGS
454 IMP_SAXS_HAS_IMP_CGAL = _IMP_npctransport.IMP_SAXS_HAS_IMP_CGAL
456 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_npctransport.IMP_SAXS_HAS_IMP_CONTAINER
458 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_SAXS_HAS_IMP_DISPLAY
460 IMP_SAXS_HAS_IMP_KERNEL = _IMP_npctransport.IMP_SAXS_HAS_IMP_KERNEL
462 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
464 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_FILESYSTEM
466 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
468 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_RANDOM
470 IMP_SAXS_HAS_BOOST_REGEX = _IMP_npctransport.IMP_SAXS_HAS_BOOST_REGEX
472 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_SAXS_HAS_BOOST_SYSTEM
474 IMP_SAXS_HAS_CGAL = _IMP_npctransport.IMP_SAXS_HAS_CGAL
476 IMP_SAXS_HAS_HDF5 = _IMP_npctransport.IMP_SAXS_HAS_HDF5
478 IMP_SAXS_HAS_NUMPY = _IMP_npctransport.IMP_SAXS_HAS_NUMPY
480 IMP_SAXS_HAS_PYTHON_IHM = _IMP_npctransport.IMP_SAXS_HAS_PYTHON_IHM
482 IMPSAXS_SHOW_WARNINGS = _IMP_npctransport.IMPSAXS_SHOW_WARNINGS
485 IMP_ISD_HAS_IMP_CGAL = _IMP_npctransport.IMP_ISD_HAS_IMP_CGAL
487 IMP_ISD_HAS_IMP_DISPLAY = _IMP_npctransport.IMP_ISD_HAS_IMP_DISPLAY
489 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
491 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_ISD_HAS_BOOST_FILESYSTEM
493 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
495 IMP_ISD_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_ISD_HAS_BOOST_RANDOM
497 IMP_ISD_HAS_BOOST_REGEX = _IMP_npctransport.IMP_ISD_HAS_BOOST_REGEX
499 IMP_ISD_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_ISD_HAS_BOOST_SYSTEM
501 IMP_ISD_HAS_CGAL = _IMP_npctransport.IMP_ISD_HAS_CGAL
503 IMP_ISD_HAS_HDF5 = _IMP_npctransport.IMP_ISD_HAS_HDF5
505 IMP_ISD_HAS_NUMPY = _IMP_npctransport.IMP_ISD_HAS_NUMPY
507 IMP_ISD_HAS_PYTHON_IHM = _IMP_npctransport.IMP_ISD_HAS_PYTHON_IHM
509 IMPISD_SHOW_WARNINGS = _IMP_npctransport.IMPISD_SHOW_WARNINGS
512 IMP_RMF_HAS_IMP_CGAL = _IMP_npctransport.IMP_RMF_HAS_IMP_CGAL
514 IMP_RMF_HAS_IMP_EM = _IMP_npctransport.IMP_RMF_HAS_IMP_EM
516 IMP_RMF_HAS_IMP_SAXS = _IMP_npctransport.IMP_RMF_HAS_IMP_SAXS
518 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_npctransport.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
520 IMP_RMF_HAS_IMP_STATISTICS = _IMP_npctransport.IMP_RMF_HAS_IMP_STATISTICS
522 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_FILESYSTEM
524 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
526 IMP_RMF_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_RMF_HAS_BOOST_RANDOM
528 IMP_RMF_HAS_BOOST_REGEX = _IMP_npctransport.IMP_RMF_HAS_BOOST_REGEX
530 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_RMF_HAS_BOOST_SYSTEM
532 IMP_RMF_HAS_CGAL = _IMP_npctransport.IMP_RMF_HAS_CGAL
534 IMP_RMF_HAS_HDF5 = _IMP_npctransport.IMP_RMF_HAS_HDF5
536 IMP_RMF_HAS_NUMPY = _IMP_npctransport.IMP_RMF_HAS_NUMPY
538 IMP_RMF_HAS_PYTHON_IHM = _IMP_npctransport.IMP_RMF_HAS_PYTHON_IHM
540 IMPRMF_SHOW_WARNINGS = _IMP_npctransport.IMPRMF_SHOW_WARNINGS
544 IMP_NPCTRANSPORT_HAS_IMP_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_CGAL
546 IMP_NPCTRANSPORT_HAS_IMP_EM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_EM
548 IMP_NPCTRANSPORT_HAS_IMP_ISD = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_ISD
550 IMP_NPCTRANSPORT_HAS_IMP_SAXS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_IMP_SAXS
552 IMP_NPCTRANSPORT_HAS_ABSEIL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_ABSEIL
554 IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_FILESYSTEM
556 IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_PROGRAMOPTIONS
558 IMP_NPCTRANSPORT_HAS_BOOST_RANDOM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_RANDOM
560 IMP_NPCTRANSPORT_HAS_BOOST_REGEX = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_REGEX
562 IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_BOOST_SYSTEM
564 IMP_NPCTRANSPORT_HAS_CGAL = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_CGAL
566 IMP_NPCTRANSPORT_HAS_HDF5 = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_HDF5
568 IMP_NPCTRANSPORT_HAS_NUMPY = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_NUMPY
570 IMP_NPCTRANSPORT_HAS_PYTHON_IHM = _IMP_npctransport.IMP_NPCTRANSPORT_HAS_PYTHON_IHM
572 IMPNPCTRANSPORT_SHOW_WARNINGS = _IMP_npctransport.IMPNPCTRANSPORT_SHOW_WARNINGS
575 _object_types.append(
"SitesPairScore")
578 def _object_cast_to_SitesPairScore(o):
579 r"""_object_cast_to_SitesPairScore(Object o) -> SitesPairScore"""
580 return _IMP_npctransport._object_cast_to_SitesPairScore(o)
582 _object_types.append(
"Scoring")
585 def _object_cast_to_Scoring(o):
586 r"""_object_cast_to_Scoring(Object o) -> Scoring"""
587 return _IMP_npctransport._object_cast_to_Scoring(o)
589 _object_types.append(
"BrownianDynamicsTAMDWithSlabSupport")
592 def _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o):
593 r"""_object_cast_to_BrownianDynamicsTAMDWithSlabSupport(Object o) -> BrownianDynamicsTAMDWithSlabSupport"""
594 return _IMP_npctransport._object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
596 _object_types.append(
"Statistics")
599 def _object_cast_to_Statistics(o):
600 r"""_object_cast_to_Statistics(Object o) -> Statistics"""
601 return _IMP_npctransport._object_cast_to_Statistics(o)
603 _object_types.append(
"SimulationData")
606 def _object_cast_to_SimulationData(o):
607 r"""_object_cast_to_SimulationData(Object o) -> SimulationData"""
608 return _IMP_npctransport._object_cast_to_SimulationData(o)
610 _object_types.append(
"SitesGeometry")
613 def _object_cast_to_SitesGeometry(o):
614 r"""_object_cast_to_SitesGeometry(Object o) -> SitesGeometry"""
615 return _IMP_npctransport._object_cast_to_SitesGeometry(o)
617 _object_types.append(
"TypedSitesGeometry")
620 def _object_cast_to_TypedSitesGeometry(o):
621 r"""_object_cast_to_TypedSitesGeometry(Object o) -> TypedSitesGeometry"""
622 return _IMP_npctransport._object_cast_to_TypedSitesGeometry(o)
624 _object_types.append(
"SlabWithCylindricalPorePairScore")
627 def _object_cast_to_SlabWithCylindricalPorePairScore(o):
628 r"""_object_cast_to_SlabWithCylindricalPorePairScore(Object o) -> SlabWithCylindricalPorePairScore"""
629 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPorePairScore(o)
631 _object_types.append(
"SlabWithToroidalPorePairScore")
634 def _object_cast_to_SlabWithToroidalPorePairScore(o):
635 r"""_object_cast_to_SlabWithToroidalPorePairScore(Object o) -> SlabWithToroidalPorePairScore"""
636 return _IMP_npctransport._object_cast_to_SlabWithToroidalPorePairScore(o)
638 _object_types.append(
"PoreRadiusSingletonScore")
641 def _object_cast_to_PoreRadiusSingletonScore(o):
642 r"""_object_cast_to_PoreRadiusSingletonScore(Object o) -> PoreRadiusSingletonScore"""
643 return _IMP_npctransport._object_cast_to_PoreRadiusSingletonScore(o)
645 _object_types.append(
"ExcludeZRangeSingletonScore")
648 def _object_cast_to_ExcludeZRangeSingletonScore(o):
649 r"""_object_cast_to_ExcludeZRangeSingletonScore(Object o) -> ExcludeZRangeSingletonScore"""
650 return _IMP_npctransport._object_cast_to_ExcludeZRangeSingletonScore(o)
652 _object_types.append(
"ZBiasSingletonScore")
655 def _object_cast_to_ZBiasSingletonScore(o):
656 r"""_object_cast_to_ZBiasSingletonScore(Object o) -> ZBiasSingletonScore"""
657 return _IMP_npctransport._object_cast_to_ZBiasSingletonScore(o)
659 _object_types.append(
"SlabWithCylindricalPoreWireGeometry")
662 def _object_cast_to_SlabWithCylindricalPoreWireGeometry(o):
663 r"""_object_cast_to_SlabWithCylindricalPoreWireGeometry(Object o) -> SlabWithCylindricalPoreWireGeometry"""
664 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
666 _object_types.append(
"SlabWithCylindricalPoreSurfaceGeometry")
669 def _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o):
670 r"""_object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(Object o) -> SlabWithCylindricalPoreSurfaceGeometry"""
671 return _IMP_npctransport._object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
673 _object_types.append(
"SlabWithToroidalPoreWireGeometry")
676 def _object_cast_to_SlabWithToroidalPoreWireGeometry(o):
677 r"""_object_cast_to_SlabWithToroidalPoreWireGeometry(Object o) -> SlabWithToroidalPoreWireGeometry"""
678 return _IMP_npctransport._object_cast_to_SlabWithToroidalPoreWireGeometry(o)
680 _object_types.append(
"LinearSoftSpherePairScore")
683 def _object_cast_to_LinearSoftSpherePairScore(o):
684 r"""_object_cast_to_LinearSoftSpherePairScore(Object o) -> LinearSoftSpherePairScore"""
685 return _IMP_npctransport._object_cast_to_LinearSoftSpherePairScore(o)
687 _object_types.append(
"FunctorLinearSoftSpherePairScore")
690 def _object_cast_to_FunctorLinearSoftSpherePairScore(o):
691 r"""_object_cast_to_FunctorLinearSoftSpherePairScore(Object o) -> FunctorLinearSoftSpherePairScore"""
692 return _IMP_npctransport._object_cast_to_FunctorLinearSoftSpherePairScore(o)
694 _object_types.append(
"LinearInteractionPairScore")
697 def _object_cast_to_LinearInteractionPairScore(o):
698 r"""_object_cast_to_LinearInteractionPairScore(Object o) -> LinearInteractionPairScore"""
699 return _IMP_npctransport._object_cast_to_LinearInteractionPairScore(o)
701 _object_types.append(
"FunctorLinearInteractionPairScore")
704 def _object_cast_to_FunctorLinearInteractionPairScore(o):
705 r"""_object_cast_to_FunctorLinearInteractionPairScore(Object o) -> FunctorLinearInteractionPairScore"""
706 return _IMP_npctransport._object_cast_to_FunctorLinearInteractionPairScore(o)
708 _object_types.append(
"LinearWellPairScore")
711 def _object_cast_to_LinearWellPairScore(o):
712 r"""_object_cast_to_LinearWellPairScore(Object o) -> LinearWellPairScore"""
713 return _IMP_npctransport._object_cast_to_LinearWellPairScore(o)
715 _object_types.append(
"HarmonicSpringSingletonScore")
718 def _object_cast_to_HarmonicSpringSingletonScore(o):
719 r"""_object_cast_to_HarmonicSpringSingletonScore(Object o) -> HarmonicSpringSingletonScore"""
720 return _IMP_npctransport._object_cast_to_HarmonicSpringSingletonScore(o)
722 _object_types.append(
"HierarchyWithSitesSaveLink")
725 def _object_cast_to_HierarchyWithSitesSaveLink(o):
726 r"""_object_cast_to_HierarchyWithSitesSaveLink(Object o) -> HierarchyWithSitesSaveLink"""
727 return _IMP_npctransport._object_cast_to_HierarchyWithSitesSaveLink(o)
729 _object_types.append(
"HierarchyWithSitesLoadLink")
732 def _object_cast_to_HierarchyWithSitesLoadLink(o):
733 r"""_object_cast_to_HierarchyWithSitesLoadLink(Object o) -> HierarchyWithSitesLoadLink"""
734 return _IMP_npctransport._object_cast_to_HierarchyWithSitesLoadLink(o)
736 _object_types.append(
"ChainStatisticsOptimizerState")
739 def _object_cast_to_ChainStatisticsOptimizerState(o):
740 r"""_object_cast_to_ChainStatisticsOptimizerState(Object o) -> ChainStatisticsOptimizerState"""
741 return _IMP_npctransport._object_cast_to_ChainStatisticsOptimizerState(o)
743 _object_types.append(
"BodyStatisticsOptimizerState")
746 def _object_cast_to_BodyStatisticsOptimizerState(o):
747 r"""_object_cast_to_BodyStatisticsOptimizerState(Object o) -> BodyStatisticsOptimizerState"""
748 return _IMP_npctransport._object_cast_to_BodyStatisticsOptimizerState(o)
750 _object_types.append(
"BipartitePairsStatisticsOptimizerState")
753 def _object_cast_to_BipartitePairsStatisticsOptimizerState(o):
754 r"""_object_cast_to_BipartitePairsStatisticsOptimizerState(Object o) -> BipartitePairsStatisticsOptimizerState"""
755 return _IMP_npctransport._object_cast_to_BipartitePairsStatisticsOptimizerState(o)
757 _object_types.append(
"ParticleTransportStatisticsOptimizerState")
760 def _object_cast_to_ParticleTransportStatisticsOptimizerState(o):
761 r"""_object_cast_to_ParticleTransportStatisticsOptimizerState(Object o) -> ParticleTransportStatisticsOptimizerState"""
762 return _IMP_npctransport._object_cast_to_ParticleTransportStatisticsOptimizerState(o)
764 _object_types.append(
"FGChain")
767 def _object_cast_to_FGChain(o):
768 r"""_object_cast_to_FGChain(Object o) -> FGChain"""
769 return _IMP_npctransport._object_cast_to_FGChain(o)
771 _object_types.append(
"ParticleFactory")
774 def _object_cast_to_ParticleFactory(o):
775 r"""_object_cast_to_ParticleFactory(Object o) -> ParticleFactory"""
776 return _IMP_npctransport._object_cast_to_ParticleFactory(o)
779 _plural_types.append(
"Avro2PBReaders")
780 _value_types.append(
"Avro2PBReader")
783 SitesPairScoreParametersList=list
784 _plural_types.append(
"SitesPairScoreParametersList")
785 _value_types.append(
"SitesPairScoreParameters")
788 def Transportings(l=[]):
789 return [Transporting(x)
for x
in l]
790 _plural_types.append(
"Transportings")
793 _value_types.append(
"Transporting")
796 def SlabWithPores(l=[]):
797 return [SlabWithPore(x)
for x
in l]
798 _plural_types.append(
"SlabWithPores")
801 _value_types.append(
"SlabWithPore")
804 def SlabWithCylindricalPores(l=[]):
805 return [SlabWithCylindricalPore(x)
for x
in l]
806 _plural_types.append(
"SlabWithCylindricalPores")
809 _value_types.append(
"SlabWithCylindricalPore")
812 def RelaxingSprings(l=[]):
813 return [RelaxingSpring(x)
for x
in l]
814 _plural_types.append(
"RelaxingSprings")
817 _value_types.append(
"RelaxingSpring")
820 def SlabWithToroidalPores(l=[]):
821 return [SlabWithToroidalPore(x)
for x
in l]
822 _plural_types.append(
"SlabWithToroidalPores")
825 _value_types.append(
"SlabWithToroidalPore")
827 class _DoubleParameter(object):
828 r"""Proxy of C++ IMP::npctransport::Parameter< double > class."""
830 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
831 __repr__ = _swig_repr
833 def __init__(self, *args):
835 __init__(_DoubleParameter self) -> _DoubleParameter
836 __init__(_DoubleParameter self, double t) -> _DoubleParameter
838 _IMP_npctransport._DoubleParameter_swiginit(self, _IMP_npctransport.new__DoubleParameter(*args))
841 r"""get_value(_DoubleParameter self) -> double"""
842 return _IMP_npctransport._DoubleParameter_get_value(self)
845 r"""is_init(_DoubleParameter self) -> bool"""
846 return _IMP_npctransport._DoubleParameter_is_init(self)
847 __swig_destroy__ = _IMP_npctransport.delete__DoubleParameter
850 _IMP_npctransport._DoubleParameter_swigregister(_DoubleParameter)
851 class _IntParameter(object):
852 r"""Proxy of C++ IMP::npctransport::Parameter< int > class."""
854 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
855 __repr__ = _swig_repr
857 def __init__(self, *args):
859 __init__(_IntParameter self) -> _IntParameter
860 __init__(_IntParameter self, int t) -> _IntParameter
862 _IMP_npctransport._IntParameter_swiginit(self, _IMP_npctransport.new__IntParameter(*args))
865 r"""get_value(_IntParameter self) -> int"""
866 return _IMP_npctransport._IntParameter_get_value(self)
869 r"""is_init(_IntParameter self) -> bool"""
870 return _IMP_npctransport._IntParameter_is_init(self)
871 __swig_destroy__ = _IMP_npctransport.delete__IntParameter
874 _IMP_npctransport._IntParameter_swigregister(_IntParameter)
875 class _BoolParameter(object):
876 r"""Proxy of C++ IMP::npctransport::Parameter< bool > class."""
878 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
879 __repr__ = _swig_repr
881 def __init__(self, *args):
883 __init__(_BoolParameter self) -> _BoolParameter
884 __init__(_BoolParameter self, bool t) -> _BoolParameter
886 _IMP_npctransport._BoolParameter_swiginit(self, _IMP_npctransport.new__BoolParameter(*args))
889 r"""get_value(_BoolParameter self) -> bool"""
890 return _IMP_npctransport._BoolParameter_get_value(self)
893 r"""is_init(_BoolParameter self) -> bool"""
894 return _IMP_npctransport._BoolParameter_is_init(self)
895 __swig_destroy__ = _IMP_npctransport.delete__BoolParameter
898 _IMP_npctransport._BoolParameter_swigregister(_BoolParameter)
901 r"""make_ordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
902 return _IMP_npctransport.make_ordered_interaction_type(t0, t1)
905 r"""make_unordered_interaction_type(ParticleType t0, ParticleType t1) -> IMP::npctransport::InteractionType"""
906 return _IMP_npctransport.make_unordered_interaction_type(t0, t1)
910 make_unordered_particle_index_pair(ParticleIndex pi0, ParticleIndex pi1) -> IMP::ParticleIndexPair
911 make_unordered_particle_index_pair(IMP::ParticleIndexPair pip) -> IMP::ParticleIndexPair
913 return _IMP_npctransport.make_unordered_particle_index_pair(*args)
915 r"""Proxy of C++ IMP::npctransport::LinearSoftSpherePairScore class."""
917 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
919 def __init__(self, *args):
920 r"""__init__(LinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> LinearSoftSpherePairScore"""
921 _IMP_npctransport.LinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_LinearSoftSpherePairScore(*args))
923 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
924 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"""
925 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
927 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
928 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"""
929 return _IMP_npctransport.LinearSoftSpherePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
931 def do_get_inputs(self, m, pis):
932 r"""do_get_inputs(LinearSoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
933 return _IMP_npctransport.LinearSoftSpherePairScore_do_get_inputs(self, m, pis)
936 r"""get_k(LinearSoftSpherePairScore self) -> double"""
937 return _IMP_npctransport.LinearSoftSpherePairScore_get_k(self)
939 def get_version_info(self):
940 r"""get_version_info(LinearSoftSpherePairScore self) -> VersionInfo"""
941 return _IMP_npctransport.LinearSoftSpherePairScore_get_version_info(self)
942 __swig_destroy__ = _IMP_npctransport.delete_LinearSoftSpherePairScore
945 r"""__str__(LinearSoftSpherePairScore self) -> std::string"""
946 return _IMP_npctransport.LinearSoftSpherePairScore___str__(self)
949 r"""__repr__(LinearSoftSpherePairScore self) -> std::string"""
950 return _IMP_npctransport.LinearSoftSpherePairScore___repr__(self)
954 return _object_cast_to_LinearSoftSpherePairScore(o)
958 _IMP_npctransport.LinearSoftSpherePairScore_swigregister(LinearSoftSpherePairScore)
960 r"""Proxy of C++ IMP::npctransport::LinearInteractionPairScore class."""
962 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
964 def __init__(self, *args):
965 r"""__init__(LinearInteractionPairScore self, double k_rep, double range_attr, double k_attr, std::string name="LinearIDPairScore%1%") -> LinearInteractionPairScore"""
966 _IMP_npctransport.LinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_LinearInteractionPairScore(*args))
968 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
969 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"""
970 return _IMP_npctransport.LinearInteractionPairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
972 def evaluate_if_good_index(self, *args):
974 evaluate_if_good_index(LinearInteractionPairScore self, Model m, IMP::ParticleIndexPair const & p, DerivativeAccumulator da, double max) -> double
975 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
977 return _IMP_npctransport.LinearInteractionPairScore_evaluate_if_good_index(self, *args)
979 def do_get_inputs(self, m, pis):
980 r"""do_get_inputs(LinearInteractionPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
981 return _IMP_npctransport.LinearInteractionPairScore_do_get_inputs(self, m, pis)
983 def get_range_attraction(self):
984 r"""get_range_attraction(LinearInteractionPairScore self) -> double"""
985 return _IMP_npctransport.LinearInteractionPairScore_get_range_attraction(self)
987 def get_k_attraction(self):
988 r"""get_k_attraction(LinearInteractionPairScore self) -> double"""
989 return _IMP_npctransport.LinearInteractionPairScore_get_k_attraction(self)
991 def set_k_attraction(self, k_attr):
992 r"""set_k_attraction(LinearInteractionPairScore self, double k_attr)"""
993 return _IMP_npctransport.LinearInteractionPairScore_set_k_attraction(self, k_attr)
995 def get_k_repulsion(self):
996 r"""get_k_repulsion(LinearInteractionPairScore self) -> double"""
997 return _IMP_npctransport.LinearInteractionPairScore_get_k_repulsion(self)
999 def set_k_repulsion(self, k_rep):
1000 r"""set_k_repulsion(LinearInteractionPairScore self, double k_rep)"""
1001 return _IMP_npctransport.LinearInteractionPairScore_set_k_repulsion(self, k_rep)
1003 def get_version_info(self):
1004 r"""get_version_info(LinearInteractionPairScore self) -> VersionInfo"""
1005 return _IMP_npctransport.LinearInteractionPairScore_get_version_info(self)
1006 __swig_destroy__ = _IMP_npctransport.delete_LinearInteractionPairScore
1009 r"""__str__(LinearInteractionPairScore self) -> std::string"""
1010 return _IMP_npctransport.LinearInteractionPairScore___str__(self)
1013 r"""__repr__(LinearInteractionPairScore self) -> std::string"""
1014 return _IMP_npctransport.LinearInteractionPairScore___repr__(self)
1018 return _object_cast_to_LinearInteractionPairScore(o)
1022 _IMP_npctransport.LinearInteractionPairScore_swigregister(LinearInteractionPairScore)
1024 r"""Proxy of C++ IMP::npctransport::LinearWellPairScore class."""
1026 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1028 def __init__(self, *args):
1029 r"""__init__(LinearWellPairScore self, double rest_length_factor, double k, std::string name="LinearIDPairScore%1%") -> LinearWellPairScore"""
1030 _IMP_npctransport.LinearWellPairScore_swiginit(self, _IMP_npctransport.new_LinearWellPairScore(*args))
1032 def set_rest_length_factor(self, rest_length_factor):
1033 r"""set_rest_length_factor(LinearWellPairScore self, double rest_length_factor)"""
1034 return _IMP_npctransport.LinearWellPairScore_set_rest_length_factor(self, rest_length_factor)
1036 def get_rest_length_factor(self):
1037 r"""get_rest_length_factor(LinearWellPairScore self) -> double"""
1038 return _IMP_npctransport.LinearWellPairScore_get_rest_length_factor(self)
1041 r"""set_k(LinearWellPairScore self, double k)"""
1042 return _IMP_npctransport.LinearWellPairScore_set_k(self, k)
1045 r"""get_k(LinearWellPairScore self) -> double"""
1046 return _IMP_npctransport.LinearWellPairScore_get_k(self)
1048 def do_get_inputs(self, m, pis):
1049 r"""do_get_inputs(LinearWellPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1050 return _IMP_npctransport.LinearWellPairScore_do_get_inputs(self, m, pis)
1052 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1053 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"""
1054 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1056 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1057 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"""
1058 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1060 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1061 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"""
1062 return _IMP_npctransport.LinearWellPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1064 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1065 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"""
1066 return _IMP_npctransport.LinearWellPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1068 def get_version_info(self):
1069 r"""get_version_info(LinearWellPairScore self) -> VersionInfo"""
1070 return _IMP_npctransport.LinearWellPairScore_get_version_info(self)
1071 __swig_destroy__ = _IMP_npctransport.delete_LinearWellPairScore
1074 r"""__str__(LinearWellPairScore self) -> std::string"""
1075 return _IMP_npctransport.LinearWellPairScore___str__(self)
1078 r"""__repr__(LinearWellPairScore self) -> std::string"""
1079 return _IMP_npctransport.LinearWellPairScore___repr__(self)
1083 return _object_cast_to_LinearWellPairScore(o)
1087 _IMP_npctransport.LinearWellPairScore_swigregister(LinearWellPairScore)
1089 r"""Proxy of C++ IMP::npctransport::RelaxingSpring class."""
1091 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1093 def __init__(self, *args):
1095 __init__(RelaxingSpring self) -> RelaxingSpring
1096 __init__(RelaxingSpring self, Model m, ParticleIndex id) -> RelaxingSpring
1097 __init__(RelaxingSpring self, _ParticleAdaptor d) -> RelaxingSpring
1099 _IMP_npctransport.RelaxingSpring_swiginit(self, _IMP_npctransport.new_RelaxingSpring(*args))
1101 def show(self, *args):
1102 r"""show(RelaxingSpring self, _ostream out=std::cout)"""
1103 return _IMP_npctransport.RelaxingSpring_show(self, *args)
1106 def setup_particle(*args):
1108 setup_particle(Model m, ParticleIndex pi, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1109 setup_particle(_ParticleAdaptor pa, ParticleIndex bonded_pi0, ParticleIndex bonded_pi1, double equilibrium_rest_length_factor, double rest_length_diffusion_coefficient) -> RelaxingSpring
1111 return _IMP_npctransport.RelaxingSpring_setup_particle(*args)
1114 def get_is_setup(*args):
1116 get_is_setup(_ParticleAdaptor p) -> bool
1117 get_is_setup(Model m, ParticleIndex pi) -> bool
1119 return _IMP_npctransport.RelaxingSpring_get_is_setup(*args)
1122 def get_bonded_particle_0_key():
1123 r"""get_bonded_particle_0_key() -> ParticleIndexKey"""
1124 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0_key()
1127 def get_bonded_particle_1_key():
1128 r"""get_bonded_particle_1_key() -> ParticleIndexKey"""
1129 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1_key()
1132 def get_equilibrium_rest_length_factor_key():
1133 r"""get_equilibrium_rest_length_factor_key() -> FloatKey"""
1134 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor_key()
1137 def get_rest_length_key():
1138 r"""get_rest_length_key() -> FloatKey"""
1139 return _IMP_npctransport.RelaxingSpring_get_rest_length_key()
1142 def get_rest_length_diffusion_coefficient_key():
1143 r"""get_rest_length_diffusion_coefficient_key() -> FloatKey"""
1144 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient_key()
1146 def get_bonded_particle_0(self):
1147 r"""get_bonded_particle_0(RelaxingSpring self) -> Particle"""
1148 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_0(self)
1150 def get_bonded_particle_1(self):
1151 r"""get_bonded_particle_1(RelaxingSpring self) -> Particle"""
1152 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_1(self)
1154 def get_bonded_particle_index_0(self):
1155 r"""get_bonded_particle_index_0(RelaxingSpring self) -> ParticleIndex"""
1156 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_0(self)
1158 def get_bonded_particle_index_1(self):
1159 r"""get_bonded_particle_index_1(RelaxingSpring self) -> ParticleIndex"""
1160 return _IMP_npctransport.RelaxingSpring_get_bonded_particle_index_1(self)
1162 def get_equilibrium_rest_length_factor(self):
1163 r"""get_equilibrium_rest_length_factor(RelaxingSpring self) -> IMP::Float"""
1164 return _IMP_npctransport.RelaxingSpring_get_equilibrium_rest_length_factor(self)
1166 def set_equilibrium_rest_length_factor(self, t):
1167 r"""set_equilibrium_rest_length_factor(RelaxingSpring self, IMP::Float t)"""
1168 return _IMP_npctransport.RelaxingSpring_set_equilibrium_rest_length_factor(self, t)
1170 def get_rest_length(self):
1171 r"""get_rest_length(RelaxingSpring self) -> IMP::Float"""
1172 return _IMP_npctransport.RelaxingSpring_get_rest_length(self)
1174 def set_rest_length(self, t):
1175 r"""set_rest_length(RelaxingSpring self, IMP::Float t)"""
1176 return _IMP_npctransport.RelaxingSpring_set_rest_length(self, t)
1178 def get_rest_length_diffusion_coefficient(self):
1179 r"""get_rest_length_diffusion_coefficient(RelaxingSpring self) -> IMP::Float"""
1180 return _IMP_npctransport.RelaxingSpring_get_rest_length_diffusion_coefficient(self)
1182 def set_rest_length_diffusion_coefficient(self, t):
1183 r"""set_rest_length_diffusion_coefficient(RelaxingSpring self, IMP::Float t)"""
1184 return _IMP_npctransport.RelaxingSpring_set_rest_length_diffusion_coefficient(self, t)
1186 def add_to_rest_length_derivative(self, d, da):
1187 r"""add_to_rest_length_derivative(RelaxingSpring self, double d, DerivativeAccumulator da)"""
1188 return _IMP_npctransport.RelaxingSpring_add_to_rest_length_derivative(self, d, da)
1190 def get_rest_length_derivative(self):
1191 r"""get_rest_length_derivative(RelaxingSpring self) -> double"""
1192 return _IMP_npctransport.RelaxingSpring_get_rest_length_derivative(self)
1194 def add_attribute(self, *args):
1196 add_attribute(RelaxingSpring self, FloatKey k, IMP::Float v, bool opt)
1197 add_attribute(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1198 add_attribute(RelaxingSpring self, IntKey a0, IMP::Int a1)
1199 add_attribute(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1200 add_attribute(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1201 add_attribute(RelaxingSpring self, StringKey a0, IMP::String a1)
1202 add_attribute(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1203 add_attribute(RelaxingSpring self, ObjectKey a0, Object a1)
1204 add_attribute(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1205 add_attribute(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1206 add_attribute(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1207 add_attribute(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1209 return _IMP_npctransport.RelaxingSpring_add_attribute(self, *args)
1211 def get_value(self, *args):
1213 get_value(RelaxingSpring self, FloatKey a0) -> IMP::Float
1214 get_value(RelaxingSpring self, IntKey a0) -> IMP::Int
1215 get_value(RelaxingSpring self, FloatsKey a0) -> IMP::Floats
1216 get_value(RelaxingSpring self, IntsKey a0) -> IMP::Ints
1217 get_value(RelaxingSpring self, StringKey a0) -> IMP::String
1218 get_value(RelaxingSpring self, ParticleIndexKey a0) -> Particle
1219 get_value(RelaxingSpring self, ObjectKey a0) -> Object
1220 get_value(RelaxingSpring self, SparseFloatKey a0) -> IMP::Float
1221 get_value(RelaxingSpring self, SparseIntKey a0) -> IMP::Int
1222 get_value(RelaxingSpring self, SparseStringKey a0) -> IMP::String
1223 get_value(RelaxingSpring self, SparseParticleIndexKey a0) -> ParticleIndex
1225 return _IMP_npctransport.RelaxingSpring_get_value(self, *args)
1227 def set_value(self, *args):
1229 set_value(RelaxingSpring self, FloatKey a0, IMP::Float a1)
1230 set_value(RelaxingSpring self, IntKey a0, IMP::Int a1)
1231 set_value(RelaxingSpring self, FloatsKey a0, IMP::Floats a1)
1232 set_value(RelaxingSpring self, IntsKey a0, IMP::Ints a1)
1233 set_value(RelaxingSpring self, StringKey a0, IMP::String a1)
1234 set_value(RelaxingSpring self, ParticleIndexKey a0, Particle a1)
1235 set_value(RelaxingSpring self, ObjectKey a0, Object a1)
1236 set_value(RelaxingSpring self, SparseFloatKey a0, IMP::Float a1)
1237 set_value(RelaxingSpring self, SparseIntKey a0, IMP::Int a1)
1238 set_value(RelaxingSpring self, SparseStringKey a0, IMP::String a1)
1239 set_value(RelaxingSpring self, SparseParticleIndexKey a0, ParticleIndex a1)
1241 return _IMP_npctransport.RelaxingSpring_set_value(self, *args)
1243 def remove_attribute(self, *args):
1245 remove_attribute(RelaxingSpring self, FloatKey a0)
1246 remove_attribute(RelaxingSpring self, IntKey a0)
1247 remove_attribute(RelaxingSpring self, FloatsKey a0)
1248 remove_attribute(RelaxingSpring self, IntsKey a0)
1249 remove_attribute(RelaxingSpring self, StringKey a0)
1250 remove_attribute(RelaxingSpring self, ParticleIndexKey a0)
1251 remove_attribute(RelaxingSpring self, ObjectKey a0)
1252 remove_attribute(RelaxingSpring self, SparseFloatKey a0)
1253 remove_attribute(RelaxingSpring self, SparseIntKey a0)
1254 remove_attribute(RelaxingSpring self, SparseStringKey a0)
1255 remove_attribute(RelaxingSpring self, SparseParticleIndexKey a0)
1257 return _IMP_npctransport.RelaxingSpring_remove_attribute(self, *args)
1259 def has_attribute(self, *args):
1261 has_attribute(RelaxingSpring self, FloatKey a0) -> bool
1262 has_attribute(RelaxingSpring self, IntKey a0) -> bool
1263 has_attribute(RelaxingSpring self, FloatsKey a0) -> bool
1264 has_attribute(RelaxingSpring self, IntsKey a0) -> bool
1265 has_attribute(RelaxingSpring self, StringKey a0) -> bool
1266 has_attribute(RelaxingSpring self, ParticleIndexKey a0) -> bool
1267 has_attribute(RelaxingSpring self, ObjectKey a0) -> bool
1268 has_attribute(RelaxingSpring self, SparseFloatKey a0) -> bool
1269 has_attribute(RelaxingSpring self, SparseIntKey a0) -> bool
1270 has_attribute(RelaxingSpring self, SparseStringKey a0) -> bool
1271 has_attribute(RelaxingSpring self, SparseParticleIndexKey a0) -> bool
1273 return _IMP_npctransport.RelaxingSpring_has_attribute(self, *args)
1275 def get_derivative(self, a0):
1276 r"""get_derivative(RelaxingSpring self, FloatKey a0) -> double"""
1277 return _IMP_npctransport.RelaxingSpring_get_derivative(self, a0)
1280 r"""get_name(RelaxingSpring self) -> std::string"""
1281 return _IMP_npctransport.RelaxingSpring_get_name(self)
1283 def clear_caches(self):
1284 r"""clear_caches(RelaxingSpring self)"""
1285 return _IMP_npctransport.RelaxingSpring_clear_caches(self)
1287 def set_name(self, a0):
1288 r"""set_name(RelaxingSpring self, std::string a0)"""
1289 return _IMP_npctransport.RelaxingSpring_set_name(self, a0)
1292 r"""set_check_level(RelaxingSpring self, IMP::CheckLevel a0)"""
1293 return _IMP_npctransport.RelaxingSpring_set_check_level(self, a0)
1295 def add_to_derivative(self, a0, a1, a2):
1296 r"""add_to_derivative(RelaxingSpring self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1297 return _IMP_npctransport.RelaxingSpring_add_to_derivative(self, a0, a1, a2)
1299 def set_is_optimized(self, a0, a1):
1300 r"""set_is_optimized(RelaxingSpring self, FloatKey a0, bool a1)"""
1301 return _IMP_npctransport.RelaxingSpring_set_is_optimized(self, a0, a1)
1303 def get_is_optimized(self, a0):
1304 r"""get_is_optimized(RelaxingSpring self, FloatKey a0) -> bool"""
1305 return _IMP_npctransport.RelaxingSpring_get_is_optimized(self, a0)
1308 r"""get_check_level(RelaxingSpring self) -> IMP::CheckLevel"""
1309 return _IMP_npctransport.RelaxingSpring_get_check_level(self)
1311 def __eq__(self, *args):
1313 __eq__(RelaxingSpring self, RelaxingSpring o) -> bool
1314 __eq__(RelaxingSpring self, Particle d) -> bool
1316 return _IMP_npctransport.RelaxingSpring___eq__(self, *args)
1318 def __ne__(self, *args):
1320 __ne__(RelaxingSpring self, RelaxingSpring o) -> bool
1321 __ne__(RelaxingSpring self, Particle d) -> bool
1323 return _IMP_npctransport.RelaxingSpring___ne__(self, *args)
1325 def __le__(self, *args):
1327 __le__(RelaxingSpring self, RelaxingSpring o) -> bool
1328 __le__(RelaxingSpring self, Particle d) -> bool
1330 return _IMP_npctransport.RelaxingSpring___le__(self, *args)
1332 def __lt__(self, *args):
1334 __lt__(RelaxingSpring self, RelaxingSpring o) -> bool
1335 __lt__(RelaxingSpring self, Particle d) -> bool
1337 return _IMP_npctransport.RelaxingSpring___lt__(self, *args)
1339 def __ge__(self, *args):
1341 __ge__(RelaxingSpring self, RelaxingSpring o) -> bool
1342 __ge__(RelaxingSpring self, Particle d) -> bool
1344 return _IMP_npctransport.RelaxingSpring___ge__(self, *args)
1346 def __gt__(self, *args):
1348 __gt__(RelaxingSpring self, RelaxingSpring o) -> bool
1349 __gt__(RelaxingSpring self, Particle d) -> bool
1351 return _IMP_npctransport.RelaxingSpring___gt__(self, *args)
1354 r"""__hash__(RelaxingSpring self) -> std::size_t"""
1355 return _IMP_npctransport.RelaxingSpring___hash__(self)
1358 r"""__str__(RelaxingSpring self) -> std::string"""
1359 return _IMP_npctransport.RelaxingSpring___str__(self)
1362 r"""__repr__(RelaxingSpring self) -> std::string"""
1363 return _IMP_npctransport.RelaxingSpring___repr__(self)
1365 def _get_as_binary(self):
1366 r"""_get_as_binary(RelaxingSpring self) -> PyObject *"""
1367 return _IMP_npctransport.RelaxingSpring__get_as_binary(self)
1369 def _set_from_binary(self, p):
1370 r"""_set_from_binary(RelaxingSpring self, PyObject * p)"""
1371 return _IMP_npctransport.RelaxingSpring__set_from_binary(self, p)
1373 def __getstate__(self):
1374 p = self._get_as_binary()
1375 if len(self.__dict__) > 1:
1376 d = self.__dict__.copy()
1381 def __setstate__(self, p):
1382 if not hasattr(self,
'this'):
1384 if isinstance(p, tuple):
1386 self.__dict__.update(d)
1387 return self._set_from_binary(p)
1389 __swig_destroy__ = _IMP_npctransport.delete_RelaxingSpring
1392 _IMP_npctransport.RelaxingSpring_swigregister(RelaxingSpring)
1394 r"""Proxy of C++ IMP::npctransport::HarmonicSpringSingletonScore class."""
1396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1398 def __init__(self, *args):
1399 r"""__init__(HarmonicSpringSingletonScore self, double k1, double k2, std::string name="HarmonicSpringSingletonScore%1%") -> HarmonicSpringSingletonScore"""
1400 _IMP_npctransport.HarmonicSpringSingletonScore_swiginit(self, _IMP_npctransport.new_HarmonicSpringSingletonScore(*args))
1402 def set_k1(self, k1):
1403 r"""set_k1(HarmonicSpringSingletonScore self, double k1)"""
1404 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k1(self, k1)
1407 r"""get_k1(HarmonicSpringSingletonScore self) -> double"""
1408 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k1(self)
1410 def set_k2(self, k2):
1411 r"""set_k2(HarmonicSpringSingletonScore self, double k2)"""
1412 return _IMP_npctransport.HarmonicSpringSingletonScore_set_k2(self, k2)
1415 r"""get_k2(HarmonicSpringSingletonScore self) -> double"""
1416 return _IMP_npctransport.HarmonicSpringSingletonScore_get_k2(self)
1418 def do_get_inputs(self, m, pis):
1419 r"""do_get_inputs(HarmonicSpringSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1420 return _IMP_npctransport.HarmonicSpringSingletonScore_do_get_inputs(self, m, pis)
1422 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1423 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"""
1424 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1426 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1427 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"""
1428 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1430 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1431 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"""
1432 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1434 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1435 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"""
1436 return _IMP_npctransport.HarmonicSpringSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1438 def get_version_info(self):
1439 r"""get_version_info(HarmonicSpringSingletonScore self) -> VersionInfo"""
1440 return _IMP_npctransport.HarmonicSpringSingletonScore_get_version_info(self)
1441 __swig_destroy__ = _IMP_npctransport.delete_HarmonicSpringSingletonScore
1444 r"""__str__(HarmonicSpringSingletonScore self) -> std::string"""
1445 return _IMP_npctransport.HarmonicSpringSingletonScore___str__(self)
1448 r"""__repr__(HarmonicSpringSingletonScore self) -> std::string"""
1449 return _IMP_npctransport.HarmonicSpringSingletonScore___repr__(self)
1453 return _object_cast_to_HarmonicSpringSingletonScore(o)
1457 _IMP_npctransport.HarmonicSpringSingletonScore_swigregister(HarmonicSpringSingletonScore)
1458 class LinearInteraction(object):
1459 r"""Proxy of C++ IMP::npctransport::LinearInteraction class."""
1461 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1462 __repr__ = _swig_repr
1464 def __init__(self, *args):
1466 __init__(LinearInteraction self, double krep, double attr_range, double kattr) -> LinearInteraction
1467 __init__(LinearInteraction self) -> LinearInteraction
1469 _IMP_npctransport.LinearInteraction_swiginit(self, _IMP_npctransport.new_LinearInteraction(*args))
1471 def show(self, *args):
1472 r"""show(LinearInteraction self, _ostream out=std::cout)"""
1473 return _IMP_npctransport.LinearInteraction_show(self, *args)
1474 __swig_destroy__ = _IMP_npctransport.delete_LinearInteraction
1477 _IMP_npctransport.LinearInteraction_swigregister(LinearInteraction)
1479 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearSoftSphereScore > class."""
1481 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1482 __repr__ = _swig_repr
1484 def __init__(self, *args):
1486 __init__(_DistancePairScoreForLinearSoftSphere self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearSoftSphere
1487 __init__(_DistancePairScoreForLinearSoftSphere self) -> _DistancePairScoreForLinearSoftSphere
1489 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearSoftSphere(*args))
1491 def do_get_inputs(self, m, pis):
1492 r"""do_get_inputs(_DistancePairScoreForLinearSoftSphere self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1493 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_do_get_inputs(self, m, pis)
1495 def get_score_functor(self):
1496 r"""get_score_functor(_DistancePairScoreForLinearSoftSphere self) -> IMP::score_functor::SphereDistance< IMP::score_functor::LinearLowerBound > &"""
1497 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_score_functor(self)
1499 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1500 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"""
1501 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1503 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1504 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"""
1505 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1507 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1508 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"""
1509 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1511 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1512 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"""
1513 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1515 def get_version_info(self):
1516 r"""get_version_info(_DistancePairScoreForLinearSoftSphere self) -> VersionInfo"""
1517 return _IMP_npctransport._DistancePairScoreForLinearSoftSphere_get_version_info(self)
1518 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearSoftSphere
1521 _IMP_npctransport._DistancePairScoreForLinearSoftSphere_swigregister(_DistancePairScoreForLinearSoftSphere)
1522 class _DistancePairScoreForLinearInteraction(
IMP.PairScore):
1523 r"""Proxy of C++ IMP::score_functor::DistancePairScore< IMP::npctransport::LinearInteractionScore > class."""
1525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1526 __repr__ = _swig_repr
1528 def __init__(self, *args):
1530 __init__(_DistancePairScoreForLinearInteraction self, IMP::score_functor::DistancePairScore< IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > >::DistanceScore const & t0, std::string name="FunctorDistancePairScore %1%") -> _DistancePairScoreForLinearInteraction
1531 __init__(_DistancePairScoreForLinearInteraction self) -> _DistancePairScoreForLinearInteraction
1533 _IMP_npctransport._DistancePairScoreForLinearInteraction_swiginit(self, _IMP_npctransport.new__DistancePairScoreForLinearInteraction(*args))
1535 def do_get_inputs(self, m, pis):
1536 r"""do_get_inputs(_DistancePairScoreForLinearInteraction self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
1537 return _IMP_npctransport._DistancePairScoreForLinearInteraction_do_get_inputs(self, m, pis)
1539 def get_score_functor(self):
1540 r"""get_score_functor(_DistancePairScoreForLinearInteraction self) -> IMP::score_functor::SphereDistance< IMP::npctransport::LinearInteraction > &"""
1541 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_score_functor(self)
1543 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1544 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"""
1545 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1547 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
1548 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"""
1549 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
1551 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
1552 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"""
1553 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
1555 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1556 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"""
1557 return _IMP_npctransport._DistancePairScoreForLinearInteraction_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1559 def get_version_info(self):
1560 r"""get_version_info(_DistancePairScoreForLinearInteraction self) -> VersionInfo"""
1561 return _IMP_npctransport._DistancePairScoreForLinearInteraction_get_version_info(self)
1562 __swig_destroy__ = _IMP_npctransport.delete__DistancePairScoreForLinearInteraction
1565 _IMP_npctransport._DistancePairScoreForLinearInteraction_swigregister(_DistancePairScoreForLinearInteraction)
1566 class FunctorLinearSoftSpherePairScore(_DistancePairScoreForLinearSoftSphere):
1567 r"""Proxy of C++ IMP::npctransport::FunctorLinearSoftSpherePairScore class."""
1569 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1571 def __init__(self, *args):
1572 r"""__init__(FunctorLinearSoftSpherePairScore self, double k, std::string name="LinearSSPairScore%1%") -> FunctorLinearSoftSpherePairScore"""
1573 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearSoftSpherePairScore(*args))
1574 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearSoftSpherePairScore
1577 r"""__str__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1578 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___str__(self)
1581 r"""__repr__(FunctorLinearSoftSpherePairScore self) -> std::string"""
1582 return _IMP_npctransport.FunctorLinearSoftSpherePairScore___repr__(self)
1586 return _object_cast_to_FunctorLinearSoftSpherePairScore(o)
1590 _IMP_npctransport.FunctorLinearSoftSpherePairScore_swigregister(FunctorLinearSoftSpherePairScore)
1591 class FunctorLinearInteractionPairScore(_DistancePairScoreForLinearInteraction):
1592 r"""Proxy of C++ IMP::npctransport::FunctorLinearInteractionPairScore class."""
1594 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1596 def __init__(self, *args):
1597 r"""__init__(FunctorLinearInteractionPairScore self, double krep, double attr_range, double kattr, std::string name="LinearSSPairScore%1%") -> FunctorLinearInteractionPairScore"""
1598 _IMP_npctransport.FunctorLinearInteractionPairScore_swiginit(self, _IMP_npctransport.new_FunctorLinearInteractionPairScore(*args))
1599 __swig_destroy__ = _IMP_npctransport.delete_FunctorLinearInteractionPairScore
1602 r"""__str__(FunctorLinearInteractionPairScore self) -> std::string"""
1603 return _IMP_npctransport.FunctorLinearInteractionPairScore___str__(self)
1606 r"""__repr__(FunctorLinearInteractionPairScore self) -> std::string"""
1607 return _IMP_npctransport.FunctorLinearInteractionPairScore___repr__(self)
1611 return _object_cast_to_FunctorLinearInteractionPairScore(o)
1615 _IMP_npctransport.FunctorLinearInteractionPairScore_swigregister(FunctorLinearInteractionPairScore)
1617 r"""Proxy of C++ IMP::npctransport::BrownianDynamicsTAMDWithSlabSupport class."""
1619 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1621 def __init__(self, *args):
1622 r"""__init__(BrownianDynamicsTAMDWithSlabSupport self, Model m, std::string name="BrownianDynamicsTAMDWithSlabSupport%1%", double wave_factor=1.0) -> BrownianDynamicsTAMDWithSlabSupport"""
1623 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swiginit(self, _IMP_npctransport.new_BrownianDynamicsTAMDWithSlabSupport(*args))
1626 r"""__str__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1627 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___str__(self)
1630 r"""__repr__(BrownianDynamicsTAMDWithSlabSupport self) -> std::string"""
1631 return _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport___repr__(self)
1635 return _object_cast_to_BrownianDynamicsTAMDWithSlabSupport(o)
1637 __swig_destroy__ = _IMP_npctransport.delete_BrownianDynamicsTAMDWithSlabSupport
1640 _IMP_npctransport.BrownianDynamicsTAMDWithSlabSupport_swigregister(BrownianDynamicsTAMDWithSlabSupport)
1641 class SitesPairScoreParameters(object):
1642 r"""Proxy of C++ IMP::npctransport::SitesPairScoreParameters class."""
1644 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1645 r = property(_IMP_npctransport.SitesPairScoreParameters_r_get, _IMP_npctransport.SitesPairScoreParameters_r_set, doc=
r"""r : double""")
1646 k = property(_IMP_npctransport.SitesPairScoreParameters_k_get, _IMP_npctransport.SitesPairScoreParameters_k_set, doc=
r"""k : double""")
1647 r2 = property(_IMP_npctransport.SitesPairScoreParameters_r2_get, _IMP_npctransport.SitesPairScoreParameters_r2_set, doc=
r"""r2 : double""")
1648 kr = property(_IMP_npctransport.SitesPairScoreParameters_kr_get, _IMP_npctransport.SitesPairScoreParameters_kr_set, doc=
r"""kr : double""")
1649 kr2 = property(_IMP_npctransport.SitesPairScoreParameters_kr2_get, _IMP_npctransport.SitesPairScoreParameters_kr2_set, doc=
r"""kr2 : double""")
1650 cosSigma1_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma1_max_set, doc=
r"""cosSigma1_max : double""")
1651 cosSigma2_max = property(_IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_get, _IMP_npctransport.SitesPairScoreParameters_cosSigma2_max_set, doc=
r"""cosSigma2_max : double""")
1652 is_orientational = property(_IMP_npctransport.SitesPairScoreParameters_is_orientational_get, _IMP_npctransport.SitesPairScoreParameters_is_orientational_set, doc=
r"""is_orientational : bool""")
1654 def __init__(self, range, k_coefficient, sigma1_max_deg=0.0, sigma2_max_deg=0.0):
1655 r"""__init__(SitesPairScoreParameters self, double range, double k_coefficient, double sigma1_max_deg=0.0, double sigma2_max_deg=0.0) -> SitesPairScoreParameters"""
1656 _IMP_npctransport.SitesPairScoreParameters_swiginit(self, _IMP_npctransport.new_SitesPairScoreParameters(range, k_coefficient, sigma1_max_deg, sigma2_max_deg))
1658 def set_range(self, r):
1659 r"""set_range(SitesPairScoreParameters self, double r)"""
1660 return _IMP_npctransport.SitesPairScoreParameters_set_range(self, r)
1662 def set_force_coefficient(self, k):
1663 r"""set_force_coefficient(SitesPairScoreParameters self, double k)"""
1664 return _IMP_npctransport.SitesPairScoreParameters_set_force_coefficient(self, k)
1666 def set_sigma1_max(self, sigma1_max_deg):
1667 r"""set_sigma1_max(SitesPairScoreParameters self, double sigma1_max_deg)"""
1668 return _IMP_npctransport.SitesPairScoreParameters_set_sigma1_max(self, sigma1_max_deg)
1670 def set_sigma2_max(self, sigma2_max_deg):
1671 r"""set_sigma2_max(SitesPairScoreParameters self, double sigma2_max_deg)"""
1672 return _IMP_npctransport.SitesPairScoreParameters_set_sigma2_max(self, sigma2_max_deg)
1674 def update_is_orientational(self):
1675 r"""update_is_orientational(SitesPairScoreParameters self)"""
1676 return _IMP_npctransport.SitesPairScoreParameters_update_is_orientational(self)
1678 def show(self, *args):
1679 r"""show(SitesPairScoreParameters self, _ostream out=std::cout)"""
1680 return _IMP_npctransport.SitesPairScoreParameters_show(self, *args)
1683 r"""__str__(SitesPairScoreParameters self) -> std::string"""
1684 return _IMP_npctransport.SitesPairScoreParameters___str__(self)
1687 r"""__repr__(SitesPairScoreParameters self) -> std::string"""
1688 return _IMP_npctransport.SitesPairScoreParameters___repr__(self)
1689 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScoreParameters
1692 _IMP_npctransport.SitesPairScoreParameters_swigregister(SitesPairScoreParameters)
1694 r"""Proxy of C++ IMP::npctransport::SitesGeometry class."""
1696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1698 def __init__(self, p, sites):
1699 r"""__init__(SitesGeometry self, Particle p, IMP::algebra::Sphere3Ds sites) -> SitesGeometry"""
1700 _IMP_npctransport.SitesGeometry_swiginit(self, _IMP_npctransport.new_SitesGeometry(p, sites))
1701 __swig_destroy__ = _IMP_npctransport.delete_SitesGeometry
1704 r"""__str__(SitesGeometry self) -> std::string"""
1705 return _IMP_npctransport.SitesGeometry___str__(self)
1708 r"""__repr__(SitesGeometry self) -> std::string"""
1709 return _IMP_npctransport.SitesGeometry___repr__(self)
1713 return _object_cast_to_SitesGeometry(o)
1717 _IMP_npctransport.SitesGeometry_swigregister(SitesGeometry)
1719 r"""Proxy of C++ IMP::npctransport::TypedSitesGeometry class."""
1721 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1723 def __init__(self, sc):
1724 r"""__init__(TypedSitesGeometry self, _SingletonContainerAdaptor sc) -> TypedSitesGeometry"""
1725 _IMP_npctransport.TypedSitesGeometry_swiginit(self, _IMP_npctransport.new_TypedSitesGeometry(sc))
1727 def set_sites(self, t, s):
1728 r"""set_sites(TypedSitesGeometry self, ParticleType t, IMP::algebra::Sphere3Ds s)"""
1729 return _IMP_npctransport.TypedSitesGeometry_set_sites(self, t, s)
1731 def get_version_info(self):
1732 r"""get_version_info(TypedSitesGeometry self) -> VersionInfo"""
1733 return _IMP_npctransport.TypedSitesGeometry_get_version_info(self)
1734 __swig_destroy__ = _IMP_npctransport.delete_TypedSitesGeometry
1737 r"""__str__(TypedSitesGeometry self) -> std::string"""
1738 return _IMP_npctransport.TypedSitesGeometry___str__(self)
1741 r"""__repr__(TypedSitesGeometry self) -> std::string"""
1742 return _IMP_npctransport.TypedSitesGeometry___repr__(self)
1746 return _object_cast_to_TypedSitesGeometry(o)
1750 _IMP_npctransport.TypedSitesGeometry_swigregister(TypedSitesGeometry)
1751 class SitesPairScore(LinearInteractionPairScore):
1752 r"""Proxy of C++ IMP::npctransport::SitesPairScore class."""
1754 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1756 def __init__(self, range, k, sigma0_deg, sigma1_deg, range_nonspec_attraction, k_nonspec_attraction, k_nonspec_repulsion, sites0, sites1):
1757 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"""
1758 _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))
1760 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
1761 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"""
1762 return _IMP_npctransport.SitesPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
1764 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
1765 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"""
1766 return _IMP_npctransport.SitesPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
1768 def get_sites_range(self):
1769 r"""get_sites_range(SitesPairScore self) -> double"""
1770 return _IMP_npctransport.SitesPairScore_get_sites_range(self)
1772 def get_sites_k(self):
1773 r"""get_sites_k(SitesPairScore self) -> double"""
1774 return _IMP_npctransport.SitesPairScore_get_sites_k(self)
1776 def get_parameters(self):
1777 r"""get_parameters(SitesPairScore self) -> SitesPairScoreParameters"""
1778 return _IMP_npctransport.SitesPairScore_get_parameters(self)
1779 __swig_destroy__ = _IMP_npctransport.delete_SitesPairScore
1781 def set_sites(self, sites0, sites1):
1782 r"""set_sites(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0, IMP::algebra::Sphere3Ds const & sites1)"""
1783 return _IMP_npctransport.SitesPairScore_set_sites(self, sites0, sites1)
1785 def set_sites0(self, sites0):
1786 r"""set_sites0(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites0)"""
1787 return _IMP_npctransport.SitesPairScore_set_sites0(self, sites0)
1789 def set_sites1(self, sites1):
1790 r"""set_sites1(SitesPairScore self, IMP::algebra::Sphere3Ds const & sites1)"""
1791 return _IMP_npctransport.SitesPairScore_set_sites1(self, sites1)
1794 r"""__str__(SitesPairScore self) -> std::string"""
1795 return _IMP_npctransport.SitesPairScore___str__(self)
1798 r"""__repr__(SitesPairScore self) -> std::string"""
1799 return _IMP_npctransport.SitesPairScore___repr__(self)
1803 return _object_cast_to_SitesPairScore(o)
1807 _IMP_npctransport.SitesPairScore_swigregister(SitesPairScore)
1809 r"""Proxy of C++ IMP::npctransport::FGChain class."""
1811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1813 def __init__(self, *args):
1814 r"""__init__(FGChain self, Particle root, double backbone_k=0.0, double rest_length_factor=1.0, std::string name="chain %1%") -> FGChain"""
1815 _IMP_npctransport.FGChain_swiginit(self, _IMP_npctransport.new_FGChain(*args))
1818 r"""get_root(FGChain self) -> Hierarchy"""
1819 return _IMP_npctransport.FGChain_get_root(self)
1821 def get_beads(self):
1822 r"""get_beads(FGChain self) -> IMP::ParticlesTemp"""
1823 return _IMP_npctransport.FGChain_get_beads(self)
1825 def get_bead(self, i):
1826 r"""get_bead(FGChain self, unsigned int i) -> Particle"""
1827 return _IMP_npctransport.FGChain_get_bead(self, i)
1829 def get_bead_index(self, i):
1830 r"""get_bead_index(FGChain self, unsigned int i) -> ParticleIndex"""
1831 return _IMP_npctransport.FGChain_get_bead_index(self, i)
1833 def get_number_of_beads(self):
1834 r"""get_number_of_beads(FGChain self) -> unsigned int"""
1835 return _IMP_npctransport.FGChain_get_number_of_beads(self)
1837 def get_chain_restraints(self, scoring_manager):
1838 r"""get_chain_restraints(FGChain self, Scoring scoring_manager) -> IMP::Restraints"""
1839 return _IMP_npctransport.FGChain_get_chain_restraints(self, scoring_manager)
1841 def set_rest_length_factor(self, rlf):
1842 r"""set_rest_length_factor(FGChain self, double rlf)"""
1843 return _IMP_npctransport.FGChain_set_rest_length_factor(self, rlf)
1845 def set_backbone_k(self, k):
1846 r"""set_backbone_k(FGChain self, double k)"""
1847 return _IMP_npctransport.FGChain_set_backbone_k(self, k)
1849 def get_rest_length_factor(self):
1850 r"""get_rest_length_factor(FGChain self) -> double"""
1851 return _IMP_npctransport.FGChain_get_rest_length_factor(self)
1853 def get_backbone_k(self):
1854 r"""get_backbone_k(FGChain self) -> double"""
1855 return _IMP_npctransport.FGChain_get_backbone_k(self)
1857 def get_version_info(self):
1858 r"""get_version_info(FGChain self) -> VersionInfo"""
1859 return _IMP_npctransport.FGChain_get_version_info(self)
1860 __swig_destroy__ = _IMP_npctransport.delete_FGChain
1863 r"""__str__(FGChain self) -> std::string"""
1864 return _IMP_npctransport.FGChain___str__(self)
1867 r"""__repr__(FGChain self) -> std::string"""
1868 return _IMP_npctransport.FGChain___repr__(self)
1872 return _object_cast_to_FGChain(o)
1876 _IMP_npctransport.FGChain_swigregister(FGChain)
1879 r"""create_fg_chain(SimulationData sd, Hierarchy parent, ::npctransport_proto::Assignment_FGAssignment const & fg_data, Color c) -> FGChain"""
1880 return _IMP_npctransport.create_fg_chain(sd, parent, fg_data, c)
1884 get_fg_chain(Hierarchy root) -> FGChain
1885 get_fg_chain(Particle p_root) -> FGChain
1887 return _IMP_npctransport.get_fg_chain(*args)
1889 r"""Proxy of C++ IMP::npctransport::Scoring class."""
1891 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1893 def __init__(self, owner_sd, data):
1894 r"""__init__(Scoring self, SimulationData owner_sd, ::npctransport_proto::Assignment const & data) -> Scoring"""
1895 _IMP_npctransport.Scoring_swiginit(self, _IMP_npctransport.new_Scoring(owner_sd, data))
1897 def get_scoring_function(self, force_update=False):
1898 r"""get_scoring_function(Scoring self, bool force_update=False) -> ScoringFunction"""
1899 return _IMP_npctransport.Scoring_get_scoring_function(self, force_update)
1901 def get_scoring_function_restraints(self, force_update=False):
1902 r"""get_scoring_function_restraints(Scoring self, bool force_update=False) -> IMP::Restraints"""
1903 return _IMP_npctransport.Scoring_get_scoring_function_restraints(self, force_update)
1905 def get_custom_scoring_function(self, *args):
1907 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
1908 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
1910 return _IMP_npctransport.Scoring_get_custom_scoring_function(self, *args)
1912 def get_close_beads_container(self, update=False):
1913 r"""get_close_beads_container(Scoring self, bool update=False) -> PairContainer"""
1914 return _IMP_npctransport.Scoring_get_close_beads_container(self, update)
1916 def get_predicates_pair_restraint(self, update=False):
1917 r"""get_predicates_pair_restraint(Scoring self, bool update=False) -> PredicatePairsRestraint"""
1918 return _IMP_npctransport.Scoring_get_predicates_pair_restraint(self, update)
1920 def get_bounding_volume_restraint(self, update=False):
1921 r"""get_bounding_volume_restraint(Scoring self, bool update=False) -> Restraint"""
1922 return _IMP_npctransport.Scoring_get_bounding_volume_restraint(self, update)
1924 def get_slab_restraint(self, update=False):
1925 r"""get_slab_restraint(Scoring self, bool update=False) -> Restraint"""
1926 return _IMP_npctransport.Scoring_get_slab_restraint(self, update)
1928 def add_interaction(self, idata):
1929 r"""add_interaction(Scoring self, ::npctransport_proto::Assignment_InteractionAssignment const & idata)"""
1930 return _IMP_npctransport.Scoring_add_interaction(self, idata)
1932 def create_close_beads_container(self, *args):
1934 create_close_beads_container(Scoring self, _SingletonContainerAdaptor non_optimiziable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1935 create_close_beads_container(Scoring self, IMP::ParticleIndexes non_optimizable_beads, _SingletonContainerAdaptor optimizable_beads) -> PairContainer
1937 return _IMP_npctransport.Scoring_create_close_beads_container(self, *args)
1939 def create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on=True):
1940 r"""create_predicates_pair_restraint(Scoring self, PairContainer bead_pairs, bool is_attr_interactions_on=True) -> PredicatePairsRestraint"""
1941 return _IMP_npctransport.Scoring_create_predicates_pair_restraint(self, bead_pairs, is_attr_interactions_on)
1943 def create_bounding_volume_restraint(self, beads):
1944 r"""create_bounding_volume_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1945 return _IMP_npctransport.Scoring_create_bounding_volume_restraint(self, beads)
1947 def create_slab_restraint(self, beads):
1948 r"""create_slab_restraint(Scoring self, _SingletonContainerAdaptor beads) -> Restraint"""
1949 return _IMP_npctransport.Scoring_create_slab_restraint(self, beads)
1951 def get_model(self):
1952 r"""get_model(Scoring self) -> Model"""
1953 return _IMP_npctransport.Scoring_get_model(self)
1956 r"""get_sd(Scoring self) -> SimulationData"""
1957 return _IMP_npctransport.Scoring_get_sd(self)
1959 def get_has_bounding_box(self):
1960 r"""get_has_bounding_box(Scoring self) -> bool"""
1961 return _IMP_npctransport.Scoring_get_has_bounding_box(self)
1963 def get_has_bounding_sphere(self):
1964 r"""get_has_bounding_sphere(Scoring self) -> bool"""
1965 return _IMP_npctransport.Scoring_get_has_bounding_sphere(self)
1967 def get_has_bounding_volume(self):
1968 r"""get_has_bounding_volume(Scoring self) -> bool"""
1969 return _IMP_npctransport.Scoring_get_has_bounding_volume(self)
1971 def get_default_backbone_k(self):
1972 r"""get_default_backbone_k(Scoring self) -> double"""
1973 return _IMP_npctransport.Scoring_get_default_backbone_k(self)
1975 def get_is_backbone_harmonic(self):
1976 r"""get_is_backbone_harmonic(Scoring self) -> bool"""
1977 return _IMP_npctransport.Scoring_get_is_backbone_harmonic(self)
1979 def get_excluded_volume_k(self):
1980 r"""get_excluded_volume_k(Scoring self) -> double"""
1981 return _IMP_npctransport.Scoring_get_excluded_volume_k(self)
1983 def get_interaction_k(self):
1984 r"""get_interaction_k(Scoring self) -> double"""
1985 return _IMP_npctransport.Scoring_get_interaction_k(self)
1987 def get_predicate_pair_score(self, *args):
1989 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1990 get_predicate_pair_score(Scoring self, ParticleType t1, ParticleType t2) -> PairScore
1992 return _IMP_npctransport.Scoring_get_predicate_pair_score(self, *args)
1994 def get_interaction_range_for(self, t1, t2, site_specific=True, non_specific=False):
1995 r"""get_interaction_range_for(Scoring self, ParticleType t1, ParticleType t2, bool site_specific=True, bool non_specific=False) -> double"""
1996 return _IMP_npctransport.Scoring_get_interaction_range_for(self, t1, t2, site_specific, non_specific)
1998 def get_ordered_type_pair_predicate(self):
1999 r"""get_ordered_type_pair_predicate(Scoring self) -> OrderedTypePairPredicate"""
2000 return _IMP_npctransport.Scoring_get_ordered_type_pair_predicate(self)
2002 def add_chain_restraints(self, chain):
2003 r"""add_chain_restraints(Scoring self, FGChain chain)"""
2004 return _IMP_npctransport.Scoring_add_chain_restraints(self, chain)
2006 def get_chain_restraints_on(self, beads):
2007 r"""get_chain_restraints_on(Scoring self, _SingletonContainerAdaptor beads) -> IMP::Restraints"""
2008 return _IMP_npctransport.Scoring_get_chain_restraints_on(self, beads)
2010 def get_all_chain_restraints(self):
2011 r"""get_all_chain_restraints(Scoring self) -> IMP::Restraints"""
2012 return _IMP_npctransport.Scoring_get_all_chain_restraints(self)
2014 def remove_particle_type(self, pt):
2015 r"""remove_particle_type(Scoring self, ParticleType pt)"""
2016 return _IMP_npctransport.Scoring_remove_particle_type(self, pt)
2018 def add_z_bias_restraint(self, *args):
2020 add_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k)
2021 add_z_bias_restraint(Scoring self, Particle p, double k)
2023 return _IMP_npctransport.Scoring_add_z_bias_restraint(self, *args)
2025 def get_z_bias_restraints(self):
2026 r"""get_z_bias_restraints(Scoring self) -> IMP::Restraints"""
2027 return _IMP_npctransport.Scoring_get_z_bias_restraints(self)
2029 def create_z_bias_restraint(self, ps, k):
2030 r"""create_z_bias_restraint(Scoring self, _SingletonContainerAdaptor ps, double k) -> Restraint"""
2031 return _IMP_npctransport.Scoring_create_z_bias_restraint(self, ps, k)
2033 def add_custom_restraint(self, r):
2034 r"""add_custom_restraint(Scoring self, Restraint r)"""
2035 return _IMP_npctransport.Scoring_add_custom_restraint(self, r)
2037 def add_custom_restraints(self, R):
2038 r"""add_custom_restraints(Scoring self, IMP::Restraints R)"""
2039 return _IMP_npctransport.Scoring_add_custom_restraints(self, R)
2041 def clear_custom_restraints(self):
2042 r"""clear_custom_restraints(Scoring self)"""
2043 return _IMP_npctransport.Scoring_clear_custom_restraints(self)
2045 def get_custom_restraints(self):
2046 r"""get_custom_restraints(Scoring self) -> IMP::Restraints"""
2047 return _IMP_npctransport.Scoring_get_custom_restraints(self)
2049 def add_restrained_anchor_bead(self, p):
2050 r"""add_restrained_anchor_bead(Scoring self, Particle p)"""
2051 return _IMP_npctransport.Scoring_add_restrained_anchor_bead(self, p)
2053 def get_pore_radius_restraint(self):
2054 r"""get_pore_radius_restraint(Scoring self) -> Restraint"""
2055 return _IMP_npctransport.Scoring_get_pore_radius_restraint(self)
2057 def get_range(self):
2058 r"""get_range(Scoring self) -> double"""
2059 return _IMP_npctransport.Scoring_get_range(self)
2061 def set_interaction_range_factor(self, type, value):
2062 r"""set_interaction_range_factor(Scoring self, ParticleType type, double value)"""
2063 return _IMP_npctransport.Scoring_set_interaction_range_factor(self, type, value)
2065 def set_interaction_k_factor(self, type, value):
2066 r"""set_interaction_k_factor(Scoring self, ParticleType type, double value)"""
2067 return _IMP_npctransport.Scoring_set_interaction_k_factor(self, type, value)
2069 def get_version_info(self):
2070 r"""get_version_info(Scoring self) -> VersionInfo"""
2071 return _IMP_npctransport.Scoring_get_version_info(self)
2072 __swig_destroy__ = _IMP_npctransport.delete_Scoring
2075 r"""__str__(Scoring self) -> std::string"""
2076 return _IMP_npctransport.Scoring___str__(self)
2079 r"""__repr__(Scoring self) -> std::string"""
2080 return _IMP_npctransport.Scoring___repr__(self)
2084 return _object_cast_to_Scoring(o)
2088 _IMP_npctransport.Scoring_swigregister(Scoring)
2089 class SimpleTimer(object):
2090 r"""Proxy of C++ IMP::internal::SimpleTimer class."""
2092 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2093 __repr__ = _swig_repr
2096 r"""__init__(SimpleTimer self) -> SimpleTimer"""
2097 _IMP_npctransport.SimpleTimer_swiginit(self, _IMP_npctransport.new_SimpleTimer())
2098 __swig_destroy__ = _IMP_npctransport.delete_SimpleTimer
2101 _IMP_npctransport.SimpleTimer_swigregister(SimpleTimer)
2103 r"""Proxy of C++ IMP::npctransport::Statistics class."""
2105 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2107 def remove_particle_type(self, pt):
2108 r"""remove_particle_type(Statistics self, ParticleType pt)"""
2109 return _IMP_npctransport.Statistics_remove_particle_type(self, pt)
2111 def __init__(self, sd, statistics_interval_frames, output_file_name):
2112 r"""__init__(Statistics self, SimulationData sd, unsigned int statistics_interval_frames, std::string output_file_name) -> Statistics"""
2113 _IMP_npctransport.Statistics_swiginit(self, _IMP_npctransport.new_Statistics(sd, statistics_interval_frames, output_file_name))
2115 def add_fg_chain_stats(self, fg_chain):
2116 r"""add_fg_chain_stats(Statistics self, FGChain fg_chain)"""
2117 return _IMP_npctransport.Statistics_add_fg_chain_stats(self, fg_chain)
2119 def add_floater_stats(self, p):
2120 r"""add_floater_stats(Statistics self, Particle p)"""
2121 return _IMP_npctransport.Statistics_add_floater_stats(self, p)
2123 def add_interaction_stats(self, type0, type1):
2124 r"""add_interaction_stats(Statistics self, ParticleType type0, ParticleType type1)"""
2125 return _IMP_npctransport.Statistics_add_interaction_stats(self, type0, type1)
2127 def add_optimizer_states(self, o=None):
2128 r"""add_optimizer_states(Statistics self, Optimizer o=None) -> IMP::OptimizerStates"""
2129 return _IMP_npctransport.Statistics_add_optimizer_states(self, o)
2131 def update_particle_type_zr_distribution_map(self, p):
2132 r"""update_particle_type_zr_distribution_map(Statistics self, Particle p)"""
2133 return _IMP_npctransport.Statistics_update_particle_type_zr_distribution_map(self, p)
2135 def update_particle_type_xyz_distribution_map(self, p):
2136 r"""update_particle_type_xyz_distribution_map(Statistics self, Particle p)"""
2137 return _IMP_npctransport.Statistics_update_particle_type_xyz_distribution_map(self, p)
2139 def update(self, timer, nf_new=1, force_full_output=False):
2140 r"""update(Statistics self, SimpleTimer timer, unsigned int nf_new=1, bool force_full_output=False)"""
2141 return _IMP_npctransport.Statistics_update(self, timer, nf_new, force_full_output)
2143 def reset_statistics_optimizer_states(self):
2144 r"""reset_statistics_optimizer_states(Statistics self)"""
2145 return _IMP_npctransport.Statistics_reset_statistics_optimizer_states(self)
2147 def set_interrupted(self, tf):
2148 r"""set_interrupted(Statistics self, bool tf)"""
2149 return _IMP_npctransport.Statistics_set_interrupted(self, tf)
2151 def get_model(self):
2152 r"""get_model(Statistics self) -> Model"""
2153 return _IMP_npctransport.Statistics_get_model(self)
2156 r"""get_sd(Statistics self) -> SimulationData"""
2157 return _IMP_npctransport.Statistics_get_sd(self)
2159 def get_is_activated(self):
2160 r"""get_is_activated(Statistics self) -> bool"""
2161 return _IMP_npctransport.Statistics_get_is_activated(self)
2163 def get_output_file_name(self):
2164 r"""get_output_file_name(Statistics self) -> std::string"""
2165 return _IMP_npctransport.Statistics_get_output_file_name(self)
2167 def get_version_info(self):
2168 r"""get_version_info(Statistics self) -> VersionInfo"""
2169 return _IMP_npctransport.Statistics_get_version_info(self)
2170 __swig_destroy__ = _IMP_npctransport.delete_Statistics
2173 r"""__str__(Statistics self) -> std::string"""
2174 return _IMP_npctransport.Statistics___str__(self)
2177 r"""__repr__(Statistics self) -> std::string"""
2178 return _IMP_npctransport.Statistics___repr__(self)
2182 return _object_cast_to_Statistics(o)
2186 _IMP_npctransport.Statistics_swigregister(Statistics)
2188 def create_boost_timer():
2189 r"""create_boost_timer() -> SimpleTimer"""
2190 return _IMP_npctransport.create_boost_timer()
2191 IMPNPCTRANSPORT_VERSION = _IMP_npctransport.IMPNPCTRANSPORT_VERSION
2194 r"""Proxy of C++ IMP::npctransport::SimulationData class."""
2196 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2198 def get_output_npctransport_version(self):
2199 r"""get_output_npctransport_version(SimulationData self) -> double"""
2200 return _IMP_npctransport.SimulationData_get_output_npctransport_version(self)
2202 def get_range(self):
2203 r"""get_range(SimulationData self) -> double"""
2204 return _IMP_npctransport.SimulationData_get_range(self)
2206 def get_output_statistics_interval_frames(self):
2207 r"""get_output_statistics_interval_frames(SimulationData self) -> int"""
2208 return _IMP_npctransport.SimulationData_get_output_statistics_interval_frames(self)
2210 def get_full_output_statistics_interval_factor(self):
2211 r"""get_full_output_statistics_interval_factor(SimulationData self) -> int"""
2212 return _IMP_npctransport.SimulationData_get_full_output_statistics_interval_factor(self)
2214 def get_is_multiple_hdf5s(self):
2215 r"""get_is_multiple_hdf5s(SimulationData self) -> bool"""
2216 return _IMP_npctransport.SimulationData_get_is_multiple_hdf5s(self)
2218 def get_is_exclude_floaters_from_slab_initially(self):
2219 r"""get_is_exclude_floaters_from_slab_initially(SimulationData self) -> bool"""
2220 return _IMP_npctransport.SimulationData_get_is_exclude_floaters_from_slab_initially(self)
2222 def get_are_floaters_on_one_slab_side(self):
2223 r"""get_are_floaters_on_one_slab_side(SimulationData self) -> bool"""
2224 return _IMP_npctransport.SimulationData_get_are_floaters_on_one_slab_side(self)
2226 def get_is_xyz_hist_stats(self):
2227 r"""get_is_xyz_hist_stats(SimulationData self) -> bool"""
2228 return _IMP_npctransport.SimulationData_get_is_xyz_hist_stats(self)
2230 def get_xyz_stats_crop_factor(self):
2231 r"""get_xyz_stats_crop_factor(SimulationData self) -> double"""
2232 return _IMP_npctransport.SimulationData_get_xyz_stats_crop_factor(self)
2234 def get_xyz_stats_voxel_size_A(self):
2235 r"""get_xyz_stats_voxel_size_A(SimulationData self) -> double"""
2236 return _IMP_npctransport.SimulationData_get_xyz_stats_voxel_size_A(self)
2238 def get_xyz_stats_max_box_size_A(self):
2239 r"""get_xyz_stats_max_box_size_A(SimulationData self) -> double"""
2240 return _IMP_npctransport.SimulationData_get_xyz_stats_max_box_size_A(self)
2242 def get_angular_d_factor(self):
2243 r"""get_angular_d_factor(SimulationData self) -> double"""
2244 return _IMP_npctransport.SimulationData_get_angular_d_factor(self)
2246 def __init__(self, *args):
2247 r"""__init__(SimulationData self, std::string prev_output_file, bool quick, std::string rmf_file_name=std::string(), std::string new_output_file="") -> SimulationData"""
2248 _IMP_npctransport.SimulationData_swiginit(self, _IMP_npctransport.new_SimulationData(*args))
2250 def get_model(self):
2251 r"""get_model(SimulationData self) -> Model"""
2252 return _IMP_npctransport.SimulationData_get_model(self)
2254 def get_scoring(self):
2255 r"""get_scoring(SimulationData self) -> Scoring"""
2256 return _IMP_npctransport.SimulationData_get_scoring(self)
2258 def get_statistics(self):
2259 r"""get_statistics(SimulationData self) -> Statistics"""
2260 return _IMP_npctransport.SimulationData_get_statistics(self)
2262 def get_bd(self, recreate=False):
2263 r"""get_bd(SimulationData self, bool recreate=False) -> BrownianDynamics"""
2264 return _IMP_npctransport.SimulationData_get_bd(self, recreate)
2266 def activate_statistics(self):
2267 r"""activate_statistics(SimulationData self)"""
2268 return _IMP_npctransport.SimulationData_activate_statistics(self)
2270 def get_statistics_fraction(self):
2271 r"""get_statistics_fraction(SimulationData self) -> double"""
2272 return _IMP_npctransport.SimulationData_get_statistics_fraction(self)
2274 def get_is_fg_bead(self, *args):
2276 get_is_fg_bead(SimulationData self, ParticleIndex pi) -> bool
2277 get_is_fg_bead(SimulationData self, ParticleType pt) -> bool
2279 return _IMP_npctransport.SimulationData_get_is_fg_bead(self, *args)
2281 def get_is_fg_chain(self, *args):
2283 get_is_fg_chain(SimulationData self, ParticleIndex pi) -> bool
2284 get_is_fg_chain(SimulationData self, ParticleType pt) -> bool
2286 return _IMP_npctransport.SimulationData_get_is_fg_chain(self, *args)
2288 def get_fg_bead_types(self):
2289 r"""get_fg_bead_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2290 return _IMP_npctransport.SimulationData_get_fg_bead_types(self)
2292 def get_fg_chain_types(self):
2293 r"""get_fg_chain_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2294 return _IMP_npctransport.SimulationData_get_fg_chain_types(self)
2296 def get_floater_types(self):
2297 r"""get_floater_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2298 return _IMP_npctransport.SimulationData_get_floater_types(self)
2300 def get_obstacle_types(self):
2301 r"""get_obstacle_types(SimulationData self) -> IMP::npctransport::ParticleTypeSet const &"""
2302 return _IMP_npctransport.SimulationData_get_obstacle_types(self)
2304 def get_fg_chain_roots(self):
2305 r"""get_fg_chain_roots(SimulationData self) -> IMP::atom::Hierarchies"""
2306 return _IMP_npctransport.SimulationData_get_fg_chain_roots(self)
2308 def get_fg_chains(self):
2309 r"""get_fg_chains(SimulationData self) -> IMP::atom::Hierarchies"""
2310 return _IMP_npctransport.SimulationData_get_fg_chains(self)
2312 def get_obstacle_particles(self):
2313 r"""get_obstacle_particles(SimulationData self) -> IMP::ParticlesTemp"""
2314 return _IMP_npctransport.SimulationData_get_obstacle_particles(self)
2316 def get_beads(self):
2317 r"""get_beads(SimulationData self) -> IMP::ParticlesTemp"""
2318 return _IMP_npctransport.SimulationData_get_beads(self)
2320 def get_optimizable_beads(self):
2321 r"""get_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2322 return _IMP_npctransport.SimulationData_get_optimizable_beads(self)
2324 def get_non_optimizable_beads(self):
2325 r"""get_non_optimizable_beads(SimulationData self) -> IMP::ParticlesTemp"""
2326 return _IMP_npctransport.SimulationData_get_non_optimizable_beads(self)
2328 def get_is_backbone_harmonic(self):
2329 r"""get_is_backbone_harmonic(SimulationData self) -> bool"""
2330 return _IMP_npctransport.SimulationData_get_is_backbone_harmonic(self)
2332 def get_backbone_tau_ns(self):
2333 r"""get_backbone_tau_ns(SimulationData self) -> double"""
2334 return _IMP_npctransport.SimulationData_get_backbone_tau_ns(self)
2336 def get_temperature_k(self):
2337 r"""get_temperature_k(SimulationData self) -> double"""
2338 return _IMP_npctransport.SimulationData_get_temperature_k(self)
2340 def get_initial_simulation_time_ns(self):
2341 r"""get_initial_simulation_time_ns(SimulationData self) -> double"""
2342 return _IMP_npctransport.SimulationData_get_initial_simulation_time_ns(self)
2344 def get_site_centers(self, t0):
2345 r"""get_site_centers(SimulationData self, ParticleType t0) -> IMP::algebra::Vector3Ds"""
2346 return _IMP_npctransport.SimulationData_get_site_centers(self, t0)
2348 def get_sites(self, t0):
2349 r"""get_sites(SimulationData self, ParticleType t0) -> IMP::algebra::Sphere3Ds"""
2350 return _IMP_npctransport.SimulationData_get_sites(self, t0)
2352 def set_sites(self, *args):
2354 set_sites(SimulationData self, ParticleType t0, int n, double r, double sr)
2355 set_sites(SimulationData self, ParticleType t0, IMP::algebra::Sphere3Ds const & sites)
2357 return _IMP_npctransport.SimulationData_set_sites(self, *args)
2359 def get_site_display_radius(self, arg2):
2360 r"""get_site_display_radius(SimulationData self, ParticleType arg2) -> double"""
2361 return _IMP_npctransport.SimulationData_get_site_display_radius(self, arg2)
2363 def get_maximum_number_of_minutes(self):
2364 r"""get_maximum_number_of_minutes(SimulationData self) -> double"""
2365 return _IMP_npctransport.SimulationData_get_maximum_number_of_minutes(self)
2367 def remove_particle_type(self, pt):
2368 r"""remove_particle_type(SimulationData self, ParticleType pt)"""
2369 return _IMP_npctransport.SimulationData_remove_particle_type(self, pt)
2371 def remove_fgs_with_prefix(self, s_fg_type):
2372 r"""remove_fgs_with_prefix(SimulationData self, std::string s_fg_type)"""
2373 return _IMP_npctransport.SimulationData_remove_fgs_with_prefix(self, s_fg_type)
2375 def get_bounding_box(self):
2376 r"""get_bounding_box(SimulationData self) -> BoundingBox3D"""
2377 return _IMP_npctransport.SimulationData_get_bounding_box(self)
2379 def get_bounding_sphere(self):
2380 r"""get_bounding_sphere(SimulationData self) -> Sphere3D"""
2381 return _IMP_npctransport.SimulationData_get_bounding_sphere(self)
2383 def get_bounding_box_size(self):
2384 r"""get_bounding_box_size(SimulationData self) -> double"""
2385 return _IMP_npctransport.SimulationData_get_bounding_box_size(self)
2387 def set_bounding_box_size(self, box_size):
2388 r"""set_bounding_box_size(SimulationData self, double box_size)"""
2389 return _IMP_npctransport.SimulationData_set_bounding_box_size(self, box_size)
2391 def get_bounding_sphere_radius(self):
2392 r"""get_bounding_sphere_radius(SimulationData self) -> double"""
2393 return _IMP_npctransport.SimulationData_get_bounding_sphere_radius(self)
2395 def set_bounding_sphere_radius(self, sphere_radius):
2396 r"""set_bounding_sphere_radius(SimulationData self, double sphere_radius)"""
2397 return _IMP_npctransport.SimulationData_set_bounding_sphere_radius(self, sphere_radius)
2399 def get_bounding_volume(self):
2400 r"""get_bounding_volume(SimulationData self) -> double"""
2401 return _IMP_npctransport.SimulationData_get_bounding_volume(self)
2403 def set_bounding_volume(self, volume_A3):
2404 r"""set_bounding_volume(SimulationData self, double volume_A3)"""
2405 return _IMP_npctransport.SimulationData_set_bounding_volume(self, volume_A3)
2407 def get_has_slab(self):
2408 r"""get_has_slab(SimulationData self) -> bool"""
2409 return _IMP_npctransport.SimulationData_get_has_slab(self)
2411 def get_is_slab_with_cylindrical_pore(self):
2412 r"""get_is_slab_with_cylindrical_pore(SimulationData self) -> bool"""
2413 return _IMP_npctransport.SimulationData_get_is_slab_with_cylindrical_pore(self)
2415 def get_is_slab_with_toroidal_pore(self):
2416 r"""get_is_slab_with_toroidal_pore(SimulationData self) -> bool"""
2417 return _IMP_npctransport.SimulationData_get_is_slab_with_toroidal_pore(self)
2419 def get_slab_particle(self):
2420 r"""get_slab_particle(SimulationData self) -> Particle"""
2421 return _IMP_npctransport.SimulationData_get_slab_particle(self)
2423 def get_cylinder(self):
2424 r"""get_cylinder(SimulationData self) -> Cylinder3D"""
2425 return _IMP_npctransport.SimulationData_get_cylinder(self)
2427 def get_has_bounding_box(self):
2428 r"""get_has_bounding_box(SimulationData self) -> bool"""
2429 return _IMP_npctransport.SimulationData_get_has_bounding_box(self)
2431 def get_has_bounding_sphere(self):
2432 r"""get_has_bounding_sphere(SimulationData self) -> bool"""
2433 return _IMP_npctransport.SimulationData_get_has_bounding_sphere(self)
2435 def get_has_bounding_volume(self):
2436 r"""get_has_bounding_volume(SimulationData self) -> bool"""
2437 return _IMP_npctransport.SimulationData_get_has_bounding_volume(self)
2439 def initialize_positions_from_rmf(self, fh, frame_number=-1):
2440 r"""initialize_positions_from_rmf(SimulationData self, FileConstHandle fh, int frame_number=-1)"""
2441 return _IMP_npctransport.SimulationData_initialize_positions_from_rmf(self, fh, frame_number)
2443 def link_rmf_file_handle(self, fh, is_restraints=True):
2444 r"""link_rmf_file_handle(SimulationData self, FileHandle fh, bool is_restraints=True)"""
2445 return _IMP_npctransport.SimulationData_link_rmf_file_handle(self, fh, is_restraints)
2447 def get_rmf_sos_writer(self):
2448 r"""get_rmf_sos_writer(SimulationData self) -> SaveOptimizerState"""
2449 return _IMP_npctransport.SimulationData_get_rmf_sos_writer(self)
2451 def reset_rmf(self):
2452 r"""reset_rmf(SimulationData self)"""
2453 return _IMP_npctransport.SimulationData_reset_rmf(self)
2455 def switch_suspend_rmf(self, suspend):
2456 r"""switch_suspend_rmf(SimulationData self, bool suspend)"""
2457 return _IMP_npctransport.SimulationData_switch_suspend_rmf(self, suspend)
2459 def write_geometry(self, out):
2460 r"""write_geometry(SimulationData self, std::string out)"""
2461 return _IMP_npctransport.SimulationData_write_geometry(self, out)
2463 def dump_geometry(self):
2464 r"""dump_geometry(SimulationData self)"""
2465 return _IMP_npctransport.SimulationData_dump_geometry(self)
2467 def get_root_of_type(self, type):
2468 r"""get_root_of_type(SimulationData self, ParticleType type) -> Hierarchy"""
2469 return _IMP_npctransport.SimulationData_get_root_of_type(self, type)
2472 r"""get_number_of_frames(SimulationData self) -> unsigned int"""
2473 return _IMP_npctransport.SimulationData_get_number_of_frames(self)
2475 def get_number_of_trials(self):
2476 r"""get_number_of_trials(SimulationData self) -> unsigned int"""
2477 return _IMP_npctransport.SimulationData_get_number_of_trials(self)
2480 r"""get_root(SimulationData self) -> Hierarchy"""
2481 return _IMP_npctransport.SimulationData_get_root(self)
2483 def get_slab_thickness(self):
2484 r"""get_slab_thickness(SimulationData self) -> double"""
2485 return _IMP_npctransport.SimulationData_get_slab_thickness(self)
2487 def get_tunnel_radius(self):
2488 r"""get_tunnel_radius(SimulationData self) -> double"""
2489 return _IMP_npctransport.SimulationData_get_tunnel_radius(self)
2491 def get_pore_radius(self):
2492 r"""get_pore_radius(SimulationData self) -> double"""
2493 return _IMP_npctransport.SimulationData_get_pore_radius(self)
2495 def get_tunnel_radius_k(self):
2496 r"""get_tunnel_radius_k(SimulationData self) -> double"""
2497 return _IMP_npctransport.SimulationData_get_tunnel_radius_k(self)
2499 def get_pore_radius_k(self):
2500 r"""get_pore_radius_k(SimulationData self) -> double"""
2501 return _IMP_npctransport.SimulationData_get_pore_radius_k(self)
2503 def get_is_pore_radius_dynamic(self):
2504 r"""get_is_pore_radius_dynamic(SimulationData self) -> bool"""
2505 return _IMP_npctransport.SimulationData_get_is_pore_radius_dynamic(self)
2507 def get_pore_anchored_beads_k(self):
2508 r"""get_pore_anchored_beads_k(SimulationData self) -> double"""
2509 return _IMP_npctransport.SimulationData_get_pore_anchored_beads_k(self)
2511 def get_static_geometry(self):
2512 r"""get_static_geometry(SimulationData self) -> Geometry"""
2513 return _IMP_npctransport.SimulationData_get_static_geometry(self)
2515 def get_rmf_dump_interval_frames(self):
2516 r"""get_rmf_dump_interval_frames(SimulationData self) -> int"""
2517 return _IMP_npctransport.SimulationData_get_rmf_dump_interval_frames(self)
2519 def get_rmf_file_name(self):
2520 r"""get_rmf_file_name(SimulationData self) -> std::string"""
2521 return _IMP_npctransport.SimulationData_get_rmf_file_name(self)
2523 def set_rmf_file(self, new_name, is_save_restraints_to_rmf=True, is_force_restart=False):
2524 r"""set_rmf_file(SimulationData self, std::string const & new_name, bool is_save_restraints_to_rmf=True, bool is_force_restart=False)"""
2525 return _IMP_npctransport.SimulationData_set_rmf_file(self, new_name, is_save_restraints_to_rmf, is_force_restart)
2527 def get_version_info(self):
2528 r"""get_version_info(SimulationData self) -> VersionInfo"""
2529 return _IMP_npctransport.SimulationData_get_version_info(self)
2530 __swig_destroy__ = _IMP_npctransport.delete_SimulationData
2533 r"""__str__(SimulationData self) -> std::string"""
2534 return _IMP_npctransport.SimulationData___str__(self)
2537 r"""__repr__(SimulationData self) -> std::string"""
2538 return _IMP_npctransport.SimulationData___repr__(self)
2542 return _object_cast_to_SimulationData(o)
2546 _IMP_npctransport.SimulationData_swigregister(SimulationData)
2548 def get_simulation_data_key():
2549 r"""get_simulation_data_key() -> IMP::WeakObjectKey"""
2550 return _IMP_npctransport.get_simulation_data_key()
2552 def write_geometry(kaps, kap_sites, chains, chain_sites, rs, out):
2553 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)"""
2554 return _IMP_npctransport.write_geometry(kaps, kap_sites, chains, chain_sites, rs, out)
2556 r"""Proxy of C++ IMP::npctransport::ParticleFactory class."""
2558 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2559 sd_ = property(_IMP_npctransport.ParticleFactory_sd__get, _IMP_npctransport.ParticleFactory_sd__set, doc=
r"""sd_ : IMP::WeakPointer<(IMP::npctransport::SimulationData)>""")
2560 radius_ = property(_IMP_npctransport.ParticleFactory_radius__get, _IMP_npctransport.ParticleFactory_radius__set, doc=
r"""radius_ : double""")
2561 D_factor_ = property(_IMP_npctransport.ParticleFactory_D_factor__get, _IMP_npctransport.ParticleFactory_D_factor__set, doc=
r"""D_factor_ : double""")
2562 angular_D_factor_ = property(_IMP_npctransport.ParticleFactory_angular_D_factor__get, _IMP_npctransport.ParticleFactory_angular_D_factor__set, doc=
r"""angular_D_factor_ : double""")
2563 color_ = property(_IMP_npctransport.ParticleFactory_color__get, _IMP_npctransport.ParticleFactory_color__set, doc=
r"""color_ : IMP::display::Color""")
2564 type_ = property(_IMP_npctransport.ParticleFactory_type__get, _IMP_npctransport.ParticleFactory_type__set, doc=
r"""type_ : IMP::core::ParticleType""")
2566 def __init__(self, *args):
2567 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"""
2568 _IMP_npctransport.ParticleFactory_swiginit(self, _IMP_npctransport.new_ParticleFactory(*args))
2570 def create(self, *args):
2571 r"""create(ParticleFactory self, std::string name="") -> Particle"""
2572 return _IMP_npctransport.ParticleFactory_create(self, *args)
2574 def get_model(self):
2575 r"""get_model(ParticleFactory self) -> Model"""
2576 return _IMP_npctransport.ParticleFactory_get_model(self)
2578 def get_simulation_data(self):
2579 r"""get_simulation_data(ParticleFactory self) -> SimulationData"""
2580 return _IMP_npctransport.ParticleFactory_get_simulation_data(self)
2582 def get_radius(self):
2583 r"""get_radius(ParticleFactory self) -> double"""
2584 return _IMP_npctransport.ParticleFactory_get_radius(self)
2586 def get_version_info(self):
2587 r"""get_version_info(ParticleFactory self) -> VersionInfo"""
2588 return _IMP_npctransport.ParticleFactory_get_version_info(self)
2589 __swig_destroy__ = _IMP_npctransport.delete_ParticleFactory
2592 r"""__str__(ParticleFactory self) -> std::string"""
2593 return _IMP_npctransport.ParticleFactory___str__(self)
2596 r"""__repr__(ParticleFactory self) -> std::string"""
2597 return _IMP_npctransport.ParticleFactory___repr__(self)
2601 return _object_cast_to_ParticleFactory(o)
2605 _IMP_npctransport.ParticleFactory_swigregister(ParticleFactory)
2607 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesLoadLink class."""
2609 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2611 def __init__(self, fh):
2612 r"""__init__(HierarchyWithSitesLoadLink self, FileConstHandle fh) -> HierarchyWithSitesLoadLink"""
2613 _IMP_npctransport.HierarchyWithSitesLoadLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesLoadLink(fh))
2617 r"""get_name() -> char const *"""
2618 return _IMP_npctransport.HierarchyWithSitesLoadLink_get_name()
2621 r"""__str__(HierarchyWithSitesLoadLink self) -> std::string"""
2622 return _IMP_npctransport.HierarchyWithSitesLoadLink___str__(self)
2625 r"""__repr__(HierarchyWithSitesLoadLink self) -> std::string"""
2626 return _IMP_npctransport.HierarchyWithSitesLoadLink___repr__(self)
2630 return _object_cast_to_HierarchyWithSitesLoadLink(o)
2632 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesLoadLink
2635 _IMP_npctransport.HierarchyWithSitesLoadLink_swigregister(HierarchyWithSitesLoadLink)
2637 r"""Proxy of C++ IMP::npctransport::HierarchyWithSitesSaveLink class."""
2639 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2641 def __init__(self, fh):
2642 r"""__init__(HierarchyWithSitesSaveLink self, FileHandle fh) -> HierarchyWithSitesSaveLink"""
2643 _IMP_npctransport.HierarchyWithSitesSaveLink_swiginit(self, _IMP_npctransport.new_HierarchyWithSitesSaveLink(fh))
2647 r"""get_name() -> char const *"""
2648 return _IMP_npctransport.HierarchyWithSitesSaveLink_get_name()
2651 r"""__str__(HierarchyWithSitesSaveLink self) -> std::string"""
2652 return _IMP_npctransport.HierarchyWithSitesSaveLink___str__(self)
2655 r"""__repr__(HierarchyWithSitesSaveLink self) -> std::string"""
2656 return _IMP_npctransport.HierarchyWithSitesSaveLink___repr__(self)
2660 return _object_cast_to_HierarchyWithSitesSaveLink(o)
2662 __swig_destroy__ = _IMP_npctransport.delete_HierarchyWithSitesSaveLink
2665 _IMP_npctransport.HierarchyWithSitesSaveLink_swigregister(HierarchyWithSitesSaveLink)
2669 add_test_sites(FileHandle fh, ParticleType t, double display_radius, IMP::algebra::Vector3Ds sites)
2670 add_test_sites(FileHandle fh, ParticleType t, IMP::algebra::Sphere3Ds sites)
2672 return _IMP_npctransport.add_test_sites(*args)
2676 add_hierarchies_with_sites(FileHandle fh, IMP::atom::Hierarchies const & hs)
2677 add_hierarchies_with_sites(NodeHandle fh, IMP::atom::Hierarchies const & hs)
2679 return _IMP_npctransport.add_hierarchies_with_sites(*args)
2682 r"""add_hierarchy_with_sites(FileHandle fh, Hierarchy hs)"""
2683 return _IMP_npctransport.add_hierarchy_with_sites(fh, hs)
2686 r"""create_hierarchies_with_sites(FileConstHandle fh, Model m) -> IMP::atom::Hierarchies"""
2687 return _IMP_npctransport.create_hierarchies_with_sites(fh, m)
2690 r"""link_hierarchies_with_sites(FileConstHandle fh, IMP::atom::Hierarchies const & hs)"""
2691 return _IMP_npctransport.link_hierarchies_with_sites(fh, hs)
2693 r"""Proxy of C++ IMP::npctransport::Transporting class."""
2695 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2697 def __init__(self, *args):
2699 __init__(Transporting self) -> Transporting
2700 __init__(Transporting self, Model m, ParticleIndex id) -> Transporting
2701 __init__(Transporting self, _ParticleAdaptor d) -> Transporting
2703 _IMP_npctransport.Transporting_swiginit(self, _IMP_npctransport.new_Transporting(*args))
2705 def show(self, *args):
2706 r"""show(Transporting self, _ostream out=std::cout)"""
2707 return _IMP_npctransport.Transporting_show(self, *args)
2710 def setup_particle(*args):
2712 setup_particle(Model m, ParticleIndex pi, bool is_last_entry_from_top=False) -> Transporting
2713 setup_particle(_ParticleAdaptor pa, bool is_last_entry_from_top=False) -> Transporting
2715 return _IMP_npctransport.Transporting_setup_particle(*args)
2718 def get_is_setup(*args):
2720 get_is_setup(_ParticleAdaptor p) -> bool
2721 get_is_setup(Model m, ParticleIndex pi) -> bool
2723 return _IMP_npctransport.Transporting_get_is_setup(*args)
2725 def set_is_last_entry_from_top(self, is_last_entry_from_top):
2726 r"""set_is_last_entry_from_top(Transporting self, bool is_last_entry_from_top)"""
2727 return _IMP_npctransport.Transporting_set_is_last_entry_from_top(self, is_last_entry_from_top)
2729 def get_is_last_entry_from_top(self):
2730 r"""get_is_last_entry_from_top(Transporting self) -> bool"""
2731 return _IMP_npctransport.Transporting_get_is_last_entry_from_top(self)
2734 def get_is_last_entry_from_top_key():
2735 r"""get_is_last_entry_from_top_key() -> IntKey"""
2736 return _IMP_npctransport.Transporting_get_is_last_entry_from_top_key()
2738 def set_last_tracked_z(self, last_tracked_z):
2739 r"""set_last_tracked_z(Transporting self, double last_tracked_z)"""
2740 return _IMP_npctransport.Transporting_set_last_tracked_z(self, last_tracked_z)
2742 def get_last_tracked_z(self):
2743 r"""get_last_tracked_z(Transporting self) -> double"""
2744 return _IMP_npctransport.Transporting_get_last_tracked_z(self)
2747 def get_last_tracked_z_key():
2748 r"""get_last_tracked_z_key() -> FloatKey"""
2749 return _IMP_npctransport.Transporting_get_last_tracked_z_key()
2751 def set_n_entries_bottom(self, n):
2752 r"""set_n_entries_bottom(Transporting self, int n)"""
2753 return _IMP_npctransport.Transporting_set_n_entries_bottom(self, n)
2755 def get_n_entries_bottom(self):
2756 r"""get_n_entries_bottom(Transporting self) -> int"""
2757 return _IMP_npctransport.Transporting_get_n_entries_bottom(self)
2760 def get_n_entries_bottom_key():
2761 r"""get_n_entries_bottom_key() -> IntKey"""
2762 return _IMP_npctransport.Transporting_get_n_entries_bottom_key()
2764 def set_n_entries_top(self, n):
2765 r"""set_n_entries_top(Transporting self, int n)"""
2766 return _IMP_npctransport.Transporting_set_n_entries_top(self, n)
2768 def get_n_entries_top(self):
2769 r"""get_n_entries_top(Transporting self) -> int"""
2770 return _IMP_npctransport.Transporting_get_n_entries_top(self)
2773 def get_n_entries_top_key():
2774 r"""get_n_entries_top_key() -> IntKey"""
2775 return _IMP_npctransport.Transporting_get_n_entries_top_key()
2777 def add_attribute(self, *args):
2779 add_attribute(Transporting self, FloatKey k, IMP::Float v, bool opt)
2780 add_attribute(Transporting self, FloatKey a0, IMP::Float a1)
2781 add_attribute(Transporting self, IntKey a0, IMP::Int a1)
2782 add_attribute(Transporting self, FloatsKey a0, IMP::Floats a1)
2783 add_attribute(Transporting self, IntsKey a0, IMP::Ints a1)
2784 add_attribute(Transporting self, StringKey a0, IMP::String a1)
2785 add_attribute(Transporting self, ParticleIndexKey a0, Particle a1)
2786 add_attribute(Transporting self, ObjectKey a0, Object a1)
2787 add_attribute(Transporting self, SparseFloatKey a0, IMP::Float a1)
2788 add_attribute(Transporting self, SparseIntKey a0, IMP::Int a1)
2789 add_attribute(Transporting self, SparseStringKey a0, IMP::String a1)
2790 add_attribute(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2792 return _IMP_npctransport.Transporting_add_attribute(self, *args)
2794 def get_value(self, *args):
2796 get_value(Transporting self, FloatKey a0) -> IMP::Float
2797 get_value(Transporting self, IntKey a0) -> IMP::Int
2798 get_value(Transporting self, FloatsKey a0) -> IMP::Floats
2799 get_value(Transporting self, IntsKey a0) -> IMP::Ints
2800 get_value(Transporting self, StringKey a0) -> IMP::String
2801 get_value(Transporting self, ParticleIndexKey a0) -> Particle
2802 get_value(Transporting self, ObjectKey a0) -> Object
2803 get_value(Transporting self, SparseFloatKey a0) -> IMP::Float
2804 get_value(Transporting self, SparseIntKey a0) -> IMP::Int
2805 get_value(Transporting self, SparseStringKey a0) -> IMP::String
2806 get_value(Transporting self, SparseParticleIndexKey a0) -> ParticleIndex
2808 return _IMP_npctransport.Transporting_get_value(self, *args)
2810 def set_value(self, *args):
2812 set_value(Transporting self, FloatKey a0, IMP::Float a1)
2813 set_value(Transporting self, IntKey a0, IMP::Int a1)
2814 set_value(Transporting self, FloatsKey a0, IMP::Floats a1)
2815 set_value(Transporting self, IntsKey a0, IMP::Ints a1)
2816 set_value(Transporting self, StringKey a0, IMP::String a1)
2817 set_value(Transporting self, ParticleIndexKey a0, Particle a1)
2818 set_value(Transporting self, ObjectKey a0, Object a1)
2819 set_value(Transporting self, SparseFloatKey a0, IMP::Float a1)
2820 set_value(Transporting self, SparseIntKey a0, IMP::Int a1)
2821 set_value(Transporting self, SparseStringKey a0, IMP::String a1)
2822 set_value(Transporting self, SparseParticleIndexKey a0, ParticleIndex a1)
2824 return _IMP_npctransport.Transporting_set_value(self, *args)
2826 def remove_attribute(self, *args):
2828 remove_attribute(Transporting self, FloatKey a0)
2829 remove_attribute(Transporting self, IntKey a0)
2830 remove_attribute(Transporting self, FloatsKey a0)
2831 remove_attribute(Transporting self, IntsKey a0)
2832 remove_attribute(Transporting self, StringKey a0)
2833 remove_attribute(Transporting self, ParticleIndexKey a0)
2834 remove_attribute(Transporting self, ObjectKey a0)
2835 remove_attribute(Transporting self, SparseFloatKey a0)
2836 remove_attribute(Transporting self, SparseIntKey a0)
2837 remove_attribute(Transporting self, SparseStringKey a0)
2838 remove_attribute(Transporting self, SparseParticleIndexKey a0)
2840 return _IMP_npctransport.Transporting_remove_attribute(self, *args)
2842 def has_attribute(self, *args):
2844 has_attribute(Transporting self, FloatKey a0) -> bool
2845 has_attribute(Transporting self, IntKey a0) -> bool
2846 has_attribute(Transporting self, FloatsKey a0) -> bool
2847 has_attribute(Transporting self, IntsKey a0) -> bool
2848 has_attribute(Transporting self, StringKey a0) -> bool
2849 has_attribute(Transporting self, ParticleIndexKey a0) -> bool
2850 has_attribute(Transporting self, ObjectKey a0) -> bool
2851 has_attribute(Transporting self, SparseFloatKey a0) -> bool
2852 has_attribute(Transporting self, SparseIntKey a0) -> bool
2853 has_attribute(Transporting self, SparseStringKey a0) -> bool
2854 has_attribute(Transporting self, SparseParticleIndexKey a0) -> bool
2856 return _IMP_npctransport.Transporting_has_attribute(self, *args)
2858 def get_derivative(self, a0):
2859 r"""get_derivative(Transporting self, FloatKey a0) -> double"""
2860 return _IMP_npctransport.Transporting_get_derivative(self, a0)
2863 r"""get_name(Transporting self) -> std::string"""
2864 return _IMP_npctransport.Transporting_get_name(self)
2866 def clear_caches(self):
2867 r"""clear_caches(Transporting self)"""
2868 return _IMP_npctransport.Transporting_clear_caches(self)
2870 def set_name(self, a0):
2871 r"""set_name(Transporting self, std::string a0)"""
2872 return _IMP_npctransport.Transporting_set_name(self, a0)
2875 r"""set_check_level(Transporting self, IMP::CheckLevel a0)"""
2876 return _IMP_npctransport.Transporting_set_check_level(self, a0)
2878 def add_to_derivative(self, a0, a1, a2):
2879 r"""add_to_derivative(Transporting self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2880 return _IMP_npctransport.Transporting_add_to_derivative(self, a0, a1, a2)
2882 def set_is_optimized(self, a0, a1):
2883 r"""set_is_optimized(Transporting self, FloatKey a0, bool a1)"""
2884 return _IMP_npctransport.Transporting_set_is_optimized(self, a0, a1)
2886 def get_is_optimized(self, a0):
2887 r"""get_is_optimized(Transporting self, FloatKey a0) -> bool"""
2888 return _IMP_npctransport.Transporting_get_is_optimized(self, a0)
2891 r"""get_check_level(Transporting self) -> IMP::CheckLevel"""
2892 return _IMP_npctransport.Transporting_get_check_level(self)
2894 def __eq__(self, *args):
2896 __eq__(Transporting self, Transporting o) -> bool
2897 __eq__(Transporting self, Particle d) -> bool
2899 return _IMP_npctransport.Transporting___eq__(self, *args)
2901 def __ne__(self, *args):
2903 __ne__(Transporting self, Transporting o) -> bool
2904 __ne__(Transporting self, Particle d) -> bool
2906 return _IMP_npctransport.Transporting___ne__(self, *args)
2908 def __le__(self, *args):
2910 __le__(Transporting self, Transporting o) -> bool
2911 __le__(Transporting self, Particle d) -> bool
2913 return _IMP_npctransport.Transporting___le__(self, *args)
2915 def __lt__(self, *args):
2917 __lt__(Transporting self, Transporting o) -> bool
2918 __lt__(Transporting self, Particle d) -> bool
2920 return _IMP_npctransport.Transporting___lt__(self, *args)
2922 def __ge__(self, *args):
2924 __ge__(Transporting self, Transporting o) -> bool
2925 __ge__(Transporting self, Particle d) -> bool
2927 return _IMP_npctransport.Transporting___ge__(self, *args)
2929 def __gt__(self, *args):
2931 __gt__(Transporting self, Transporting o) -> bool
2932 __gt__(Transporting self, Particle d) -> bool
2934 return _IMP_npctransport.Transporting___gt__(self, *args)
2937 r"""__hash__(Transporting self) -> std::size_t"""
2938 return _IMP_npctransport.Transporting___hash__(self)
2941 r"""__str__(Transporting self) -> std::string"""
2942 return _IMP_npctransport.Transporting___str__(self)
2945 r"""__repr__(Transporting self) -> std::string"""
2946 return _IMP_npctransport.Transporting___repr__(self)
2948 def _get_as_binary(self):
2949 r"""_get_as_binary(Transporting self) -> PyObject *"""
2950 return _IMP_npctransport.Transporting__get_as_binary(self)
2952 def _set_from_binary(self, p):
2953 r"""_set_from_binary(Transporting self, PyObject * p)"""
2954 return _IMP_npctransport.Transporting__set_from_binary(self, p)
2956 def __getstate__(self):
2957 p = self._get_as_binary()
2958 if len(self.__dict__) > 1:
2959 d = self.__dict__.copy()
2964 def __setstate__(self, p):
2965 if not hasattr(self,
'this'):
2967 if isinstance(p, tuple):
2969 self.__dict__.update(d)
2970 return self._set_from_binary(p)
2972 __swig_destroy__ = _IMP_npctransport.delete_Transporting
2975 _IMP_npctransport.Transporting_swigregister(Transporting)
2977 def show_ranges(fname):
2978 r"""show_ranges(std::string fname)"""
2979 return _IMP_npctransport.show_ranges(fname)
2981 def assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed):
2982 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"""
2983 return _IMP_npctransport.assign_ranges(input_config_fname, output_assignment_fname, work_unit, show_steps, random_seed)
2985 def get_number_of_work_units(configuration_file):
2986 r"""get_number_of_work_units(std::string configuration_file) -> int"""
2987 return _IMP_npctransport.get_number_of_work_units(configuration_file)
2989 r"""Proxy of C++ IMP::npctransport::SlabWithPore class."""
2991 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2993 def __init__(self, *args):
2995 __init__(SlabWithPore self) -> SlabWithPore
2996 __init__(SlabWithPore self, Model m, ParticleIndex id) -> SlabWithPore
2997 __init__(SlabWithPore self, _ParticleAdaptor d) -> SlabWithPore
2999 _IMP_npctransport.SlabWithPore_swiginit(self, _IMP_npctransport.new_SlabWithPore(*args))
3001 def show(self, *args):
3002 r"""show(SlabWithPore self, _ostream out=std::cout)"""
3003 return _IMP_npctransport.SlabWithPore_show(self, *args)
3006 def setup_particle(*args):
3008 setup_particle(Model m, ParticleIndex pi, double thickness, double pore_radius) -> SlabWithPore
3009 setup_particle(_ParticleAdaptor pa, double thickness, double pore_radius) -> SlabWithPore
3011 return _IMP_npctransport.SlabWithPore_setup_particle(*args)
3014 def get_is_setup(*args):
3016 get_is_setup(_ParticleAdaptor p) -> bool
3017 get_is_setup(Model m, ParticleIndex pi) -> bool
3019 return _IMP_npctransport.SlabWithPore_get_is_setup(*args)
3021 def set_thickness(self, thickness):
3022 r"""set_thickness(SlabWithPore self, double thickness)"""
3023 return _IMP_npctransport.SlabWithPore_set_thickness(self, thickness)
3025 def get_thickness(self):
3026 r"""get_thickness(SlabWithPore self) -> IMP::Float"""
3027 return _IMP_npctransport.SlabWithPore_get_thickness(self)
3029 def get_pore_radius(self):
3030 r"""get_pore_radius(SlabWithPore self) -> IMP::Float"""
3031 return _IMP_npctransport.SlabWithPore_get_pore_radius(self)
3033 def set_pore_radius(self, r):
3034 r"""set_pore_radius(SlabWithPore self, double r)"""
3035 return _IMP_npctransport.SlabWithPore_set_pore_radius(self, r)
3037 def add_to_pore_radius_derivative(self, v, d):
3038 r"""add_to_pore_radius_derivative(SlabWithPore self, double v, DerivativeAccumulator d)"""
3039 return _IMP_npctransport.SlabWithPore_add_to_pore_radius_derivative(self, v, d)
3041 def get_pore_radius_is_optimized(self):
3042 r"""get_pore_radius_is_optimized(SlabWithPore self) -> bool"""
3043 return _IMP_npctransport.SlabWithPore_get_pore_radius_is_optimized(self)
3045 def set_pore_radius_is_optimized(self, tf):
3046 r"""set_pore_radius_is_optimized(SlabWithPore self, bool tf)"""
3047 return _IMP_npctransport.SlabWithPore_set_pore_radius_is_optimized(self, tf)
3050 def get_thickness_key():
3051 r"""get_thickness_key() -> FloatKey"""
3052 return _IMP_npctransport.SlabWithPore_get_thickness_key()
3055 def get_pore_radius_key():
3056 r"""get_pore_radius_key() -> FloatKey"""
3057 return _IMP_npctransport.SlabWithPore_get_pore_radius_key()
3059 def add_attribute(self, *args):
3061 add_attribute(SlabWithPore self, FloatKey k, IMP::Float v, bool opt)
3062 add_attribute(SlabWithPore self, FloatKey a0, IMP::Float a1)
3063 add_attribute(SlabWithPore self, IntKey a0, IMP::Int a1)
3064 add_attribute(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3065 add_attribute(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3066 add_attribute(SlabWithPore self, StringKey a0, IMP::String a1)
3067 add_attribute(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3068 add_attribute(SlabWithPore self, ObjectKey a0, Object a1)
3069 add_attribute(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3070 add_attribute(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3071 add_attribute(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3072 add_attribute(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3074 return _IMP_npctransport.SlabWithPore_add_attribute(self, *args)
3076 def get_value(self, *args):
3078 get_value(SlabWithPore self, FloatKey a0) -> IMP::Float
3079 get_value(SlabWithPore self, IntKey a0) -> IMP::Int
3080 get_value(SlabWithPore self, FloatsKey a0) -> IMP::Floats
3081 get_value(SlabWithPore self, IntsKey a0) -> IMP::Ints
3082 get_value(SlabWithPore self, StringKey a0) -> IMP::String
3083 get_value(SlabWithPore self, ParticleIndexKey a0) -> Particle
3084 get_value(SlabWithPore self, ObjectKey a0) -> Object
3085 get_value(SlabWithPore self, SparseFloatKey a0) -> IMP::Float
3086 get_value(SlabWithPore self, SparseIntKey a0) -> IMP::Int
3087 get_value(SlabWithPore self, SparseStringKey a0) -> IMP::String
3088 get_value(SlabWithPore self, SparseParticleIndexKey a0) -> ParticleIndex
3090 return _IMP_npctransport.SlabWithPore_get_value(self, *args)
3092 def set_value(self, *args):
3094 set_value(SlabWithPore self, FloatKey a0, IMP::Float a1)
3095 set_value(SlabWithPore self, IntKey a0, IMP::Int a1)
3096 set_value(SlabWithPore self, FloatsKey a0, IMP::Floats a1)
3097 set_value(SlabWithPore self, IntsKey a0, IMP::Ints a1)
3098 set_value(SlabWithPore self, StringKey a0, IMP::String a1)
3099 set_value(SlabWithPore self, ParticleIndexKey a0, Particle a1)
3100 set_value(SlabWithPore self, ObjectKey a0, Object a1)
3101 set_value(SlabWithPore self, SparseFloatKey a0, IMP::Float a1)
3102 set_value(SlabWithPore self, SparseIntKey a0, IMP::Int a1)
3103 set_value(SlabWithPore self, SparseStringKey a0, IMP::String a1)
3104 set_value(SlabWithPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3106 return _IMP_npctransport.SlabWithPore_set_value(self, *args)
3108 def remove_attribute(self, *args):
3110 remove_attribute(SlabWithPore self, FloatKey a0)
3111 remove_attribute(SlabWithPore self, IntKey a0)
3112 remove_attribute(SlabWithPore self, FloatsKey a0)
3113 remove_attribute(SlabWithPore self, IntsKey a0)
3114 remove_attribute(SlabWithPore self, StringKey a0)
3115 remove_attribute(SlabWithPore self, ParticleIndexKey a0)
3116 remove_attribute(SlabWithPore self, ObjectKey a0)
3117 remove_attribute(SlabWithPore self, SparseFloatKey a0)
3118 remove_attribute(SlabWithPore self, SparseIntKey a0)
3119 remove_attribute(SlabWithPore self, SparseStringKey a0)
3120 remove_attribute(SlabWithPore self, SparseParticleIndexKey a0)
3122 return _IMP_npctransport.SlabWithPore_remove_attribute(self, *args)
3124 def has_attribute(self, *args):
3126 has_attribute(SlabWithPore self, FloatKey a0) -> bool
3127 has_attribute(SlabWithPore self, IntKey a0) -> bool
3128 has_attribute(SlabWithPore self, FloatsKey a0) -> bool
3129 has_attribute(SlabWithPore self, IntsKey a0) -> bool
3130 has_attribute(SlabWithPore self, StringKey a0) -> bool
3131 has_attribute(SlabWithPore self, ParticleIndexKey a0) -> bool
3132 has_attribute(SlabWithPore self, ObjectKey a0) -> bool
3133 has_attribute(SlabWithPore self, SparseFloatKey a0) -> bool
3134 has_attribute(SlabWithPore self, SparseIntKey a0) -> bool
3135 has_attribute(SlabWithPore self, SparseStringKey a0) -> bool
3136 has_attribute(SlabWithPore self, SparseParticleIndexKey a0) -> bool
3138 return _IMP_npctransport.SlabWithPore_has_attribute(self, *args)
3140 def get_derivative(self, a0):
3141 r"""get_derivative(SlabWithPore self, FloatKey a0) -> double"""
3142 return _IMP_npctransport.SlabWithPore_get_derivative(self, a0)
3145 r"""get_name(SlabWithPore self) -> std::string"""
3146 return _IMP_npctransport.SlabWithPore_get_name(self)
3148 def clear_caches(self):
3149 r"""clear_caches(SlabWithPore self)"""
3150 return _IMP_npctransport.SlabWithPore_clear_caches(self)
3152 def set_name(self, a0):
3153 r"""set_name(SlabWithPore self, std::string a0)"""
3154 return _IMP_npctransport.SlabWithPore_set_name(self, a0)
3157 r"""set_check_level(SlabWithPore self, IMP::CheckLevel a0)"""
3158 return _IMP_npctransport.SlabWithPore_set_check_level(self, a0)
3160 def add_to_derivative(self, a0, a1, a2):
3161 r"""add_to_derivative(SlabWithPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3162 return _IMP_npctransport.SlabWithPore_add_to_derivative(self, a0, a1, a2)
3164 def set_is_optimized(self, a0, a1):
3165 r"""set_is_optimized(SlabWithPore self, FloatKey a0, bool a1)"""
3166 return _IMP_npctransport.SlabWithPore_set_is_optimized(self, a0, a1)
3168 def get_is_optimized(self, a0):
3169 r"""get_is_optimized(SlabWithPore self, FloatKey a0) -> bool"""
3170 return _IMP_npctransport.SlabWithPore_get_is_optimized(self, a0)
3173 r"""get_check_level(SlabWithPore self) -> IMP::CheckLevel"""
3174 return _IMP_npctransport.SlabWithPore_get_check_level(self)
3176 def __eq__(self, *args):
3178 __eq__(SlabWithPore self, SlabWithPore o) -> bool
3179 __eq__(SlabWithPore self, Particle d) -> bool
3181 return _IMP_npctransport.SlabWithPore___eq__(self, *args)
3183 def __ne__(self, *args):
3185 __ne__(SlabWithPore self, SlabWithPore o) -> bool
3186 __ne__(SlabWithPore self, Particle d) -> bool
3188 return _IMP_npctransport.SlabWithPore___ne__(self, *args)
3190 def __le__(self, *args):
3192 __le__(SlabWithPore self, SlabWithPore o) -> bool
3193 __le__(SlabWithPore self, Particle d) -> bool
3195 return _IMP_npctransport.SlabWithPore___le__(self, *args)
3197 def __lt__(self, *args):
3199 __lt__(SlabWithPore self, SlabWithPore o) -> bool
3200 __lt__(SlabWithPore self, Particle d) -> bool
3202 return _IMP_npctransport.SlabWithPore___lt__(self, *args)
3204 def __ge__(self, *args):
3206 __ge__(SlabWithPore self, SlabWithPore o) -> bool
3207 __ge__(SlabWithPore self, Particle d) -> bool
3209 return _IMP_npctransport.SlabWithPore___ge__(self, *args)
3211 def __gt__(self, *args):
3213 __gt__(SlabWithPore self, SlabWithPore o) -> bool
3214 __gt__(SlabWithPore self, Particle d) -> bool
3216 return _IMP_npctransport.SlabWithPore___gt__(self, *args)
3219 r"""__hash__(SlabWithPore self) -> std::size_t"""
3220 return _IMP_npctransport.SlabWithPore___hash__(self)
3223 r"""__str__(SlabWithPore self) -> std::string"""
3224 return _IMP_npctransport.SlabWithPore___str__(self)
3227 r"""__repr__(SlabWithPore self) -> std::string"""
3228 return _IMP_npctransport.SlabWithPore___repr__(self)
3230 def _get_as_binary(self):
3231 r"""_get_as_binary(SlabWithPore self) -> PyObject *"""
3232 return _IMP_npctransport.SlabWithPore__get_as_binary(self)
3234 def _set_from_binary(self, p):
3235 r"""_set_from_binary(SlabWithPore self, PyObject * p)"""
3236 return _IMP_npctransport.SlabWithPore__set_from_binary(self, p)
3238 def __getstate__(self):
3239 p = self._get_as_binary()
3240 if len(self.__dict__) > 1:
3241 d = self.__dict__.copy()
3246 def __setstate__(self, p):
3247 if not hasattr(self,
'this'):
3249 if isinstance(p, tuple):
3251 self.__dict__.update(d)
3252 return self._set_from_binary(p)
3254 __swig_destroy__ = _IMP_npctransport.delete_SlabWithPore
3257 _IMP_npctransport.SlabWithPore_swigregister(SlabWithPore)
3258 class SlabWithCylindricalPore(SlabWithPore):
3259 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPore class."""
3261 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3263 def __init__(self, *args):
3265 __init__(SlabWithCylindricalPore self) -> SlabWithCylindricalPore
3266 __init__(SlabWithCylindricalPore self, Model m, ParticleIndex id) -> SlabWithCylindricalPore
3267 __init__(SlabWithCylindricalPore self, _ParticleAdaptor d) -> SlabWithCylindricalPore
3269 _IMP_npctransport.SlabWithCylindricalPore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPore(*args))
3271 def show(self, *args):
3272 r"""show(SlabWithCylindricalPore self, _ostream out=std::cout)"""
3273 return _IMP_npctransport.SlabWithCylindricalPore_show(self, *args)
3276 def setup_particle(*args):
3278 setup_particle(Model m, ParticleIndex pi, double thickness, double radius) -> SlabWithCylindricalPore
3279 setup_particle(_ParticleAdaptor pa, double thickness, double radius) -> SlabWithCylindricalPore
3281 return _IMP_npctransport.SlabWithCylindricalPore_setup_particle(*args)
3284 def get_is_setup(*args):
3286 get_is_setup(_ParticleAdaptor p) -> bool
3287 get_is_setup(Model m, ParticleIndex pi) -> bool
3289 return _IMP_npctransport.SlabWithCylindricalPore_get_is_setup(*args)
3292 def get_cylindrical_pore_key():
3293 r"""get_cylindrical_pore_key() -> IntKey"""
3294 return _IMP_npctransport.SlabWithCylindricalPore_get_cylindrical_pore_key()
3296 def add_attribute(self, *args):
3298 add_attribute(SlabWithCylindricalPore self, FloatKey k, IMP::Float v, bool opt)
3299 add_attribute(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3300 add_attribute(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3301 add_attribute(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3302 add_attribute(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3303 add_attribute(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3304 add_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3305 add_attribute(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3306 add_attribute(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3307 add_attribute(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3308 add_attribute(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3309 add_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3311 return _IMP_npctransport.SlabWithCylindricalPore_add_attribute(self, *args)
3313 def get_value(self, *args):
3315 get_value(SlabWithCylindricalPore self, FloatKey a0) -> IMP::Float
3316 get_value(SlabWithCylindricalPore self, IntKey a0) -> IMP::Int
3317 get_value(SlabWithCylindricalPore self, FloatsKey a0) -> IMP::Floats
3318 get_value(SlabWithCylindricalPore self, IntsKey a0) -> IMP::Ints
3319 get_value(SlabWithCylindricalPore self, StringKey a0) -> IMP::String
3320 get_value(SlabWithCylindricalPore self, ParticleIndexKey a0) -> Particle
3321 get_value(SlabWithCylindricalPore self, ObjectKey a0) -> Object
3322 get_value(SlabWithCylindricalPore self, SparseFloatKey a0) -> IMP::Float
3323 get_value(SlabWithCylindricalPore self, SparseIntKey a0) -> IMP::Int
3324 get_value(SlabWithCylindricalPore self, SparseStringKey a0) -> IMP::String
3325 get_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3327 return _IMP_npctransport.SlabWithCylindricalPore_get_value(self, *args)
3329 def set_value(self, *args):
3331 set_value(SlabWithCylindricalPore self, FloatKey a0, IMP::Float a1)
3332 set_value(SlabWithCylindricalPore self, IntKey a0, IMP::Int a1)
3333 set_value(SlabWithCylindricalPore self, FloatsKey a0, IMP::Floats a1)
3334 set_value(SlabWithCylindricalPore self, IntsKey a0, IMP::Ints a1)
3335 set_value(SlabWithCylindricalPore self, StringKey a0, IMP::String a1)
3336 set_value(SlabWithCylindricalPore self, ParticleIndexKey a0, Particle a1)
3337 set_value(SlabWithCylindricalPore self, ObjectKey a0, Object a1)
3338 set_value(SlabWithCylindricalPore self, SparseFloatKey a0, IMP::Float a1)
3339 set_value(SlabWithCylindricalPore self, SparseIntKey a0, IMP::Int a1)
3340 set_value(SlabWithCylindricalPore self, SparseStringKey a0, IMP::String a1)
3341 set_value(SlabWithCylindricalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3343 return _IMP_npctransport.SlabWithCylindricalPore_set_value(self, *args)
3345 def remove_attribute(self, *args):
3347 remove_attribute(SlabWithCylindricalPore self, FloatKey a0)
3348 remove_attribute(SlabWithCylindricalPore self, IntKey a0)
3349 remove_attribute(SlabWithCylindricalPore self, FloatsKey a0)
3350 remove_attribute(SlabWithCylindricalPore self, IntsKey a0)
3351 remove_attribute(SlabWithCylindricalPore self, StringKey a0)
3352 remove_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0)
3353 remove_attribute(SlabWithCylindricalPore self, ObjectKey a0)
3354 remove_attribute(SlabWithCylindricalPore self, SparseFloatKey a0)
3355 remove_attribute(SlabWithCylindricalPore self, SparseIntKey a0)
3356 remove_attribute(SlabWithCylindricalPore self, SparseStringKey a0)
3357 remove_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0)
3359 return _IMP_npctransport.SlabWithCylindricalPore_remove_attribute(self, *args)
3361 def has_attribute(self, *args):
3363 has_attribute(SlabWithCylindricalPore self, FloatKey a0) -> bool
3364 has_attribute(SlabWithCylindricalPore self, IntKey a0) -> bool
3365 has_attribute(SlabWithCylindricalPore self, FloatsKey a0) -> bool
3366 has_attribute(SlabWithCylindricalPore self, IntsKey a0) -> bool
3367 has_attribute(SlabWithCylindricalPore self, StringKey a0) -> bool
3368 has_attribute(SlabWithCylindricalPore self, ParticleIndexKey a0) -> bool
3369 has_attribute(SlabWithCylindricalPore self, ObjectKey a0) -> bool
3370 has_attribute(SlabWithCylindricalPore self, SparseFloatKey a0) -> bool
3371 has_attribute(SlabWithCylindricalPore self, SparseIntKey a0) -> bool
3372 has_attribute(SlabWithCylindricalPore self, SparseStringKey a0) -> bool
3373 has_attribute(SlabWithCylindricalPore self, SparseParticleIndexKey a0) -> bool
3375 return _IMP_npctransport.SlabWithCylindricalPore_has_attribute(self, *args)
3377 def get_derivative(self, a0):
3378 r"""get_derivative(SlabWithCylindricalPore self, FloatKey a0) -> double"""
3379 return _IMP_npctransport.SlabWithCylindricalPore_get_derivative(self, a0)
3382 r"""get_name(SlabWithCylindricalPore self) -> std::string"""
3383 return _IMP_npctransport.SlabWithCylindricalPore_get_name(self)
3385 def clear_caches(self):
3386 r"""clear_caches(SlabWithCylindricalPore self)"""
3387 return _IMP_npctransport.SlabWithCylindricalPore_clear_caches(self)
3389 def set_name(self, a0):
3390 r"""set_name(SlabWithCylindricalPore self, std::string a0)"""
3391 return _IMP_npctransport.SlabWithCylindricalPore_set_name(self, a0)
3394 r"""set_check_level(SlabWithCylindricalPore self, IMP::CheckLevel a0)"""
3395 return _IMP_npctransport.SlabWithCylindricalPore_set_check_level(self, a0)
3397 def add_to_derivative(self, a0, a1, a2):
3398 r"""add_to_derivative(SlabWithCylindricalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3399 return _IMP_npctransport.SlabWithCylindricalPore_add_to_derivative(self, a0, a1, a2)
3401 def set_is_optimized(self, a0, a1):
3402 r"""set_is_optimized(SlabWithCylindricalPore self, FloatKey a0, bool a1)"""
3403 return _IMP_npctransport.SlabWithCylindricalPore_set_is_optimized(self, a0, a1)
3405 def get_is_optimized(self, a0):
3406 r"""get_is_optimized(SlabWithCylindricalPore self, FloatKey a0) -> bool"""
3407 return _IMP_npctransport.SlabWithCylindricalPore_get_is_optimized(self, a0)
3410 r"""get_check_level(SlabWithCylindricalPore self) -> IMP::CheckLevel"""
3411 return _IMP_npctransport.SlabWithCylindricalPore_get_check_level(self)
3413 def __eq__(self, *args):
3415 __eq__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3416 __eq__(SlabWithCylindricalPore self, Particle d) -> bool
3418 return _IMP_npctransport.SlabWithCylindricalPore___eq__(self, *args)
3420 def __ne__(self, *args):
3422 __ne__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3423 __ne__(SlabWithCylindricalPore self, Particle d) -> bool
3425 return _IMP_npctransport.SlabWithCylindricalPore___ne__(self, *args)
3427 def __le__(self, *args):
3429 __le__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3430 __le__(SlabWithCylindricalPore self, Particle d) -> bool
3432 return _IMP_npctransport.SlabWithCylindricalPore___le__(self, *args)
3434 def __lt__(self, *args):
3436 __lt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3437 __lt__(SlabWithCylindricalPore self, Particle d) -> bool
3439 return _IMP_npctransport.SlabWithCylindricalPore___lt__(self, *args)
3441 def __ge__(self, *args):
3443 __ge__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3444 __ge__(SlabWithCylindricalPore self, Particle d) -> bool
3446 return _IMP_npctransport.SlabWithCylindricalPore___ge__(self, *args)
3448 def __gt__(self, *args):
3450 __gt__(SlabWithCylindricalPore self, SlabWithCylindricalPore o) -> bool
3451 __gt__(SlabWithCylindricalPore self, Particle d) -> bool
3453 return _IMP_npctransport.SlabWithCylindricalPore___gt__(self, *args)
3456 r"""__hash__(SlabWithCylindricalPore self) -> std::size_t"""
3457 return _IMP_npctransport.SlabWithCylindricalPore___hash__(self)
3460 r"""__str__(SlabWithCylindricalPore self) -> std::string"""
3461 return _IMP_npctransport.SlabWithCylindricalPore___str__(self)
3464 r"""__repr__(SlabWithCylindricalPore self) -> std::string"""
3465 return _IMP_npctransport.SlabWithCylindricalPore___repr__(self)
3467 def _get_as_binary(self):
3468 r"""_get_as_binary(SlabWithCylindricalPore self) -> PyObject *"""
3469 return _IMP_npctransport.SlabWithCylindricalPore__get_as_binary(self)
3471 def _set_from_binary(self, p):
3472 r"""_set_from_binary(SlabWithCylindricalPore self, PyObject * p)"""
3473 return _IMP_npctransport.SlabWithCylindricalPore__set_from_binary(self, p)
3475 def __getstate__(self):
3476 p = self._get_as_binary()
3477 if len(self.__dict__) > 1:
3478 d = self.__dict__.copy()
3483 def __setstate__(self, p):
3484 if not hasattr(self,
'this'):
3486 if isinstance(p, tuple):
3488 self.__dict__.update(d)
3489 return self._set_from_binary(p)
3491 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPore
3494 _IMP_npctransport.SlabWithCylindricalPore_swigregister(SlabWithCylindricalPore)
3495 class SlabWithToroidalPore(SlabWithPore):
3496 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPore class."""
3498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3500 def __init__(self, *args):
3502 __init__(SlabWithToroidalPore self) -> SlabWithToroidalPore
3503 __init__(SlabWithToroidalPore self, Model m, ParticleIndex id) -> SlabWithToroidalPore
3504 __init__(SlabWithToroidalPore self, _ParticleAdaptor d) -> SlabWithToroidalPore
3506 _IMP_npctransport.SlabWithToroidalPore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPore(*args))
3508 def show(self, *args):
3509 r"""show(SlabWithToroidalPore self, _ostream out=std::cout)"""
3510 return _IMP_npctransport.SlabWithToroidalPore_show(self, *args)
3513 def setup_particle(*args):
3515 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius) -> SlabWithToroidalPore
3516 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius) -> SlabWithToroidalPore
3517 setup_particle(Model m, ParticleIndex pi, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3518 setup_particle(_ParticleAdaptor pa, double thickness, double major_radius, double minor_radius_h2v_aspect_ratio) -> SlabWithToroidalPore
3520 return _IMP_npctransport.SlabWithToroidalPore_setup_particle(*args)
3523 def get_is_setup(*args):
3525 get_is_setup(_ParticleAdaptor p) -> bool
3526 get_is_setup(Model m, ParticleIndex pi) -> bool
3528 return _IMP_npctransport.SlabWithToroidalPore_get_is_setup(*args)
3530 def set_minor_radius_h2v_aspect_ratio(self, aspect_ratio):
3531 r"""set_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self, double aspect_ratio)"""
3532 return _IMP_npctransport.SlabWithToroidalPore_set_minor_radius_h2v_aspect_ratio(self, aspect_ratio)
3534 def get_minor_radius_h2v_aspect_ratio(self):
3535 r"""get_minor_radius_h2v_aspect_ratio(SlabWithToroidalPore self) -> double"""
3536 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio(self)
3538 def get_vertical_minor_radius(self):
3539 r"""get_vertical_minor_radius(SlabWithToroidalPore self) -> double"""
3540 return _IMP_npctransport.SlabWithToroidalPore_get_vertical_minor_radius(self)
3542 def set_vertical_minor_radius(self, rv):
3543 r"""set_vertical_minor_radius(SlabWithToroidalPore self, double rv)"""
3544 return _IMP_npctransport.SlabWithToroidalPore_set_vertical_minor_radius(self, rv)
3546 def get_horizontal_minor_radius(self):
3547 r"""get_horizontal_minor_radius(SlabWithToroidalPore self) -> double"""
3548 return _IMP_npctransport.SlabWithToroidalPore_get_horizontal_minor_radius(self)
3550 def set_horizontal_minor_radius(self, rh):
3551 r"""set_horizontal_minor_radius(SlabWithToroidalPore self, double rh)"""
3552 return _IMP_npctransport.SlabWithToroidalPore_set_horizontal_minor_radius(self, rh)
3555 def get_minor_radius_h2v_aspect_ratio_key():
3556 r"""get_minor_radius_h2v_aspect_ratio_key() -> FloatKey"""
3557 return _IMP_npctransport.SlabWithToroidalPore_get_minor_radius_h2v_aspect_ratio_key()
3560 def get_toroidal_pore_key():
3561 r"""get_toroidal_pore_key() -> IntKey"""
3562 return _IMP_npctransport.SlabWithToroidalPore_get_toroidal_pore_key()
3564 def add_attribute(self, *args):
3566 add_attribute(SlabWithToroidalPore self, FloatKey k, IMP::Float v, bool opt)
3567 add_attribute(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3568 add_attribute(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3569 add_attribute(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3570 add_attribute(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3571 add_attribute(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3572 add_attribute(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3573 add_attribute(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3574 add_attribute(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3575 add_attribute(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3576 add_attribute(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3577 add_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3579 return _IMP_npctransport.SlabWithToroidalPore_add_attribute(self, *args)
3581 def get_value(self, *args):
3583 get_value(SlabWithToroidalPore self, FloatKey a0) -> IMP::Float
3584 get_value(SlabWithToroidalPore self, IntKey a0) -> IMP::Int
3585 get_value(SlabWithToroidalPore self, FloatsKey a0) -> IMP::Floats
3586 get_value(SlabWithToroidalPore self, IntsKey a0) -> IMP::Ints
3587 get_value(SlabWithToroidalPore self, StringKey a0) -> IMP::String
3588 get_value(SlabWithToroidalPore self, ParticleIndexKey a0) -> Particle
3589 get_value(SlabWithToroidalPore self, ObjectKey a0) -> Object
3590 get_value(SlabWithToroidalPore self, SparseFloatKey a0) -> IMP::Float
3591 get_value(SlabWithToroidalPore self, SparseIntKey a0) -> IMP::Int
3592 get_value(SlabWithToroidalPore self, SparseStringKey a0) -> IMP::String
3593 get_value(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> ParticleIndex
3595 return _IMP_npctransport.SlabWithToroidalPore_get_value(self, *args)
3597 def set_value(self, *args):
3599 set_value(SlabWithToroidalPore self, FloatKey a0, IMP::Float a1)
3600 set_value(SlabWithToroidalPore self, IntKey a0, IMP::Int a1)
3601 set_value(SlabWithToroidalPore self, FloatsKey a0, IMP::Floats a1)
3602 set_value(SlabWithToroidalPore self, IntsKey a0, IMP::Ints a1)
3603 set_value(SlabWithToroidalPore self, StringKey a0, IMP::String a1)
3604 set_value(SlabWithToroidalPore self, ParticleIndexKey a0, Particle a1)
3605 set_value(SlabWithToroidalPore self, ObjectKey a0, Object a1)
3606 set_value(SlabWithToroidalPore self, SparseFloatKey a0, IMP::Float a1)
3607 set_value(SlabWithToroidalPore self, SparseIntKey a0, IMP::Int a1)
3608 set_value(SlabWithToroidalPore self, SparseStringKey a0, IMP::String a1)
3609 set_value(SlabWithToroidalPore self, SparseParticleIndexKey a0, ParticleIndex a1)
3611 return _IMP_npctransport.SlabWithToroidalPore_set_value(self, *args)
3613 def remove_attribute(self, *args):
3615 remove_attribute(SlabWithToroidalPore self, FloatKey a0)
3616 remove_attribute(SlabWithToroidalPore self, IntKey a0)
3617 remove_attribute(SlabWithToroidalPore self, FloatsKey a0)
3618 remove_attribute(SlabWithToroidalPore self, IntsKey a0)
3619 remove_attribute(SlabWithToroidalPore self, StringKey a0)
3620 remove_attribute(SlabWithToroidalPore self, ParticleIndexKey a0)
3621 remove_attribute(SlabWithToroidalPore self, ObjectKey a0)
3622 remove_attribute(SlabWithToroidalPore self, SparseFloatKey a0)
3623 remove_attribute(SlabWithToroidalPore self, SparseIntKey a0)
3624 remove_attribute(SlabWithToroidalPore self, SparseStringKey a0)
3625 remove_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0)
3627 return _IMP_npctransport.SlabWithToroidalPore_remove_attribute(self, *args)
3629 def has_attribute(self, *args):
3631 has_attribute(SlabWithToroidalPore self, FloatKey a0) -> bool
3632 has_attribute(SlabWithToroidalPore self, IntKey a0) -> bool
3633 has_attribute(SlabWithToroidalPore self, FloatsKey a0) -> bool
3634 has_attribute(SlabWithToroidalPore self, IntsKey a0) -> bool
3635 has_attribute(SlabWithToroidalPore self, StringKey a0) -> bool
3636 has_attribute(SlabWithToroidalPore self, ParticleIndexKey a0) -> bool
3637 has_attribute(SlabWithToroidalPore self, ObjectKey a0) -> bool
3638 has_attribute(SlabWithToroidalPore self, SparseFloatKey a0) -> bool
3639 has_attribute(SlabWithToroidalPore self, SparseIntKey a0) -> bool
3640 has_attribute(SlabWithToroidalPore self, SparseStringKey a0) -> bool
3641 has_attribute(SlabWithToroidalPore self, SparseParticleIndexKey a0) -> bool
3643 return _IMP_npctransport.SlabWithToroidalPore_has_attribute(self, *args)
3645 def get_derivative(self, a0):
3646 r"""get_derivative(SlabWithToroidalPore self, FloatKey a0) -> double"""
3647 return _IMP_npctransport.SlabWithToroidalPore_get_derivative(self, a0)
3650 r"""get_name(SlabWithToroidalPore self) -> std::string"""
3651 return _IMP_npctransport.SlabWithToroidalPore_get_name(self)
3653 def clear_caches(self):
3654 r"""clear_caches(SlabWithToroidalPore self)"""
3655 return _IMP_npctransport.SlabWithToroidalPore_clear_caches(self)
3657 def set_name(self, a0):
3658 r"""set_name(SlabWithToroidalPore self, std::string a0)"""
3659 return _IMP_npctransport.SlabWithToroidalPore_set_name(self, a0)
3662 r"""set_check_level(SlabWithToroidalPore self, IMP::CheckLevel a0)"""
3663 return _IMP_npctransport.SlabWithToroidalPore_set_check_level(self, a0)
3665 def add_to_derivative(self, a0, a1, a2):
3666 r"""add_to_derivative(SlabWithToroidalPore self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3667 return _IMP_npctransport.SlabWithToroidalPore_add_to_derivative(self, a0, a1, a2)
3669 def set_is_optimized(self, a0, a1):
3670 r"""set_is_optimized(SlabWithToroidalPore self, FloatKey a0, bool a1)"""
3671 return _IMP_npctransport.SlabWithToroidalPore_set_is_optimized(self, a0, a1)
3673 def get_is_optimized(self, a0):
3674 r"""get_is_optimized(SlabWithToroidalPore self, FloatKey a0) -> bool"""
3675 return _IMP_npctransport.SlabWithToroidalPore_get_is_optimized(self, a0)
3678 r"""get_check_level(SlabWithToroidalPore self) -> IMP::CheckLevel"""
3679 return _IMP_npctransport.SlabWithToroidalPore_get_check_level(self)
3681 def __eq__(self, *args):
3683 __eq__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3684 __eq__(SlabWithToroidalPore self, Particle d) -> bool
3686 return _IMP_npctransport.SlabWithToroidalPore___eq__(self, *args)
3688 def __ne__(self, *args):
3690 __ne__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3691 __ne__(SlabWithToroidalPore self, Particle d) -> bool
3693 return _IMP_npctransport.SlabWithToroidalPore___ne__(self, *args)
3695 def __le__(self, *args):
3697 __le__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3698 __le__(SlabWithToroidalPore self, Particle d) -> bool
3700 return _IMP_npctransport.SlabWithToroidalPore___le__(self, *args)
3702 def __lt__(self, *args):
3704 __lt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3705 __lt__(SlabWithToroidalPore self, Particle d) -> bool
3707 return _IMP_npctransport.SlabWithToroidalPore___lt__(self, *args)
3709 def __ge__(self, *args):
3711 __ge__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3712 __ge__(SlabWithToroidalPore self, Particle d) -> bool
3714 return _IMP_npctransport.SlabWithToroidalPore___ge__(self, *args)
3716 def __gt__(self, *args):
3718 __gt__(SlabWithToroidalPore self, SlabWithToroidalPore o) -> bool
3719 __gt__(SlabWithToroidalPore self, Particle d) -> bool
3721 return _IMP_npctransport.SlabWithToroidalPore___gt__(self, *args)
3724 r"""__hash__(SlabWithToroidalPore self) -> std::size_t"""
3725 return _IMP_npctransport.SlabWithToroidalPore___hash__(self)
3728 r"""__str__(SlabWithToroidalPore self) -> std::string"""
3729 return _IMP_npctransport.SlabWithToroidalPore___str__(self)
3732 r"""__repr__(SlabWithToroidalPore self) -> std::string"""
3733 return _IMP_npctransport.SlabWithToroidalPore___repr__(self)
3735 def _get_as_binary(self):
3736 r"""_get_as_binary(SlabWithToroidalPore self) -> PyObject *"""
3737 return _IMP_npctransport.SlabWithToroidalPore__get_as_binary(self)
3739 def _set_from_binary(self, p):
3740 r"""_set_from_binary(SlabWithToroidalPore self, PyObject * p)"""
3741 return _IMP_npctransport.SlabWithToroidalPore__set_from_binary(self, p)
3743 def __getstate__(self):
3744 p = self._get_as_binary()
3745 if len(self.__dict__) > 1:
3746 d = self.__dict__.copy()
3751 def __setstate__(self, p):
3752 if not hasattr(self,
'this'):
3754 if isinstance(p, tuple):
3756 self.__dict__.update(d)
3757 return self._set_from_binary(p)
3759 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPore
3762 _IMP_npctransport.SlabWithToroidalPore_swigregister(SlabWithToroidalPore)
3764 def __lshift__(*args):
3766 __lshift__(_ostream out, RelaxingSpring n) -> _ostream
3767 __lshift__(_ostream out, Transporting n) -> _ostream
3768 __lshift__(_ostream out, SlabWithPore n) -> _ostream
3769 __lshift__(_ostream out, SlabWithCylindricalPore n) -> _ostream
3770 __lshift__(_ostream out, SlabWithToroidalPore n) -> _ostream
3772 return _IMP_npctransport.__lshift__(*args)
3774 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPorePairScore class."""
3776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3778 def __init__(self, k):
3779 r"""__init__(SlabWithCylindricalPorePairScore self, double k) -> SlabWithCylindricalPorePairScore"""
3780 _IMP_npctransport.SlabWithCylindricalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPorePairScore(k))
3782 def get_displacement_direction(self, slab, v):
3783 r"""get_displacement_direction(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> Vector3D"""
3784 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_direction(self, slab, v)
3786 def get_displacement_magnitude(self, slab, v):
3787 r"""get_displacement_magnitude(SlabWithCylindricalPorePairScore self, SlabWithCylindricalPore slab, Vector3D v) -> double"""
3788 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_displacement_magnitude(self, slab, v)
3790 def do_get_inputs(self, m, pis):
3791 r"""do_get_inputs(SlabWithCylindricalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3792 return _IMP_npctransport.SlabWithCylindricalPorePairScore_do_get_inputs(self, m, pis)
3794 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3795 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"""
3796 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3798 def evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3799 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"""
3800 return _IMP_npctransport.SlabWithCylindricalPorePairScore_evaluate_if_good_indexes(self, m, pips, da, max, lower_bound, upper_bound, all_indexes_checked)
3802 def get_version_info(self):
3803 r"""get_version_info(SlabWithCylindricalPorePairScore self) -> VersionInfo"""
3804 return _IMP_npctransport.SlabWithCylindricalPorePairScore_get_version_info(self)
3805 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPorePairScore
3808 r"""__str__(SlabWithCylindricalPorePairScore self) -> std::string"""
3809 return _IMP_npctransport.SlabWithCylindricalPorePairScore___str__(self)
3812 r"""__repr__(SlabWithCylindricalPorePairScore self) -> std::string"""
3813 return _IMP_npctransport.SlabWithCylindricalPorePairScore___repr__(self)
3817 return _object_cast_to_SlabWithCylindricalPorePairScore(o)
3821 _IMP_npctransport.SlabWithCylindricalPorePairScore_swigregister(SlabWithCylindricalPorePairScore)
3823 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPorePairScore class."""
3825 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3827 def __init__(self, k):
3828 r"""__init__(SlabWithToroidalPorePairScore self, double k) -> SlabWithToroidalPorePairScore"""
3829 _IMP_npctransport.SlabWithToroidalPorePairScore_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPorePairScore(k))
3831 def do_get_inputs(self, m, pis):
3832 r"""do_get_inputs(SlabWithToroidalPorePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3833 return _IMP_npctransport.SlabWithToroidalPorePairScore_do_get_inputs(self, m, pis)
3835 def evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked=False):
3836 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"""
3837 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_indexes(self, m, pips, da, lower_bound, upper_bound, all_indexes_checked)
3839 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3840 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"""
3841 return _IMP_npctransport.SlabWithToroidalPorePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3843 def get_version_info(self):
3844 r"""get_version_info(SlabWithToroidalPorePairScore self) -> VersionInfo"""
3845 return _IMP_npctransport.SlabWithToroidalPorePairScore_get_version_info(self)
3846 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPorePairScore
3849 r"""__str__(SlabWithToroidalPorePairScore self) -> std::string"""
3850 return _IMP_npctransport.SlabWithToroidalPorePairScore___str__(self)
3853 r"""__repr__(SlabWithToroidalPorePairScore self) -> std::string"""
3854 return _IMP_npctransport.SlabWithToroidalPorePairScore___repr__(self)
3858 return _object_cast_to_SlabWithToroidalPorePairScore(o)
3862 _IMP_npctransport.SlabWithToroidalPorePairScore_swigregister(SlabWithToroidalPorePairScore)
3864 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreWireGeometry class."""
3866 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3868 def __init__(self, height, radius, length):
3869 r"""__init__(SlabWithCylindricalPoreWireGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreWireGeometry"""
3870 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreWireGeometry(height, radius, length))
3872 def get_version_info(self):
3873 r"""get_version_info(SlabWithCylindricalPoreWireGeometry self) -> VersionInfo"""
3874 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_get_version_info(self)
3875 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreWireGeometry
3878 r"""__str__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3879 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___str__(self)
3882 r"""__repr__(SlabWithCylindricalPoreWireGeometry self) -> std::string"""
3883 return _IMP_npctransport.SlabWithCylindricalPoreWireGeometry___repr__(self)
3887 return _object_cast_to_SlabWithCylindricalPoreWireGeometry(o)
3891 _IMP_npctransport.SlabWithCylindricalPoreWireGeometry_swigregister(SlabWithCylindricalPoreWireGeometry)
3893 r"""Proxy of C++ IMP::npctransport::SlabWithCylindricalPoreSurfaceGeometry class."""
3895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3897 def __init__(self, height, radius, length):
3898 r"""__init__(SlabWithCylindricalPoreSurfaceGeometry self, double height, double radius, double length) -> SlabWithCylindricalPoreSurfaceGeometry"""
3899 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swiginit(self, _IMP_npctransport.new_SlabWithCylindricalPoreSurfaceGeometry(height, radius, length))
3902 r"""__str__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3903 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___str__(self)
3906 r"""__repr__(SlabWithCylindricalPoreSurfaceGeometry self) -> std::string"""
3907 return _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry___repr__(self)
3911 return _object_cast_to_SlabWithCylindricalPoreSurfaceGeometry(o)
3913 __swig_destroy__ = _IMP_npctransport.delete_SlabWithCylindricalPoreSurfaceGeometry
3916 _IMP_npctransport.SlabWithCylindricalPoreSurfaceGeometry_swigregister(SlabWithCylindricalPoreSurfaceGeometry)
3918 r"""Proxy of C++ IMP::npctransport::SlabWithToroidalPoreWireGeometry class."""
3920 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3922 def __init__(self, *args):
3924 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double horizontal_semiaxis, double slab_length) -> SlabWithToroidalPoreWireGeometry
3925 __init__(SlabWithToroidalPoreWireGeometry self, double slab_height, double major_radius, double slab_length) -> SlabWithToroidalPoreWireGeometry
3927 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swiginit(self, _IMP_npctransport.new_SlabWithToroidalPoreWireGeometry(*args))
3929 def get_version_info(self):
3930 r"""get_version_info(SlabWithToroidalPoreWireGeometry self) -> VersionInfo"""
3931 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry_get_version_info(self)
3932 __swig_destroy__ = _IMP_npctransport.delete_SlabWithToroidalPoreWireGeometry
3935 r"""__str__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3936 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___str__(self)
3939 r"""__repr__(SlabWithToroidalPoreWireGeometry self) -> std::string"""
3940 return _IMP_npctransport.SlabWithToroidalPoreWireGeometry___repr__(self)
3944 return _object_cast_to_SlabWithToroidalPoreWireGeometry(o)
3948 _IMP_npctransport.SlabWithToroidalPoreWireGeometry_swigregister(SlabWithToroidalPoreWireGeometry)
3950 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< IMP::core::Harmonic > class."""
3952 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3953 __repr__ = _swig_repr
3955 def __init__(self, f, k):
3956 r"""__init__(_GenericAttributeSingletonScoreForPoreRadus self, Harmonic f, FloatKey k) -> _GenericAttributeSingletonScoreForPoreRadus"""
3957 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swiginit(self, _IMP_npctransport.new__GenericAttributeSingletonScoreForPoreRadus(f, k))
3959 def do_get_inputs(self, m, pis):
3960 r"""do_get_inputs(_GenericAttributeSingletonScoreForPoreRadus self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3961 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_do_get_inputs(self, m, pis)
3963 def get_unary_function(self):
3964 r"""get_unary_function(_GenericAttributeSingletonScoreForPoreRadus self) -> Harmonic"""
3965 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_unary_function(self)
3967 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3968 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"""
3969 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3971 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3972 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"""
3973 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3975 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3976 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"""
3977 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3979 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3980 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"""
3981 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3983 def get_version_info(self):
3984 r"""get_version_info(_GenericAttributeSingletonScoreForPoreRadus self) -> VersionInfo"""
3985 return _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_get_version_info(self)
3986 __swig_destroy__ = _IMP_npctransport.delete__GenericAttributeSingletonScoreForPoreRadus
3989 _IMP_npctransport._GenericAttributeSingletonScoreForPoreRadus_swigregister(_GenericAttributeSingletonScoreForPoreRadus)
3990 class PoreRadiusSingletonScore(_GenericAttributeSingletonScoreForPoreRadus):
3991 r"""Proxy of C++ IMP::npctransport::PoreRadiusSingletonScore class."""
3993 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3995 def __init__(self, mean, k):
3996 r"""__init__(PoreRadiusSingletonScore self, IMP::Float mean, IMP::Float k) -> PoreRadiusSingletonScore"""
3997 _IMP_npctransport.PoreRadiusSingletonScore_swiginit(self, _IMP_npctransport.new_PoreRadiusSingletonScore(mean, k))
4000 r"""set_k(PoreRadiusSingletonScore self, double k)"""
4001 return _IMP_npctransport.PoreRadiusSingletonScore_set_k(self, k)
4003 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4004 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"""
4005 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4007 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4008 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"""
4009 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4011 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4012 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"""
4013 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4015 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4016 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"""
4017 return _IMP_npctransport.PoreRadiusSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4018 __swig_destroy__ = _IMP_npctransport.delete_PoreRadiusSingletonScore
4021 r"""__str__(PoreRadiusSingletonScore self) -> std::string"""
4022 return _IMP_npctransport.PoreRadiusSingletonScore___str__(self)
4025 r"""__repr__(PoreRadiusSingletonScore self) -> std::string"""
4026 return _IMP_npctransport.PoreRadiusSingletonScore___repr__(self)
4030 return _object_cast_to_PoreRadiusSingletonScore(o)
4034 _IMP_npctransport.PoreRadiusSingletonScore_swigregister(PoreRadiusSingletonScore)
4036 r"""Proxy of C++ IMP::npctransport::ExcludeZRangeSingletonScore class."""
4038 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4040 def __init__(self, bottom, top, k):
4041 r"""__init__(ExcludeZRangeSingletonScore self, double bottom, double top, double k) -> ExcludeZRangeSingletonScore"""
4042 _IMP_npctransport.ExcludeZRangeSingletonScore_swiginit(self, _IMP_npctransport.new_ExcludeZRangeSingletonScore(bottom, top, k))
4044 def get_bottom_z(self):
4045 r"""get_bottom_z(ExcludeZRangeSingletonScore self) -> double"""
4046 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_bottom_z(self)
4048 def get_top_z(self):
4049 r"""get_top_z(ExcludeZRangeSingletonScore self) -> double"""
4050 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_top_z(self)
4053 r"""get_k(ExcludeZRangeSingletonScore self) -> double"""
4054 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_k(self)
4056 def do_get_inputs(self, m, pis):
4057 r"""do_get_inputs(ExcludeZRangeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4058 return _IMP_npctransport.ExcludeZRangeSingletonScore_do_get_inputs(self, m, pis)
4060 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4061 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"""
4062 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4064 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4065 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"""
4066 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4068 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4069 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"""
4070 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4072 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4073 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"""
4074 return _IMP_npctransport.ExcludeZRangeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4076 def get_version_info(self):
4077 r"""get_version_info(ExcludeZRangeSingletonScore self) -> VersionInfo"""
4078 return _IMP_npctransport.ExcludeZRangeSingletonScore_get_version_info(self)
4079 __swig_destroy__ = _IMP_npctransport.delete_ExcludeZRangeSingletonScore
4082 r"""__str__(ExcludeZRangeSingletonScore self) -> std::string"""
4083 return _IMP_npctransport.ExcludeZRangeSingletonScore___str__(self)
4086 r"""__repr__(ExcludeZRangeSingletonScore self) -> std::string"""
4087 return _IMP_npctransport.ExcludeZRangeSingletonScore___repr__(self)
4091 return _object_cast_to_ExcludeZRangeSingletonScore(o)
4095 _IMP_npctransport.ExcludeZRangeSingletonScore_swigregister(ExcludeZRangeSingletonScore)
4097 r"""Proxy of C++ IMP::npctransport::ZBiasSingletonScore class."""
4099 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4101 def __init__(self, *args):
4102 r"""__init__(ZBiasSingletonScore self, double k, double max_r=HALF_SQRT_MAX_DOUBLE) -> ZBiasSingletonScore"""
4103 _IMP_npctransport.ZBiasSingletonScore_swiginit(self, _IMP_npctransport.new_ZBiasSingletonScore(*args))
4106 r"""get_k(ZBiasSingletonScore self) -> double"""
4107 return _IMP_npctransport.ZBiasSingletonScore_get_k(self)
4110 r"""set_k(ZBiasSingletonScore self, double k)"""
4111 return _IMP_npctransport.ZBiasSingletonScore_set_k(self, k)
4113 def do_get_inputs(self, m, pis):
4114 r"""do_get_inputs(ZBiasSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4115 return _IMP_npctransport.ZBiasSingletonScore_do_get_inputs(self, m, pis)
4117 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4118 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"""
4119 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4121 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4122 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"""
4123 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4125 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4126 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"""
4127 return _IMP_npctransport.ZBiasSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4129 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4130 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"""
4131 return _IMP_npctransport.ZBiasSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4133 def get_version_info(self):
4134 r"""get_version_info(ZBiasSingletonScore self) -> VersionInfo"""
4135 return _IMP_npctransport.ZBiasSingletonScore_get_version_info(self)
4136 __swig_destroy__ = _IMP_npctransport.delete_ZBiasSingletonScore
4139 r"""__str__(ZBiasSingletonScore self) -> std::string"""
4140 return _IMP_npctransport.ZBiasSingletonScore___str__(self)
4143 r"""__repr__(ZBiasSingletonScore self) -> std::string"""
4144 return _IMP_npctransport.ZBiasSingletonScore___repr__(self)
4148 return _object_cast_to_ZBiasSingletonScore(o)
4152 _IMP_npctransport.ZBiasSingletonScore_swigregister(ZBiasSingletonScore)
4154 r"""Proxy of C++ IMP::npctransport::BodyStatisticsOptimizerState class."""
4156 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4158 def __init__(self, p, statistics_manager=None, periodicity=1):
4159 r"""__init__(BodyStatisticsOptimizerState self, Particle p, Statistics statistics_manager=None, unsigned int periodicity=1) -> BodyStatisticsOptimizerState"""
4160 _IMP_npctransport.BodyStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BodyStatisticsOptimizerState(p, statistics_manager, periodicity))
4162 def get_correlation_time(self):
4163 r"""get_correlation_time(BodyStatisticsOptimizerState self) -> double"""
4164 return _IMP_npctransport.BodyStatisticsOptimizerState_get_correlation_time(self)
4167 r"""get_diffusion_coefficient(BodyStatisticsOptimizerState self) -> double"""
4168 return _IMP_npctransport.BodyStatisticsOptimizerState_get_diffusion_coefficient(self)
4170 def update_particle_type_zr_distribution_map(self):
4171 r"""update_particle_type_zr_distribution_map(BodyStatisticsOptimizerState self)"""
4172 return _IMP_npctransport.BodyStatisticsOptimizerState_update_particle_type_zr_distribution_map(self)
4174 def do_update(self, call_num):
4175 r"""do_update(BodyStatisticsOptimizerState self, unsigned int call_num)"""
4176 return _IMP_npctransport.BodyStatisticsOptimizerState_do_update(self, call_num)
4178 def get_version_info(self):
4179 r"""get_version_info(BodyStatisticsOptimizerState self) -> VersionInfo"""
4180 return _IMP_npctransport.BodyStatisticsOptimizerState_get_version_info(self)
4181 __swig_destroy__ = _IMP_npctransport.delete_BodyStatisticsOptimizerState
4184 r"""__str__(BodyStatisticsOptimizerState self) -> std::string"""
4185 return _IMP_npctransport.BodyStatisticsOptimizerState___str__(self)
4188 r"""__repr__(BodyStatisticsOptimizerState self) -> std::string"""
4189 return _IMP_npctransport.BodyStatisticsOptimizerState___repr__(self)
4193 return _object_cast_to_BodyStatisticsOptimizerState(o)
4197 _IMP_npctransport.BodyStatisticsOptimizerState_swigregister(BodyStatisticsOptimizerState)
4199 r"""Proxy of C++ IMP::npctransport::ParticleTransportStatisticsOptimizerState class."""
4201 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4203 def __init__(self, p, bottom_z, top_z, statistics_manager=0, owner=0):
4204 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"""
4205 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ParticleTransportStatisticsOptimizerState(p, bottom_z, top_z, statistics_manager, owner))
4207 def set_owner(self, owner):
4208 r"""set_owner(ParticleTransportStatisticsOptimizerState self, WeakPointer< IMP::atom::Simulator > owner)"""
4209 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_set_owner(self, owner)
4211 def get_owner(self):
4212 r"""get_owner(ParticleTransportStatisticsOptimizerState self) -> Simulator"""
4213 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_owner(self)
4215 def get_n_transports_up(self):
4216 r"""get_n_transports_up(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4217 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_up(self)
4219 def get_n_transports_down(self):
4220 r"""get_n_transports_down(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4221 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_n_transports_down(self)
4223 def get_total_n_transports(self):
4224 r"""get_total_n_transports(ParticleTransportStatisticsOptimizerState self) -> unsigned int"""
4225 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_total_n_transports(self)
4227 def get_transport_time_points_in_ns(self):
4228 r"""get_transport_time_points_in_ns(ParticleTransportStatisticsOptimizerState self) -> IMP::Floats const &"""
4229 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_transport_time_points_in_ns(self)
4231 def do_update(self, call_num):
4232 r"""do_update(ParticleTransportStatisticsOptimizerState self, unsigned int call_num)"""
4233 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_do_update(self, call_num)
4235 def get_version_info(self):
4236 r"""get_version_info(ParticleTransportStatisticsOptimizerState self) -> VersionInfo"""
4237 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState_get_version_info(self)
4238 __swig_destroy__ = _IMP_npctransport.delete_ParticleTransportStatisticsOptimizerState
4241 r"""__str__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4242 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___str__(self)
4245 r"""__repr__(ParticleTransportStatisticsOptimizerState self) -> std::string"""
4246 return _IMP_npctransport.ParticleTransportStatisticsOptimizerState___repr__(self)
4250 return _object_cast_to_ParticleTransportStatisticsOptimizerState(o)
4254 _IMP_npctransport.ParticleTransportStatisticsOptimizerState_swigregister(ParticleTransportStatisticsOptimizerState)
4256 r"""Proxy of C++ IMP::npctransport::ChainStatisticsOptimizerState class."""
4258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4260 def __init__(self, ps, periodicity=1):
4261 r"""__init__(ChainStatisticsOptimizerState self, IMP::ParticlesTemp const & ps, unsigned int periodicity=1) -> ChainStatisticsOptimizerState"""
4262 _IMP_npctransport.ChainStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_ChainStatisticsOptimizerState(ps, periodicity))
4264 def get_correlation_time(self):
4265 r"""get_correlation_time(ChainStatisticsOptimizerState self) -> double"""
4266 return _IMP_npctransport.ChainStatisticsOptimizerState_get_correlation_time(self)
4268 def get_local_diffusion_coefficients(self):
4269 r"""get_local_diffusion_coefficients(ChainStatisticsOptimizerState self) -> IMP::Floats"""
4270 return _IMP_npctransport.ChainStatisticsOptimizerState_get_local_diffusion_coefficients(self)
4273 r"""get_diffusion_coefficient(ChainStatisticsOptimizerState self) -> double"""
4274 return _IMP_npctransport.ChainStatisticsOptimizerState_get_diffusion_coefficient(self)
4276 def get_mean_radius_of_gyration(self):
4277 r"""get_mean_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4278 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_radius_of_gyration(self)
4280 def get_mean_square_radius_of_gyration(self):
4281 r"""get_mean_square_radius_of_gyration(ChainStatisticsOptimizerState self) -> double"""
4282 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_radius_of_gyration(self)
4284 def get_mean_end_to_end_distance(self):
4285 r"""get_mean_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4286 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_end_to_end_distance(self)
4288 def get_mean_square_end_to_end_distance(self):
4289 r"""get_mean_square_end_to_end_distance(ChainStatisticsOptimizerState self) -> double"""
4290 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_end_to_end_distance(self)
4292 def get_mean_bond_distance(self):
4293 r"""get_mean_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4294 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_bond_distance(self)
4296 def get_mean_square_bond_distance(self):
4297 r"""get_mean_square_bond_distance(ChainStatisticsOptimizerState self) -> double"""
4298 return _IMP_npctransport.ChainStatisticsOptimizerState_get_mean_square_bond_distance(self)
4300 def do_update(self, call_num):
4301 r"""do_update(ChainStatisticsOptimizerState self, unsigned int call_num)"""
4302 return _IMP_npctransport.ChainStatisticsOptimizerState_do_update(self, call_num)
4304 def get_version_info(self):
4305 r"""get_version_info(ChainStatisticsOptimizerState self) -> VersionInfo"""
4306 return _IMP_npctransport.ChainStatisticsOptimizerState_get_version_info(self)
4307 __swig_destroy__ = _IMP_npctransport.delete_ChainStatisticsOptimizerState
4310 r"""__str__(ChainStatisticsOptimizerState self) -> std::string"""
4311 return _IMP_npctransport.ChainStatisticsOptimizerState___str__(self)
4314 r"""__repr__(ChainStatisticsOptimizerState self) -> std::string"""
4315 return _IMP_npctransport.ChainStatisticsOptimizerState___repr__(self)
4319 return _object_cast_to_ChainStatisticsOptimizerState(o)
4323 _IMP_npctransport.ChainStatisticsOptimizerState_swigregister(ChainStatisticsOptimizerState)
4325 r"""Proxy of C++ IMP::npctransport::BipartitePairsStatisticsOptimizerState class."""
4327 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4329 def __init__(self, statistics_manager, interaction_type, particlesI, particlesII, contact_range=1.0, slack=1.0):
4330 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"""
4331 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swiginit(self, _IMP_npctransport.new_BipartitePairsStatisticsOptimizerState(statistics_manager, interaction_type, particlesI, particlesII, contact_range, slack))
4333 def get_interaction_type(self):
4334 r"""get_interaction_type(BipartitePairsStatisticsOptimizerState self) -> IMP::npctransport::InteractionType"""
4335 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_interaction_type(self)
4337 def get_average_number_of_contacts(self):
4338 r"""get_average_number_of_contacts(BipartitePairsStatisticsOptimizerState self) -> double"""
4339 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_number_of_contacts(self)
4341 def get_average_off_per_contact_per_ns(self):
4342 r"""get_average_off_per_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4343 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_contact_per_ns(self)
4345 def get_average_off_per_bound_I_per_ns(self):
4346 r"""get_average_off_per_bound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4347 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_I_per_ns(self)
4349 def get_average_off_per_bound_II_per_ns(self):
4350 r"""get_average_off_per_bound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4351 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_off_per_bound_II_per_ns(self)
4353 def get_average_on_per_missing_contact_per_ns(self):
4354 r"""get_average_on_per_missing_contact_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4355 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_missing_contact_per_ns(self)
4357 def get_average_on_per_unbound_I_per_ns(self):
4358 r"""get_average_on_per_unbound_I_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4359 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_I_per_ns(self)
4361 def get_average_on_per_unbound_II_per_ns(self):
4362 r"""get_average_on_per_unbound_II_per_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4363 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_on_per_unbound_II_per_ns(self)
4365 def get_average_fraction_bound_particles_I(self):
4366 r"""get_average_fraction_bound_particles_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4367 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_I(self)
4369 def get_average_fraction_bound_particles_II(self):
4370 r"""get_average_fraction_bound_particles_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4371 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particles_II(self)
4373 def get_average_fraction_bound_particle_sites_I(self):
4374 r"""get_average_fraction_bound_particle_sites_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4375 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_I(self)
4377 def get_average_fraction_bound_particle_sites_II(self):
4378 r"""get_average_fraction_bound_particle_sites_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4379 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_bound_particle_sites_II(self)
4381 def get_average_fraction_nonspecific_interactions_I(self):
4382 r"""get_average_fraction_nonspecific_interactions_I(BipartitePairsStatisticsOptimizerState self) -> double"""
4383 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_I(self)
4385 def get_average_fraction_nonspecific_interactions_II(self):
4386 r"""get_average_fraction_nonspecific_interactions_II(BipartitePairsStatisticsOptimizerState self) -> double"""
4387 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_average_fraction_nonspecific_interactions_II(self)
4389 def get_number_of_particles_1(self):
4390 r"""get_number_of_particles_1(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4391 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_1(self)
4393 def get_number_of_particles_2(self):
4394 r"""get_number_of_particles_2(BipartitePairsStatisticsOptimizerState self) -> IMP::Int"""
4395 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_number_of_particles_2(self)
4397 def get_misc_stats_period_ns(self):
4398 r"""get_misc_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4399 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_misc_stats_period_ns(self)
4401 def get_off_stats_period_ns(self):
4402 r"""get_off_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4403 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_stats_period_ns(self)
4405 def get_off_I_stats_period_ns(self):
4406 r"""get_off_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4407 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_I_stats_period_ns(self)
4409 def get_off_II_stats_period_ns(self):
4410 r"""get_off_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4411 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_off_II_stats_period_ns(self)
4413 def get_on_stats_period_ns(self):
4414 r"""get_on_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4415 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_stats_period_ns(self)
4417 def get_on_I_stats_period_ns(self):
4418 r"""get_on_I_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4419 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_I_stats_period_ns(self)
4421 def get_on_II_stats_period_ns(self):
4422 r"""get_on_II_stats_period_ns(BipartitePairsStatisticsOptimizerState self) -> double"""
4423 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_on_II_stats_period_ns(self)
4425 def get_version_info(self):
4426 r"""get_version_info(BipartitePairsStatisticsOptimizerState self) -> VersionInfo"""
4427 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState_get_version_info(self)
4428 __swig_destroy__ = _IMP_npctransport.delete_BipartitePairsStatisticsOptimizerState
4431 r"""__str__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4432 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___str__(self)
4435 r"""__repr__(BipartitePairsStatisticsOptimizerState self) -> std::string"""
4436 return _IMP_npctransport.BipartitePairsStatisticsOptimizerState___repr__(self)
4440 return _object_cast_to_BipartitePairsStatisticsOptimizerState(o)
4444 _IMP_npctransport.BipartitePairsStatisticsOptimizerState_swigregister(BipartitePairsStatisticsOptimizerState)
4446 def get_close_pairs_range(*args):
4448 get_close_pairs_range(double max_range, double max_range_factor) -> double
4449 get_close_pairs_range(::npctransport_proto::Assignment const & config) -> double
4451 return _IMP_npctransport.get_close_pairs_range(*args)
4455 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
4456 get_time_step(::npctransport_proto::Assignment const & config, double max_trans_relative_to_radius=0.1) -> double
4458 return _IMP_npctransport.get_time_step(*args)
4461 r"""get_frames_from_ns(double ns, double time_step) -> int"""
4462 return _IMP_npctransport.get_frames_from_ns(ns, time_step)
4465 r"""get_number_of_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4466 return _IMP_npctransport.get_number_of_frames(config, time_step)
4469 r"""get_dump_interval_in_frames(::npctransport_proto::Assignment const & config, double time_step) -> int"""
4470 return _IMP_npctransport.get_dump_interval_in_frames(config, time_step)
4473 r"""get_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=0.1) -> int"""
4474 return _IMP_npctransport.get_statistics_interval_in_frames(assign, time_step, default_value_ns)
4477 r"""get_output_statistics_interval_in_frames(::npctransport_proto::Assignment const & assign, double time_step, double default_value_ns=1.0) -> int"""
4478 return _IMP_npctransport.get_output_statistics_interval_in_frames(assign, time_step, default_value_ns)
4481 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)"""
4482 return _IMP_npctransport.initialize_positions(*args)
4485 r"""get_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4486 return _IMP_npctransport.get_optimizable_particles(particles)
4489 r"""get_non_optimizable_particles(IMP::ParticlesTemp const & particles) -> IMP::ParticlesTemp"""
4490 return _IMP_npctransport.get_non_optimizable_particles(particles)
4493 r"""get_particle_indexes(IMP::ParticlesTemp const & particles) -> IMP::ParticleIndexes"""
4494 return _IMP_npctransport.get_particle_indexes(particles)
4497 r"""get_protobuf_configuration_from_text(std::string config_txt, std::string config_pb)"""
4498 return _IMP_npctransport.get_protobuf_configuration_from_text(config_txt, config_pb)
4501 r"""get_spheres_from_vectors(IMP::algebra::Vector3Ds const & vs, double radius) -> IMP::algebra::Sphere3Ds"""
4502 return _IMP_npctransport.get_spheres_from_vectors(vs, radius)
4504 def get_spheres_centers(spheres):
4505 r"""get_spheres_centers(IMP::algebra::Sphere3Ds const & spheres) -> IMP::algebra::Vector3Ds"""
4506 return _IMP_npctransport.get_spheres_centers(spheres)
4509 r"""copy_particle_reference_frame_if_applicable(Particle src_p, Particle trg_p)"""
4510 return _IMP_npctransport.copy_particle_reference_frame_if_applicable(src_p, trg_p)
4513 r"""copy_hierarchy_reference_frame_recursive(Particle src_p, Particle trg_p)"""
4514 return _IMP_npctransport.copy_hierarchy_reference_frame_recursive(src_p, trg_p)
4517 r"""copy_FGs_coordinates(SimulationData src_sd, SimulationData trg_sd)"""
4518 return _IMP_npctransport.copy_FGs_coordinates(src_sd, trg_sd)
4519 class Avro2PBReader(object):
4520 r"""Proxy of C++ IMP::npctransport::Avro2PBReader class."""
4522 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4524 def __init__(self, *args):
4526 __init__(Avro2PBReader self, IMP::Strings const & avro_filenames) -> Avro2PBReader
4527 __init__(Avro2PBReader self, std::string avro_filename) -> Avro2PBReader
4529 _IMP_npctransport.Avro2PBReader_swiginit(self, _IMP_npctransport.new_Avro2PBReader(*args))
4530 __swig_destroy__ = _IMP_npctransport.delete_Avro2PBReader
4532 def read_next(self):
4533 r"""read_next(Avro2PBReader self) -> IMP::npctransport::Avro2PBReader::ByteBuffer"""
4534 return _IMP_npctransport.Avro2PBReader_read_next(self)
4536 def get_is_valid(self):
4537 r"""get_is_valid(Avro2PBReader self) -> bool"""
4538 return _IMP_npctransport.Avro2PBReader_get_is_valid(self)
4540 def get_cur_file_name(self):
4541 r"""get_cur_file_name(Avro2PBReader self) -> std::string"""
4542 return _IMP_npctransport.Avro2PBReader_get_cur_file_name(self)
4544 def show(self, *args):
4545 r"""show(Avro2PBReader self, _ostream out=std::cout)"""
4546 return _IMP_npctransport.Avro2PBReader_show(self, *args)
4549 r"""__str__(Avro2PBReader self) -> std::string"""
4550 return _IMP_npctransport.Avro2PBReader___str__(self)
4553 r"""__repr__(Avro2PBReader self) -> std::string"""
4554 return _IMP_npctransport.Avro2PBReader___repr__(self)
4557 _IMP_npctransport.Avro2PBReader_swigregister(Avro2PBReader)
4560 r"""startup(int argc) -> SimulationData"""
4561 return _IMP_npctransport.startup(argc)
4564 r"""remove_Nup42(SimulationData sd)"""
4565 return _IMP_npctransport.remove_Nup42(sd)
4568 r"""inflate_floater(SimulationData sd, std::string const floater_name, float const new_radius)"""
4569 return _IMP_npctransport.inflate_floater(sd, floater_name, new_radius)
4572 r"""reset_box_size(SimulationData sd, double box_size)"""
4573 return _IMP_npctransport.reset_box_size(sd, box_size)
4576 r"""do_main_loop(SimulationData sd, IMP::RestraintsTemp const & init_restraints)"""
4577 return _IMP_npctransport.do_main_loop(sd, init_restraints)
4580 from .npctransport_pb2
import *
4581 import google.protobuf
4583 print(
"no protobuf support in python")
4584 from ._configuration
import *
4590 r"""get_module_version() -> std::string const"""
4591 return _IMP_npctransport.get_module_version()
4594 r"""get_example_path(std::string fname) -> std::string"""
4595 return _IMP_npctransport.get_example_path(fname)
4598 r"""get_data_path(std::string fname) -> std::string"""
4599 return _IMP_npctransport.get_data_path(fname)
4601 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.
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