14 from sys
import version_info
as _swig_python_version_info
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_KERNEL_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_KERNEL_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_kernel.delete_IMP_KERNEL_SwigPyIterator
77 r"""value(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
78 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_value(self)
81 r"""incr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
82 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
86 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
94 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_KERNEL_SwigPyIterator self) -> IMP_KERNEL_SwigPyIterator"""
98 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_copy(self)
101 r"""next(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
102 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_next(self)
105 r"""__next__(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
106 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___next__(self)
109 r"""previous(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
110 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
114 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
118 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
122 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
126 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
130 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
134 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator
139 __sub__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___sub__(self, *args)
146 _IMP_kernel.IMP_KERNEL_SwigPyIterator_swigregister(IMP_KERNEL_SwigPyIterator)
153 IMP_DEBUG = _IMP_kernel.IMP_DEBUG
155 IMP_RELEASE = _IMP_kernel.IMP_RELEASE
157 IMP_SILENT = _IMP_kernel.IMP_SILENT
159 IMP_PROGRESS = _IMP_kernel.IMP_PROGRESS
161 IMP_TERSE = _IMP_kernel.IMP_TERSE
163 IMP_VERBOSE = _IMP_kernel.IMP_VERBOSE
165 IMP_MEMORY = _IMP_kernel.IMP_MEMORY
167 IMP_NONE = _IMP_kernel.IMP_NONE
169 IMP_USAGE = _IMP_kernel.IMP_USAGE
171 IMP_INTERNAL = _IMP_kernel.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_kernel.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_kernel.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_kernel.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_kernel.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_kernel.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_kernel.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_kernel.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_kernel.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 DEFAULT_CHECK = _IMP_kernel.DEFAULT_CHECK
226 NONE = _IMP_kernel.NONE
228 USAGE = _IMP_kernel.USAGE
230 USAGE_AND_INTERNAL = _IMP_kernel.USAGE_AND_INTERNAL
234 r"""set_check_level(IMP::CheckLevel tf)"""
235 return _IMP_kernel.set_check_level(tf)
238 r"""get_check_level() -> IMP::CheckLevel"""
239 return _IMP_kernel.get_check_level()
241 from _IMP_kernel
import Exception, InternalException, ModelException, EventException
242 from _IMP_kernel
import UsageException, IndexException, IOException, ValueException
243 from _IMP_kernel
import TypeException
245 class _ostream(object):
246 r"""Proxy of C++ std::ostream class."""
248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
250 def __init__(self, *args, **kwargs):
251 raise AttributeError(
"No constructor defined")
252 __repr__ = _swig_repr
254 def write(self, osa_buf):
255 r"""write(_ostream self, char const * osa_buf)"""
256 return _IMP_kernel._ostream_write(self, osa_buf)
259 _IMP_kernel._ostream_swigregister(_ostream)
260 IMP_C_OPEN_BINARY = _IMP_kernel.IMP_C_OPEN_BINARY
263 from .
import _list_util
266 _models_set = weakref.WeakSet()
268 def _models_set_get(m):
269 for x
in _models_set:
274 _raii_types.append(
"SetLogState")
277 _raii_types.append(
"SetNumberOfThreads")
280 _raii_types.append(
"SetCheckState")
283 _object_types.append(
"Object")
286 def _object_cast_to_Object(o):
287 r"""_object_cast_to_Object(Object * o) -> Object"""
288 return _IMP_kernel._object_cast_to_Object(o)
290 _object_types.append(
"_TestObject")
293 def _object_cast_to__TestObject(o):
294 r"""_object_cast_to__TestObject(Object * o) -> _TestObject"""
295 return _IMP_kernel._object_cast_to__TestObject(o)
298 _plural_types.append(
"VersionInfos")
299 _value_types.append(
"VersionInfo")
302 _raii_types.append(
"CreateLogContext")
305 _raii_types.append(
"WarningContext")
308 _raii_types.append(
"SetLogTarget")
312 _plural_types.append(
"_TestValues")
313 _value_types.append(
"_TestValue")
317 _plural_types.append(
"Floats")
318 _value_types.append(
"Float")
322 _plural_types.append(
"Ints")
323 _value_types.append(
"Int")
327 _plural_types.append(
"Strings")
328 _value_types.append(
"String")
332 _plural_types.append(
"_Protections")
333 _value_types.append(
"_Protection")
335 class _GeometricPrimitive1D(object):
336 r"""Proxy of C++ IMP::GeometricPrimitiveD< 1 > class."""
338 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
340 def __init__(self, *args, **kwargs):
341 raise AttributeError(
"No constructor defined")
342 __repr__ = _swig_repr
343 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive1D
346 _IMP_kernel._GeometricPrimitive1D_swigregister(_GeometricPrimitive1D)
347 class _GeometricPrimitive2D(object):
348 r"""Proxy of C++ IMP::GeometricPrimitiveD< 2 > class."""
350 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
352 def __init__(self, *args, **kwargs):
353 raise AttributeError(
"No constructor defined")
354 __repr__ = _swig_repr
355 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive2D
358 _IMP_kernel._GeometricPrimitive2D_swigregister(_GeometricPrimitive2D)
359 class _GeometricPrimitive3D(object):
360 r"""Proxy of C++ IMP::GeometricPrimitiveD< 3 > class."""
362 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
364 def __init__(self, *args, **kwargs):
365 raise AttributeError(
"No constructor defined")
366 __repr__ = _swig_repr
367 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive3D
370 _IMP_kernel._GeometricPrimitive3D_swigregister(_GeometricPrimitive3D)
371 class _GeometricPrimitive4D(object):
372 r"""Proxy of C++ IMP::GeometricPrimitiveD< 4 > class."""
374 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
376 def __init__(self, *args, **kwargs):
377 raise AttributeError(
"No constructor defined")
378 __repr__ = _swig_repr
379 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive4D
382 _IMP_kernel._GeometricPrimitive4D_swigregister(_GeometricPrimitive4D)
383 class _GeometricPrimitive5D(object):
384 r"""Proxy of C++ IMP::GeometricPrimitiveD< 5 > class."""
386 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
388 def __init__(self, *args, **kwargs):
389 raise AttributeError(
"No constructor defined")
390 __repr__ = _swig_repr
391 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive5D
394 _IMP_kernel._GeometricPrimitive5D_swigregister(_GeometricPrimitive5D)
395 class _GeometricPrimitive6D(object):
396 r"""Proxy of C++ IMP::GeometricPrimitiveD< 6 > class."""
398 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
400 def __init__(self, *args, **kwargs):
401 raise AttributeError(
"No constructor defined")
402 __repr__ = _swig_repr
403 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive6D
406 _IMP_kernel._GeometricPrimitive6D_swigregister(_GeometricPrimitive6D)
407 class _GeometricPrimitiveKD(object):
408 r"""Proxy of C++ IMP::GeometricPrimitiveD< -1 > class."""
410 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
412 def __init__(self, *args, **kwargs):
413 raise AttributeError(
"No constructor defined")
414 __repr__ = _swig_repr
415 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitiveKD
418 _IMP_kernel._GeometricPrimitiveKD_swigregister(_GeometricPrimitiveKD)
419 class _VectorBaseKD(_GeometricPrimitiveKD):
420 r"""Proxy of C++ IMP::internal::VectorBaseD< -1 > class."""
422 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
423 __repr__ = _swig_repr
426 r"""__init__(_VectorBaseKD self) -> _VectorBaseKD"""
427 _IMP_kernel._VectorBaseKD_swiginit(self, _IMP_kernel.new__VectorBaseKD())
429 def get_scalar_product(self, o):
430 r"""get_scalar_product(_VectorBaseKD self, _VectorBaseKD o) -> double"""
431 return _IMP_kernel._VectorBaseKD_get_scalar_product(self, o)
433 def get_squared_magnitude(self):
434 r"""get_squared_magnitude(_VectorBaseKD self) -> double"""
435 return _IMP_kernel._VectorBaseKD_get_squared_magnitude(self)
437 def get_magnitude(self):
438 r"""get_magnitude(_VectorBaseKD self) -> double"""
439 return _IMP_kernel._VectorBaseKD_get_magnitude(self)
442 r"""get_distance(_VectorBaseKD self, _VectorBaseKD o) -> double"""
443 return _IMP_kernel._VectorBaseKD_get_distance(self, o)
445 def __mul__(self, o):
446 r"""__mul__(_VectorBaseKD self, _VectorBaseKD o) -> double"""
447 return _IMP_kernel._VectorBaseKD___mul__(self, o)
449 def __iadd__(self, o):
450 r"""__iadd__(_VectorBaseKD self, _VectorBaseKD o) -> _VectorBaseKD"""
451 return _IMP_kernel._VectorBaseKD___iadd__(self, o)
453 def __isub__(self, o):
454 r"""__isub__(_VectorBaseKD self, _VectorBaseKD o) -> _VectorBaseKD"""
455 return _IMP_kernel._VectorBaseKD___isub__(self, o)
457 def __itruediv__(self, *args):
458 return _IMP_kernel._VectorBaseKD___itruediv__(self, *args)
459 __idiv__ = __itruediv__
463 def __imul__(self, f):
464 r"""__imul__(_VectorBaseKD self, double f) -> _VectorBaseKD"""
465 return _IMP_kernel._VectorBaseKD___imul__(self, f)
467 def show(self, *args):
469 show(_VectorBaseKD self, _ostream out, std::string delim, bool parens=True)
470 show(_VectorBaseKD self, _ostream out=std::cout)
472 return _IMP_kernel._VectorBaseKD_show(self, *args)
474 def get_dimension(self):
475 r"""get_dimension(_VectorBaseKD self) -> unsigned int"""
476 return _IMP_kernel._VectorBaseKD_get_dimension(self)
477 __swig_destroy__ = _IMP_kernel.delete__VectorBaseKD
480 _IMP_kernel._VectorBaseKD_swigregister(_VectorBaseKD)
481 class _VectorBase1D(_GeometricPrimitive1D):
482 r"""Proxy of C++ IMP::internal::VectorBaseD< 1 > class."""
484 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
485 __repr__ = _swig_repr
488 r"""__init__(_VectorBase1D self) -> _VectorBase1D"""
489 _IMP_kernel._VectorBase1D_swiginit(self, _IMP_kernel.new__VectorBase1D())
491 def get_scalar_product(self, o):
492 r"""get_scalar_product(_VectorBase1D self, _VectorBase1D o) -> double"""
493 return _IMP_kernel._VectorBase1D_get_scalar_product(self, o)
495 def get_squared_magnitude(self):
496 r"""get_squared_magnitude(_VectorBase1D self) -> double"""
497 return _IMP_kernel._VectorBase1D_get_squared_magnitude(self)
499 def get_magnitude(self):
500 r"""get_magnitude(_VectorBase1D self) -> double"""
501 return _IMP_kernel._VectorBase1D_get_magnitude(self)
504 r"""get_distance(_VectorBase1D self, _VectorBase1D o) -> double"""
505 return _IMP_kernel._VectorBase1D_get_distance(self, o)
507 def __mul__(self, o):
508 r"""__mul__(_VectorBase1D self, _VectorBase1D o) -> double"""
509 return _IMP_kernel._VectorBase1D___mul__(self, o)
511 def __iadd__(self, o):
512 r"""__iadd__(_VectorBase1D self, _VectorBase1D o) -> _VectorBase1D"""
513 return _IMP_kernel._VectorBase1D___iadd__(self, o)
515 def __isub__(self, o):
516 r"""__isub__(_VectorBase1D self, _VectorBase1D o) -> _VectorBase1D"""
517 return _IMP_kernel._VectorBase1D___isub__(self, o)
519 def __itruediv__(self, *args):
520 return _IMP_kernel._VectorBase1D___itruediv__(self, *args)
521 __idiv__ = __itruediv__
525 def __imul__(self, f):
526 r"""__imul__(_VectorBase1D self, double f) -> _VectorBase1D"""
527 return _IMP_kernel._VectorBase1D___imul__(self, f)
529 def show(self, *args):
531 show(_VectorBase1D self, _ostream out, std::string delim, bool parens=True)
532 show(_VectorBase1D self, _ostream out=std::cout)
534 return _IMP_kernel._VectorBase1D_show(self, *args)
536 def get_dimension(self):
537 r"""get_dimension(_VectorBase1D self) -> unsigned int"""
538 return _IMP_kernel._VectorBase1D_get_dimension(self)
539 __swig_destroy__ = _IMP_kernel.delete__VectorBase1D
542 _IMP_kernel._VectorBase1D_swigregister(_VectorBase1D)
543 class _VectorBase2D(_GeometricPrimitive2D):
544 r"""Proxy of C++ IMP::internal::VectorBaseD< 2 > class."""
546 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
547 __repr__ = _swig_repr
550 r"""__init__(_VectorBase2D self) -> _VectorBase2D"""
551 _IMP_kernel._VectorBase2D_swiginit(self, _IMP_kernel.new__VectorBase2D())
553 def get_scalar_product(self, o):
554 r"""get_scalar_product(_VectorBase2D self, _VectorBase2D o) -> double"""
555 return _IMP_kernel._VectorBase2D_get_scalar_product(self, o)
557 def get_squared_magnitude(self):
558 r"""get_squared_magnitude(_VectorBase2D self) -> double"""
559 return _IMP_kernel._VectorBase2D_get_squared_magnitude(self)
561 def get_magnitude(self):
562 r"""get_magnitude(_VectorBase2D self) -> double"""
563 return _IMP_kernel._VectorBase2D_get_magnitude(self)
566 r"""get_distance(_VectorBase2D self, _VectorBase2D o) -> double"""
567 return _IMP_kernel._VectorBase2D_get_distance(self, o)
569 def __mul__(self, o):
570 r"""__mul__(_VectorBase2D self, _VectorBase2D o) -> double"""
571 return _IMP_kernel._VectorBase2D___mul__(self, o)
573 def __iadd__(self, o):
574 r"""__iadd__(_VectorBase2D self, _VectorBase2D o) -> _VectorBase2D"""
575 return _IMP_kernel._VectorBase2D___iadd__(self, o)
577 def __isub__(self, o):
578 r"""__isub__(_VectorBase2D self, _VectorBase2D o) -> _VectorBase2D"""
579 return _IMP_kernel._VectorBase2D___isub__(self, o)
581 def __itruediv__(self, *args):
582 return _IMP_kernel._VectorBase2D___itruediv__(self, *args)
583 __idiv__ = __itruediv__
587 def __imul__(self, f):
588 r"""__imul__(_VectorBase2D self, double f) -> _VectorBase2D"""
589 return _IMP_kernel._VectorBase2D___imul__(self, f)
591 def show(self, *args):
593 show(_VectorBase2D self, _ostream out, std::string delim, bool parens=True)
594 show(_VectorBase2D self, _ostream out=std::cout)
596 return _IMP_kernel._VectorBase2D_show(self, *args)
598 def get_dimension(self):
599 r"""get_dimension(_VectorBase2D self) -> unsigned int"""
600 return _IMP_kernel._VectorBase2D_get_dimension(self)
601 __swig_destroy__ = _IMP_kernel.delete__VectorBase2D
604 _IMP_kernel._VectorBase2D_swigregister(_VectorBase2D)
605 class _VectorBase3D(_GeometricPrimitive3D):
606 r"""Proxy of C++ IMP::internal::VectorBaseD< 3 > class."""
608 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
609 __repr__ = _swig_repr
612 r"""__init__(_VectorBase3D self) -> _VectorBase3D"""
613 _IMP_kernel._VectorBase3D_swiginit(self, _IMP_kernel.new__VectorBase3D())
615 def get_scalar_product(self, o):
616 r"""get_scalar_product(_VectorBase3D self, _VectorBase3D o) -> double"""
617 return _IMP_kernel._VectorBase3D_get_scalar_product(self, o)
619 def get_squared_magnitude(self):
620 r"""get_squared_magnitude(_VectorBase3D self) -> double"""
621 return _IMP_kernel._VectorBase3D_get_squared_magnitude(self)
623 def get_magnitude(self):
624 r"""get_magnitude(_VectorBase3D self) -> double"""
625 return _IMP_kernel._VectorBase3D_get_magnitude(self)
628 r"""get_distance(_VectorBase3D self, _VectorBase3D o) -> double"""
629 return _IMP_kernel._VectorBase3D_get_distance(self, o)
631 def __mul__(self, o):
632 r"""__mul__(_VectorBase3D self, _VectorBase3D o) -> double"""
633 return _IMP_kernel._VectorBase3D___mul__(self, o)
635 def __iadd__(self, o):
636 r"""__iadd__(_VectorBase3D self, _VectorBase3D o) -> _VectorBase3D"""
637 return _IMP_kernel._VectorBase3D___iadd__(self, o)
639 def __isub__(self, o):
640 r"""__isub__(_VectorBase3D self, _VectorBase3D o) -> _VectorBase3D"""
641 return _IMP_kernel._VectorBase3D___isub__(self, o)
643 def __itruediv__(self, *args):
644 return _IMP_kernel._VectorBase3D___itruediv__(self, *args)
645 __idiv__ = __itruediv__
649 def __imul__(self, f):
650 r"""__imul__(_VectorBase3D self, double f) -> _VectorBase3D"""
651 return _IMP_kernel._VectorBase3D___imul__(self, f)
653 def show(self, *args):
655 show(_VectorBase3D self, _ostream out, std::string delim, bool parens=True)
656 show(_VectorBase3D self, _ostream out=std::cout)
658 return _IMP_kernel._VectorBase3D_show(self, *args)
660 def get_dimension(self):
661 r"""get_dimension(_VectorBase3D self) -> unsigned int"""
662 return _IMP_kernel._VectorBase3D_get_dimension(self)
663 __swig_destroy__ = _IMP_kernel.delete__VectorBase3D
666 _IMP_kernel._VectorBase3D_swigregister(_VectorBase3D)
667 class _VectorBase4D(_GeometricPrimitive4D):
668 r"""Proxy of C++ IMP::internal::VectorBaseD< 4 > class."""
670 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
671 __repr__ = _swig_repr
674 r"""__init__(_VectorBase4D self) -> _VectorBase4D"""
675 _IMP_kernel._VectorBase4D_swiginit(self, _IMP_kernel.new__VectorBase4D())
677 def get_scalar_product(self, o):
678 r"""get_scalar_product(_VectorBase4D self, _VectorBase4D o) -> double"""
679 return _IMP_kernel._VectorBase4D_get_scalar_product(self, o)
681 def get_squared_magnitude(self):
682 r"""get_squared_magnitude(_VectorBase4D self) -> double"""
683 return _IMP_kernel._VectorBase4D_get_squared_magnitude(self)
685 def get_magnitude(self):
686 r"""get_magnitude(_VectorBase4D self) -> double"""
687 return _IMP_kernel._VectorBase4D_get_magnitude(self)
690 r"""get_distance(_VectorBase4D self, _VectorBase4D o) -> double"""
691 return _IMP_kernel._VectorBase4D_get_distance(self, o)
693 def __mul__(self, o):
694 r"""__mul__(_VectorBase4D self, _VectorBase4D o) -> double"""
695 return _IMP_kernel._VectorBase4D___mul__(self, o)
697 def __iadd__(self, o):
698 r"""__iadd__(_VectorBase4D self, _VectorBase4D o) -> _VectorBase4D"""
699 return _IMP_kernel._VectorBase4D___iadd__(self, o)
701 def __isub__(self, o):
702 r"""__isub__(_VectorBase4D self, _VectorBase4D o) -> _VectorBase4D"""
703 return _IMP_kernel._VectorBase4D___isub__(self, o)
705 def __itruediv__(self, *args):
706 return _IMP_kernel._VectorBase4D___itruediv__(self, *args)
707 __idiv__ = __itruediv__
711 def __imul__(self, f):
712 r"""__imul__(_VectorBase4D self, double f) -> _VectorBase4D"""
713 return _IMP_kernel._VectorBase4D___imul__(self, f)
715 def show(self, *args):
717 show(_VectorBase4D self, _ostream out, std::string delim, bool parens=True)
718 show(_VectorBase4D self, _ostream out=std::cout)
720 return _IMP_kernel._VectorBase4D_show(self, *args)
722 def get_dimension(self):
723 r"""get_dimension(_VectorBase4D self) -> unsigned int"""
724 return _IMP_kernel._VectorBase4D_get_dimension(self)
725 __swig_destroy__ = _IMP_kernel.delete__VectorBase4D
728 _IMP_kernel._VectorBase4D_swigregister(_VectorBase4D)
729 class _VectorBase5D(_GeometricPrimitive5D):
730 r"""Proxy of C++ IMP::internal::VectorBaseD< 5 > class."""
732 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
733 __repr__ = _swig_repr
736 r"""__init__(_VectorBase5D self) -> _VectorBase5D"""
737 _IMP_kernel._VectorBase5D_swiginit(self, _IMP_kernel.new__VectorBase5D())
739 def get_scalar_product(self, o):
740 r"""get_scalar_product(_VectorBase5D self, _VectorBase5D o) -> double"""
741 return _IMP_kernel._VectorBase5D_get_scalar_product(self, o)
743 def get_squared_magnitude(self):
744 r"""get_squared_magnitude(_VectorBase5D self) -> double"""
745 return _IMP_kernel._VectorBase5D_get_squared_magnitude(self)
747 def get_magnitude(self):
748 r"""get_magnitude(_VectorBase5D self) -> double"""
749 return _IMP_kernel._VectorBase5D_get_magnitude(self)
752 r"""get_distance(_VectorBase5D self, _VectorBase5D o) -> double"""
753 return _IMP_kernel._VectorBase5D_get_distance(self, o)
755 def __mul__(self, o):
756 r"""__mul__(_VectorBase5D self, _VectorBase5D o) -> double"""
757 return _IMP_kernel._VectorBase5D___mul__(self, o)
759 def __iadd__(self, o):
760 r"""__iadd__(_VectorBase5D self, _VectorBase5D o) -> _VectorBase5D"""
761 return _IMP_kernel._VectorBase5D___iadd__(self, o)
763 def __isub__(self, o):
764 r"""__isub__(_VectorBase5D self, _VectorBase5D o) -> _VectorBase5D"""
765 return _IMP_kernel._VectorBase5D___isub__(self, o)
767 def __itruediv__(self, *args):
768 return _IMP_kernel._VectorBase5D___itruediv__(self, *args)
769 __idiv__ = __itruediv__
773 def __imul__(self, f):
774 r"""__imul__(_VectorBase5D self, double f) -> _VectorBase5D"""
775 return _IMP_kernel._VectorBase5D___imul__(self, f)
777 def show(self, *args):
779 show(_VectorBase5D self, _ostream out, std::string delim, bool parens=True)
780 show(_VectorBase5D self, _ostream out=std::cout)
782 return _IMP_kernel._VectorBase5D_show(self, *args)
784 def get_dimension(self):
785 r"""get_dimension(_VectorBase5D self) -> unsigned int"""
786 return _IMP_kernel._VectorBase5D_get_dimension(self)
787 __swig_destroy__ = _IMP_kernel.delete__VectorBase5D
790 _IMP_kernel._VectorBase5D_swigregister(_VectorBase5D)
791 class _VectorBase6D(_GeometricPrimitive6D):
792 r"""Proxy of C++ IMP::internal::VectorBaseD< 6 > class."""
794 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
795 __repr__ = _swig_repr
798 r"""__init__(_VectorBase6D self) -> _VectorBase6D"""
799 _IMP_kernel._VectorBase6D_swiginit(self, _IMP_kernel.new__VectorBase6D())
801 def get_scalar_product(self, o):
802 r"""get_scalar_product(_VectorBase6D self, _VectorBase6D o) -> double"""
803 return _IMP_kernel._VectorBase6D_get_scalar_product(self, o)
805 def get_squared_magnitude(self):
806 r"""get_squared_magnitude(_VectorBase6D self) -> double"""
807 return _IMP_kernel._VectorBase6D_get_squared_magnitude(self)
809 def get_magnitude(self):
810 r"""get_magnitude(_VectorBase6D self) -> double"""
811 return _IMP_kernel._VectorBase6D_get_magnitude(self)
814 r"""get_distance(_VectorBase6D self, _VectorBase6D o) -> double"""
815 return _IMP_kernel._VectorBase6D_get_distance(self, o)
817 def __mul__(self, o):
818 r"""__mul__(_VectorBase6D self, _VectorBase6D o) -> double"""
819 return _IMP_kernel._VectorBase6D___mul__(self, o)
821 def __iadd__(self, o):
822 r"""__iadd__(_VectorBase6D self, _VectorBase6D o) -> _VectorBase6D"""
823 return _IMP_kernel._VectorBase6D___iadd__(self, o)
825 def __isub__(self, o):
826 r"""__isub__(_VectorBase6D self, _VectorBase6D o) -> _VectorBase6D"""
827 return _IMP_kernel._VectorBase6D___isub__(self, o)
829 def __itruediv__(self, *args):
830 return _IMP_kernel._VectorBase6D___itruediv__(self, *args)
831 __idiv__ = __itruediv__
835 def __imul__(self, f):
836 r"""__imul__(_VectorBase6D self, double f) -> _VectorBase6D"""
837 return _IMP_kernel._VectorBase6D___imul__(self, f)
839 def show(self, *args):
841 show(_VectorBase6D self, _ostream out, std::string delim, bool parens=True)
842 show(_VectorBase6D self, _ostream out=std::cout)
844 return _IMP_kernel._VectorBase6D_show(self, *args)
846 def get_dimension(self):
847 r"""get_dimension(_VectorBase6D self) -> unsigned int"""
848 return _IMP_kernel._VectorBase6D_get_dimension(self)
849 __swig_destroy__ = _IMP_kernel.delete__VectorBase6D
852 _IMP_kernel._VectorBase6D_swigregister(_VectorBase6D)
853 class _InputAdaptor(object):
854 r"""Proxy of C++ IMP::InputAdaptor class."""
856 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
858 def __init__(self, *args, **kwargs):
859 raise AttributeError(
"No constructor defined")
860 __repr__ = _swig_repr
862 def __getstate__(self):
863 raise NotImplementedError(str(self.__class__)
864 +
" does not support serialization")
866 __swig_destroy__ = _IMP_kernel.delete__InputAdaptor
869 _IMP_kernel._InputAdaptor_swigregister(_InputAdaptor)
870 class _NonCopyable(object):
871 r"""Proxy of C++ IMP::NonCopyable class."""
873 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
875 def __init__(self, *args, **kwargs):
876 raise AttributeError(
"No constructor defined")
877 __repr__ = _swig_repr
878 __swig_destroy__ = _IMP_kernel.delete__NonCopyable
881 _IMP_kernel._NonCopyable_swigregister(_NonCopyable)
882 class _RAII(_NonCopyable):
883 r"""Proxy of C++ IMP::RAII class."""
885 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
887 def __init__(self, *args, **kwargs):
888 raise AttributeError(
"No constructor defined")
889 __repr__ = _swig_repr
890 __swig_destroy__ = _IMP_kernel.delete__RAII
893 _IMP_kernel._RAII_swigregister(_RAII)
894 class _Value(object):
895 r"""Proxy of C++ IMP::Value class."""
897 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
899 def __init__(self, *args, **kwargs):
900 raise AttributeError(
"No constructor defined")
901 __repr__ = _swig_repr
903 def __getstate__(self):
904 raise NotImplementedError(str(self.__class__)
905 +
" does not support serialization")
907 __swig_destroy__ = _IMP_kernel.delete__Value
910 _IMP_kernel._Value_swigregister(_Value)
913 r"""get_executable_name() -> std::string"""
914 return _IMP_kernel.get_executable_name()
918 setup_from_argv(IMP::Strings const & argv, std::string description)
919 setup_from_argv(IMP::Strings const & argv, std::string description, std::string positional_description, int num_positional) -> IMP::Strings
921 return _IMP_kernel.setup_from_argv(*args)
924 r"""add_string_flag(std::string name, std::string default_value, std::string description)"""
925 return _IMP_kernel.add_string_flag(name, default_value, description)
928 r"""get_string_flag(std::string name) -> std::string"""
929 return _IMP_kernel.get_string_flag(name)
932 r"""add_int_flag(std::string name, size_t default_value, std::string description)"""
933 return _IMP_kernel.add_int_flag(name, default_value, description)
936 r"""get_int_flag(std::string name) -> size_t"""
937 return _IMP_kernel.get_int_flag(name)
940 r"""add_bool_flag(std::string name, std::string description)"""
941 return _IMP_kernel.add_bool_flag(name, description)
944 r"""get_bool_flag(std::string name) -> bool"""
945 return _IMP_kernel.get_bool_flag(name)
948 r"""add_float_flag(std::string name, double default_value, std::string description)"""
949 return _IMP_kernel.add_float_flag(name, default_value, description)
952 r"""get_float_flag(std::string name) -> double"""
953 return _IMP_kernel.get_float_flag(name)
956 r"""write_help(_ostream out=std::cerr)"""
957 return _IMP_kernel.write_help(*args)
960 r"""get_is_quick_test() -> bool"""
961 return _IMP_kernel.get_is_quick_test()
962 DEFAULT = _IMP_kernel.DEFAULT
964 SILENT = _IMP_kernel.SILENT
966 WARNING = _IMP_kernel.WARNING
968 PROGRESS = _IMP_kernel.PROGRESS
970 TERSE = _IMP_kernel.TERSE
972 VERBOSE = _IMP_kernel.VERBOSE
974 MEMORY = _IMP_kernel.MEMORY
976 ALL_LOG = _IMP_kernel.ALL_LOG
978 class VersionInfo(_Value):
979 r"""Proxy of C++ IMP::VersionInfo class."""
981 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
983 def __init__(self, *args):
985 __init__(VersionInfo self, std::string module, std::string version) -> VersionInfo
986 __init__(VersionInfo self) -> VersionInfo
988 _IMP_kernel.VersionInfo_swiginit(self, _IMP_kernel.new_VersionInfo(*args))
990 def get_module(self):
991 r"""get_module(VersionInfo self) -> std::string"""
992 return _IMP_kernel.VersionInfo_get_module(self)
994 def get_version(self):
995 r"""get_version(VersionInfo self) -> std::string"""
996 return _IMP_kernel.VersionInfo_get_version(self)
998 def show(self, *args):
999 r"""show(VersionInfo self, _ostream out=std::cout)"""
1000 return _IMP_kernel.VersionInfo_show(self, *args)
1002 def __cmp__(self, o):
1003 r"""__cmp__(VersionInfo self, VersionInfo o) -> int"""
1004 return _IMP_kernel.VersionInfo___cmp__(self, o)
1006 def __eq__(self, o):
1007 r"""__eq__(VersionInfo self, VersionInfo o) -> bool"""
1008 return _IMP_kernel.VersionInfo___eq__(self, o)
1010 def __ne__(self, o):
1011 r"""__ne__(VersionInfo self, VersionInfo o) -> bool"""
1012 return _IMP_kernel.VersionInfo___ne__(self, o)
1014 def __lt__(self, o):
1015 r"""__lt__(VersionInfo self, VersionInfo o) -> bool"""
1016 return _IMP_kernel.VersionInfo___lt__(self, o)
1018 def __gt__(self, o):
1019 r"""__gt__(VersionInfo self, VersionInfo o) -> bool"""
1020 return _IMP_kernel.VersionInfo___gt__(self, o)
1022 def __ge__(self, o):
1023 r"""__ge__(VersionInfo self, VersionInfo o) -> bool"""
1024 return _IMP_kernel.VersionInfo___ge__(self, o)
1026 def __le__(self, o):
1027 r"""__le__(VersionInfo self, VersionInfo o) -> bool"""
1028 return _IMP_kernel.VersionInfo___le__(self, o)
1031 r"""__str__(VersionInfo self) -> std::string"""
1032 return _IMP_kernel.VersionInfo___str__(self)
1035 r"""__repr__(VersionInfo self) -> std::string"""
1036 return _IMP_kernel.VersionInfo___repr__(self)
1038 def _get_as_binary(self):
1039 r"""_get_as_binary(VersionInfo self) -> PyObject *"""
1040 return _IMP_kernel.VersionInfo__get_as_binary(self)
1042 def _set_from_binary(self, p):
1043 r"""_set_from_binary(VersionInfo self, PyObject * p)"""
1044 return _IMP_kernel.VersionInfo__set_from_binary(self, p)
1046 def __getstate__(self):
1047 p = self._get_as_binary()
1048 if len(self.__dict__) > 1:
1049 d = self.__dict__.copy()
1054 def __setstate__(self, p):
1055 if not hasattr(self,
'this'):
1057 if isinstance(p, tuple):
1059 self.__dict__.update(d)
1060 return self._set_from_binary(p)
1062 __swig_destroy__ = _IMP_kernel.delete_VersionInfo
1065 _IMP_kernel.VersionInfo_swigregister(VersionInfo)
1066 class TextOutput(_InputAdaptor):
1067 r"""Proxy of C++ IMP::TextOutput class."""
1069 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1070 __repr__ = _swig_repr
1072 def __init__(self, *args):
1074 __init__(TextOutput self, int arg2) -> TextOutput
1075 __init__(TextOutput self, double arg2) -> TextOutput
1076 __init__(TextOutput self, char const * c, bool append=False) -> TextOutput
1077 __init__(TextOutput self, IMP::TextProxy< std::ostream > p) -> TextOutput
1078 __init__(TextOutput self) -> TextOutput
1079 __init__(TextOutput self, std::string file_name, bool append=False) -> TextOutput
1081 _IMP_kernel.TextOutput_swiginit(self, _IMP_kernel.new_TextOutput(*args))
1083 def show(self, *args):
1084 r"""show(TextOutput self, _ostream out=std::cout)"""
1085 return _IMP_kernel.TextOutput_show(self, *args)
1088 r"""get_name(TextOutput self) -> std::string"""
1089 return _IMP_kernel.TextOutput_get_name(self)
1090 __swig_destroy__ = _IMP_kernel.delete_TextOutput
1093 _IMP_kernel.TextOutput_swigregister(TextOutput)
1094 class TextInput(_InputAdaptor):
1095 r"""Proxy of C++ IMP::TextInput class."""
1097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1098 __repr__ = _swig_repr
1100 def __init__(self, *args):
1102 __init__(TextInput self, int arg2) -> TextInput
1103 __init__(TextInput self, double arg2) -> TextInput
1104 __init__(TextInput self, char const * c) -> TextInput
1105 __init__(TextInput self, IMP::TextProxy< std::istream > p) -> TextInput
1106 __init__(TextInput self) -> TextInput
1107 __init__(TextInput self, std::string file_name) -> TextInput
1109 _IMP_kernel.TextInput_swiginit(self, _IMP_kernel.new_TextInput(*args))
1111 def show(self, *args):
1112 r"""show(TextInput self, _ostream out=std::cout)"""
1113 return _IMP_kernel.TextInput_show(self, *args)
1116 r"""get_name(TextInput self) -> std::string"""
1117 return _IMP_kernel.TextInput_get_name(self)
1119 def set_binary_open_mode(self, binary):
1120 r"""set_binary_open_mode(TextInput self, bool binary)"""
1121 return _IMP_kernel.TextInput_set_binary_open_mode(self, binary)
1122 __swig_destroy__ = _IMP_kernel.delete_TextInput
1125 _IMP_kernel.TextInput_swigregister(TextInput)
1126 class SetLogTarget(_RAII):
1127 r"""Proxy of C++ IMP::SetLogTarget class."""
1129 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1131 def __init__(self, *args):
1133 __init__(SetLogTarget self) -> SetLogTarget
1134 __init__(SetLogTarget self, TextOutput to) -> SetLogTarget
1136 _IMP_kernel.SetLogTarget_swiginit(self, _IMP_kernel.new_SetLogTarget(*args))
1139 r"""set(SetLogTarget self, TextOutput to)"""
1140 return _IMP_kernel.SetLogTarget_set(self, to)
1143 r"""reset(SetLogTarget self)"""
1144 return _IMP_kernel.SetLogTarget_reset(self)
1145 __swig_destroy__ = _IMP_kernel.delete_SetLogTarget
1147 def show(self, *args):
1148 r"""show(SetLogTarget self, _ostream out=std::cout)"""
1149 return _IMP_kernel.SetLogTarget_show(self, *args)
1151 def __enter__(self):
1153 def __exit__(self, exc_type, exc_val, exc_tb):
1159 r"""__str__(SetLogTarget self) -> std::string"""
1160 return _IMP_kernel.SetLogTarget___str__(self)
1163 r"""__repr__(SetLogTarget self) -> std::string"""
1164 return _IMP_kernel.SetLogTarget___repr__(self)
1167 _IMP_kernel.SetLogTarget_swigregister(SetLogTarget)
1170 r"""create_temporary_file(std::string prefix="imp_temp", std::string suffix="") -> TextOutput"""
1171 return _IMP_kernel.create_temporary_file(*args)
1174 r"""create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="") -> std::string"""
1175 return _IMP_kernel.create_temporary_file_name(*args)
1178 r"""get_relative_path(std::string base, std::string relative) -> std::string"""
1179 return _IMP_kernel.get_relative_path(base, relative)
1182 r"""get_absolute_path(std::string file) -> std::string"""
1183 return _IMP_kernel.get_absolute_path(file)
1185 def push_log_context(functionname, object):
1186 r"""push_log_context(char const * functionname, void const * object)"""
1187 return _IMP_kernel.push_log_context(functionname, object)
1189 def pop_log_context():
1190 r"""pop_log_context()"""
1191 return _IMP_kernel.pop_log_context()
1195 add_to_log(std::string to_write)
1196 add_to_log(IMP::LogLevel level, std::string to_write)
1198 return _IMP_kernel.add_to_log(*args)
1201 r"""set_log_level(IMP::LogLevel l)"""
1202 return _IMP_kernel.set_log_level(l)
1205 r"""set_log_timer(bool tb)"""
1206 return _IMP_kernel.set_log_timer(tb)
1209 r"""reset_log_timer()"""
1210 return _IMP_kernel.reset_log_timer()
1213 r"""get_log_level() -> IMP::LogLevel"""
1214 return _IMP_kernel.get_log_level()
1217 r"""set_progress_display(std::string description, unsigned int steps)"""
1218 return _IMP_kernel.set_progress_display(description, steps)
1221 r"""add_to_progress_display(unsigned int step=1)"""
1222 return _IMP_kernel.add_to_progress_display(step)
1223 class Object(_NonCopyable):
1224 r"""Proxy of C++ IMP::Object class."""
1226 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1228 def __init__(self, name):
1229 r"""__init__(Object self, std::string name) -> Object"""
1230 if self.__class__ == Object:
1234 _IMP_kernel.Object_swiginit(self, _IMP_kernel.new_Object(_self, name))
1236 if self.__class__ != Object:
1237 _director_objects.register(self)
1241 __swig_destroy__ = _IMP_kernel.delete_Object
1244 r"""__hash__(Object self) -> std::size_t"""
1245 return _IMP_kernel.Object___hash__(self)
1248 r"""set_log_level(Object self, IMP::LogLevel l)"""
1249 return _IMP_kernel.Object_set_log_level(self, l)
1252 r"""set_check_level(Object self, IMP::CheckLevel l)"""
1253 return _IMP_kernel.Object_set_check_level(self, l)
1256 r"""get_log_level(Object self) -> IMP::LogLevel"""
1257 return _IMP_kernel.Object_get_log_level(self)
1260 r"""get_check_level(Object self) -> IMP::CheckLevel"""
1261 return _IMP_kernel.Object_get_check_level(self)
1263 def get_version_info(self):
1264 r"""get_version_info(Object self) -> VersionInfo"""
1265 val = _IMP_kernel.Object_get_version_info(self)
1266 if val.get_module() ==
'none':
1273 r"""get_name(Object self) -> std::string const &"""
1274 return _IMP_kernel.Object_get_name(self)
1276 def set_name(self, name):
1277 r"""set_name(Object self, std::string name)"""
1278 return _IMP_kernel.Object_set_name(self, name)
1280 def get_type_name(self):
1281 r"""get_type_name(Object self) -> std::string"""
1282 val = _IMP_kernel.Object_get_type_name(self)
1283 if val ==
'unknown object type':
1284 val = self.__class__.__name__
1287 def set_was_used(self, tf):
1288 r"""set_was_used(Object self, bool tf)"""
1289 return _IMP_kernel.Object_set_was_used(self, tf)
1291 def show(self, *args):
1292 r"""show(Object self, _ostream out=std::cout)"""
1293 return _IMP_kernel.Object_show(self, *args)
1295 def get_string(self):
1296 r"""get_string(Object self) -> std::string"""
1297 return _IMP_kernel.Object_get_string(self)
1299 def _on_destruction(self):
1300 r"""_on_destruction(Object self)"""
1301 return _IMP_kernel.Object__on_destruction(self)
1303 def get_is_valid(self):
1304 r"""get_is_valid(Object self) -> bool"""
1305 return _IMP_kernel.Object_get_is_valid(self)
1307 def get_ref_count(self):
1308 r"""get_ref_count(Object self) -> unsigned int"""
1309 return _IMP_kernel.Object_get_ref_count(self)
1312 def get_number_of_live_objects():
1313 r"""get_number_of_live_objects() -> unsigned int"""
1314 return _IMP_kernel.Object_get_number_of_live_objects()
1316 def get_is_shared(self):
1317 r"""get_is_shared(Object self) -> bool"""
1318 return _IMP_kernel.Object_get_is_shared(self)
1320 def clear_caches(self):
1321 r"""clear_caches(Object self)"""
1322 return _IMP_kernel.Object_clear_caches(self)
1324 def do_destroy(self):
1325 r"""do_destroy(Object self)"""
1326 return _IMP_kernel.Object_do_destroy(self)
1328 def __getstate__(self):
1329 raise NotImplementedError(str(self.__class__)
1330 +
" does not support serialization")
1333 def __eq__(self, o):
1334 r"""__eq__(Object self, Object o) -> bool"""
1335 return _IMP_kernel.Object___eq__(self, o)
1337 def __ne__(self, o):
1338 r"""__ne__(Object self, Object o) -> bool"""
1339 return _IMP_kernel.Object___ne__(self, o)
1341 def __le__(self, o):
1342 r"""__le__(Object self, Object o) -> bool"""
1343 return _IMP_kernel.Object___le__(self, o)
1345 def __lt__(self, o):
1346 r"""__lt__(Object self, Object o) -> bool"""
1347 return _IMP_kernel.Object___lt__(self, o)
1349 def __ge__(self, o):
1350 r"""__ge__(Object self, Object o) -> bool"""
1351 return _IMP_kernel.Object___ge__(self, o)
1353 def __gt__(self, o):
1354 r"""__gt__(Object self, Object o) -> bool"""
1355 return _IMP_kernel.Object___gt__(self, o)
1357 def _get_director_object(self):
1358 r"""_get_director_object(Object self) -> PyObject *"""
1359 return _IMP_kernel.Object__get_director_object(self)
1362 """Return this object cast to the most derived subclass."""
1364 pyobj = self._get_director_object()
1365 if pyobj
is not None:
1369 modname = self.get_version_info().get_module().replace(
'::',
'.')
1370 type_name = self.get_type_name()
1371 if (modname ==
'IMP.core'
1372 and type_name ==
'GenericBoundingBox3DSingletonScore'):
1373 type_name =
'BoundingBox3DSingletonScore'
1374 elif (modname ==
'IMP.core'
1375 and type_name ==
'GenericAttributeSingletonScore'):
1376 type_name =
'AttributeSingletonScore'
1377 elif (modname ==
'IMP.core'
1378 and type_name ==
'GenericBoundingSphere3DSingletonScore'):
1379 type_name =
'BoundingSphere3DSingletonScore'
1380 elif modname ==
'IMP' and type_name ==
'RestraintScoringFunction':
1384 elif modname ==
'IMP' and type_name ==
'GenericRestraintsScoringFunction':
1385 type_name =
'_RestraintsScoringFunction'
1386 modobj = sys.modules[modname]
1387 clsobj = getattr(modobj, type_name)
1388 return clsobj.get_from(self)
1392 r"""__str__(Object self) -> std::string"""
1393 return _IMP_kernel.Object___str__(self)
1396 r"""__repr__(Object self) -> std::string"""
1397 return _IMP_kernel.Object___repr__(self)
1401 return _object_cast_to_Object(o)
1403 def __disown__(self):
1405 _IMP_kernel.disown_Object(self)
1406 return weakref.proxy(self)
1409 _IMP_kernel.Object_swigregister(Object)
1410 class SetLogState(_RAII):
1411 r"""Proxy of C++ IMP::SetLogState class."""
1413 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1416 r"""reset(SetLogState self)"""
1417 return _IMP_kernel.SetLogState_reset(self)
1418 __swig_destroy__ = _IMP_kernel.delete_SetLogState
1420 def show(self, *args):
1421 r"""show(SetLogState self, _ostream out=std::cout)"""
1422 return _IMP_kernel.SetLogState_show(self, *args)
1424 def __init__(self, *args):
1426 __init__(SetLogState self) -> SetLogState
1427 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
1428 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
1430 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
1432 def set(self, *args):
1434 set(SetLogState self, Object o, IMP::LogLevel l)
1435 set(SetLogState self, IMP::LogLevel l)
1437 return _IMP_kernel.SetLogState_set(self, *args)
1439 def __enter__(self):
1441 def __exit__(self, exc_type, exc_val, exc_tb):
1447 r"""__str__(SetLogState self) -> std::string"""
1448 return _IMP_kernel.SetLogState___str__(self)
1451 r"""__repr__(SetLogState self) -> std::string"""
1452 return _IMP_kernel.SetLogState___repr__(self)
1455 _IMP_kernel.SetLogState_swigregister(SetLogState)
1456 class WarningContext(object):
1457 r"""Proxy of C++ IMP::WarningContext class."""
1459 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1460 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
1462 def add_warning(self, key, warning):
1463 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
1464 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
1466 def clear_warnings(self):
1467 r"""clear_warnings(WarningContext self)"""
1468 return _IMP_kernel.WarningContext_clear_warnings(self)
1470 def dump_warnings(self):
1471 r"""dump_warnings(WarningContext self)"""
1472 return _IMP_kernel.WarningContext_dump_warnings(self)
1473 __swig_destroy__ = _IMP_kernel.delete_WarningContext
1475 def show(self, *args):
1476 r"""show(WarningContext self, _ostream out=std::cout)"""
1477 return _IMP_kernel.WarningContext_show(self, *args)
1479 def __enter__(self):
1481 def __exit__(self, exc_type, exc_val, exc_tb):
1487 r"""__str__(WarningContext self) -> std::string"""
1488 return _IMP_kernel.WarningContext___str__(self)
1491 r"""__repr__(WarningContext self) -> std::string"""
1492 return _IMP_kernel.WarningContext___repr__(self)
1495 r"""__init__(WarningContext self) -> WarningContext"""
1496 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
1499 _IMP_kernel.WarningContext_swigregister(WarningContext)
1500 class CreateLogContext(_RAII):
1501 r"""Proxy of C++ IMP::CreateLogContext class."""
1503 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1505 def __init__(self, *args):
1507 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
1508 __init__(CreateLogContext self) -> CreateLogContext
1509 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
1511 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
1513 def set(self, fname, object=None):
1514 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
1515 return _IMP_kernel.CreateLogContext_set(self, fname, object)
1518 r"""reset(CreateLogContext self)"""
1519 return _IMP_kernel.CreateLogContext_reset(self)
1520 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1522 def show(self, *args):
1523 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1524 return _IMP_kernel.CreateLogContext_show(self, *args)
1526 def __enter__(self):
1528 def __exit__(self, exc_type, exc_val, exc_tb):
1534 r"""__str__(CreateLogContext self) -> std::string"""
1535 return _IMP_kernel.CreateLogContext___str__(self)
1538 r"""__repr__(CreateLogContext self) -> std::string"""
1539 return _IMP_kernel.CreateLogContext___repr__(self)
1542 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1543 class SetCheckState(_RAII):
1544 r"""Proxy of C++ IMP::SetCheckState class."""
1546 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1549 r"""reset(SetCheckState self)"""
1550 return _IMP_kernel.SetCheckState_reset(self)
1551 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1553 def show(self, *args):
1554 r"""show(SetCheckState self, _ostream out=std::cout)"""
1555 return _IMP_kernel.SetCheckState_show(self, *args)
1557 def __init__(self, *args):
1559 __init__(SetCheckState self) -> SetCheckState
1560 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1561 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1563 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1565 def set(self, *args):
1567 set(SetCheckState self, Object o, IMP::CheckLevel l)
1568 set(SetCheckState self, IMP::CheckLevel l)
1570 return _IMP_kernel.SetCheckState_set(self, *args)
1572 def __enter__(self):
1574 def __exit__(self, exc_type, exc_val, exc_tb):
1580 r"""__str__(SetCheckState self) -> std::string"""
1581 return _IMP_kernel.SetCheckState___str__(self)
1584 r"""__repr__(SetCheckState self) -> std::string"""
1585 return _IMP_kernel.SetCheckState___repr__(self)
1588 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1591 r"""get_unique_name(std::string templ) -> std::string"""
1592 return _IMP_kernel.get_unique_name(templ)
1595 r"""get_copyright() -> std::string"""
1596 return _IMP_kernel.get_copyright()
1597 class _Protection(object):
1598 r"""Proxy of C++ IMP::internal::_Protection class."""
1600 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1602 def __init__(self, *args, **kwargs):
1603 raise AttributeError(
"No constructor defined")
1605 def show(self, *args):
1606 r"""show(_Protection self, _ostream out=std::cout)"""
1607 return _IMP_kernel._Protection_show(self, *args)
1610 r"""__str__(_Protection self) -> std::string"""
1611 return _IMP_kernel._Protection___str__(self)
1614 r"""__repr__(_Protection self) -> std::string"""
1615 return _IMP_kernel._Protection___repr__(self)
1616 __swig_destroy__ = _IMP_kernel.delete__Protection
1619 _IMP_kernel._Protection_swigregister(_Protection)
1623 return _IMP_kernel._test_log()
1625 def _test_intranges(ips):
1626 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1627 return _IMP_kernel._test_intranges(ips)
1629 def _test_intrange(*args):
1631 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1632 _test_intrange() -> IMP::IntRange
1634 return _IMP_kernel._test_intrange(*args)
1637 r"""_test_ifile(TextInput a) -> std::string"""
1638 return _IMP_kernel._test_ifile(a)
1641 r"""_test_ofile(TextOutput a) -> std::string"""
1642 return _IMP_kernel._test_ofile(a)
1644 def _test_ifile_overloaded(*args):
1646 _test_ifile_overloaded(TextInput a, int i) -> std::string
1647 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1649 return _IMP_kernel._test_ifile_overloaded(*args)
1651 def _test_ofile_overloaded(*args):
1653 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1654 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1656 return _IMP_kernel._test_ofile_overloaded(*args)
1657 class _TestValue(object):
1658 r"""Proxy of C++ IMP::internal::_TestValue class."""
1660 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1662 def __init__(self, i):
1663 r"""__init__(_TestValue self, int i) -> _TestValue"""
1664 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1666 def show(self, *args):
1667 r"""show(_TestValue self, _ostream out=std::cout)"""
1668 return _IMP_kernel._TestValue_show(self, *args)
1670 def __cmp__(self, o):
1671 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1672 return _IMP_kernel._TestValue___cmp__(self, o)
1674 def __eq__(self, o):
1675 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1676 return _IMP_kernel._TestValue___eq__(self, o)
1678 def __ne__(self, o):
1679 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1680 return _IMP_kernel._TestValue___ne__(self, o)
1682 def __lt__(self, o):
1683 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1684 return _IMP_kernel._TestValue___lt__(self, o)
1686 def __gt__(self, o):
1687 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1688 return _IMP_kernel._TestValue___gt__(self, o)
1690 def __ge__(self, o):
1691 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1692 return _IMP_kernel._TestValue___ge__(self, o)
1694 def __le__(self, o):
1695 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1696 return _IMP_kernel._TestValue___le__(self, o)
1699 r"""get(_TestValue self) -> int"""
1700 return _IMP_kernel._TestValue_get(self)
1702 def get_float(self):
1703 r"""get_float(_TestValue self) -> float const &"""
1704 return _IMP_kernel._TestValue_get_float(self)
1706 def get_double(self):
1707 r"""get_double(_TestValue self) -> double const &"""
1708 return _IMP_kernel._TestValue_get_double(self)
1710 def get_Float(self):
1711 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1712 return _IMP_kernel._TestValue_get_Float(self)
1715 r"""get_int(_TestValue self) -> int const &"""
1716 return _IMP_kernel._TestValue_get_int(self)
1719 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1720 return _IMP_kernel._TestValue_get_Int(self)
1722 def get_string(self):
1723 r"""get_string(_TestValue self) -> std::string const &"""
1724 return _IMP_kernel._TestValue_get_string(self)
1726 def get_String(self):
1727 r"""get_String(_TestValue self) -> IMP::String const &"""
1728 return _IMP_kernel._TestValue_get_String(self)
1731 r"""__str__(_TestValue self) -> std::string"""
1732 return _IMP_kernel._TestValue___str__(self)
1735 r"""__repr__(_TestValue self) -> std::string"""
1736 return _IMP_kernel._TestValue___repr__(self)
1737 __swig_destroy__ = _IMP_kernel.delete__TestValue
1740 _IMP_kernel._TestValue_swigregister(_TestValue)
1742 def _pass_plain_pair(p):
1743 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1744 return _IMP_kernel._pass_plain_pair(p)
1746 def _pass_overloaded_strings(*args):
1748 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1749 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1751 return _IMP_kernel._pass_overloaded_strings(*args)
1754 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1755 return _IMP_kernel._pass_pair(p)
1757 def _pass_floats(input):
1758 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1759 return _IMP_kernel._pass_floats(input)
1761 def _pass_ints(input):
1762 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1763 return _IMP_kernel._pass_ints(input)
1765 def _pass_ints_list(input):
1766 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1767 return _IMP_kernel._pass_ints_list(input)
1769 def _pass_ints_lists(input):
1770 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1771 return _IMP_kernel._pass_ints_lists(input)
1773 def _pass_strings(input):
1774 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1775 return _IMP_kernel._pass_strings(input)
1776 class _TestObject(
Object):
1777 r"""Proxy of C++ IMP::internal::_TestObject class."""
1779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1782 r"""__init__(_TestObject self) -> _TestObject"""
1783 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1786 r"""get_version_info(_TestObject self) -> VersionInfo"""
1787 return _IMP_kernel._TestObject_get_version_info(self)
1788 __swig_destroy__ = _IMP_kernel.delete__TestObject
1791 r"""__str__(_TestObject self) -> std::string"""
1792 return _IMP_kernel._TestObject___str__(self)
1795 r"""__repr__(_TestObject self) -> std::string"""
1796 return _IMP_kernel._TestObject___repr__(self)
1800 return _object_cast_to__TestObject(o)
1804 _IMP_kernel._TestObject_swigregister(_TestObject)
1807 r"""get_live_object_names() -> IMP::Strings"""
1808 return _IMP_kernel.get_live_object_names()
1811 r"""get_live_objects() -> IMP::Objects"""
1812 return _IMP_kernel.get_live_objects()
1815 r"""set_show_leaked_objects(bool tf)"""
1816 return _IMP_kernel.set_show_leaked_objects(tf)
1819 r"""set_deprecation_warnings(bool tf)"""
1820 return _IMP_kernel.set_deprecation_warnings(tf)
1823 r"""set_deprecation_exceptions(bool tf)"""
1824 return _IMP_kernel.set_deprecation_exceptions(tf)
1827 r"""get_deprecation_exceptions() -> bool"""
1828 return _IMP_kernel.get_deprecation_exceptions()
1831 r"""handle_use_deprecated(std::string message)"""
1832 return _IMP_kernel.handle_use_deprecated(message)
1835 r"""get_number_of_threads() -> unsigned int"""
1836 return _IMP_kernel.get_number_of_threads()
1839 r"""set_number_of_threads(unsigned int n)"""
1840 return _IMP_kernel.set_number_of_threads(n)
1841 class SetNumberOfThreads(_RAII):
1842 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1844 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1846 def __init__(self, *args):
1848 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1849 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1851 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1854 r"""set(SetNumberOfThreads self, unsigned int n)"""
1855 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1858 r"""reset(SetNumberOfThreads self)"""
1859 return _IMP_kernel.SetNumberOfThreads_reset(self)
1860 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1862 def show(self, *args):
1863 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1864 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1866 def __enter__(self):
1868 def __exit__(self, exc_type, exc_val, exc_tb):
1874 r"""__str__(SetNumberOfThreads self) -> std::string"""
1875 return _IMP_kernel.SetNumberOfThreads___str__(self)
1878 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1879 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1882 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1885 i_m_p=
"IMP_MODULE_PATH"
1886 if i_m_p
in os.environ.keys():
1887 __path__.insert(0, os.environ[i_m_p])
1889 def _forward_add_attribute(self, name, value, opt=None):
1891 self.get_particle().add_attribute(name, value, opt)
1893 self.get_particle().add_attribute(name, value)
1894 def _forward_get_value(self, name):
1895 self.get_particle().get_value(name)
1896 def _forward_set_value(self, name, value):
1897 self.get_particle().set_value(name, value)
1903 _object_types.append(
"Constraint")
1906 def _object_cast_to_Constraint(o):
1907 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1908 return _IMP_kernel._object_cast_to_Constraint(o)
1910 _object_types.append(
"Undecorator")
1913 def _object_cast_to_Undecorator(o):
1914 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1915 return _IMP_kernel._object_cast_to_Undecorator(o)
1917 _object_types.append(
"Container")
1920 def _object_cast_to_Container(o):
1921 r"""_object_cast_to_Container(Object o) -> Container"""
1922 return _IMP_kernel._object_cast_to_Container(o)
1924 _object_types.append(
"Optimizer")
1927 def _object_cast_to_Optimizer(o):
1928 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1929 return _IMP_kernel._object_cast_to_Optimizer(o)
1931 _object_types.append(
"AttributeOptimizer")
1934 def _object_cast_to_AttributeOptimizer(o):
1935 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1936 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1938 _object_types.append(
"OptimizerState")
1941 def _object_cast_to_OptimizerState(o):
1942 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1943 return _IMP_kernel._object_cast_to_OptimizerState(o)
1945 _object_types.append(
"PairContainer")
1948 def _object_cast_to_PairContainer(o):
1949 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1950 return _IMP_kernel._object_cast_to_PairContainer(o)
1952 _object_types.append(
"PairModifier")
1955 def _object_cast_to_PairModifier(o):
1956 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1957 return _IMP_kernel._object_cast_to_PairModifier(o)
1959 _object_types.append(
"PairScore")
1962 def _object_cast_to_PairScore(o):
1963 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1964 return _IMP_kernel._object_cast_to_PairScore(o)
1966 _object_types.append(
"QuadContainer")
1969 def _object_cast_to_QuadContainer(o):
1970 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1971 return _IMP_kernel._object_cast_to_QuadContainer(o)
1973 _object_types.append(
"QuadModifier")
1976 def _object_cast_to_QuadModifier(o):
1977 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1978 return _IMP_kernel._object_cast_to_QuadModifier(o)
1980 _object_types.append(
"QuadScore")
1983 def _object_cast_to_QuadScore(o):
1984 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1985 return _IMP_kernel._object_cast_to_QuadScore(o)
1987 _object_types.append(
"Refiner")
1990 def _object_cast_to_Refiner(o):
1991 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1992 return _IMP_kernel._object_cast_to_Refiner(o)
1994 _object_types.append(
"Restraint")
1997 def _object_cast_to_Restraint(o):
1998 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1999 return _IMP_kernel._object_cast_to_Restraint(o)
2001 _object_types.append(
"Sampler")
2004 def _object_cast_to_Sampler(o):
2005 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
2006 return _IMP_kernel._object_cast_to_Sampler(o)
2008 _object_types.append(
"ScoreState")
2011 def _object_cast_to_ScoreState(o):
2012 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
2013 return _IMP_kernel._object_cast_to_ScoreState(o)
2015 _object_types.append(
"SingletonContainer")
2018 def _object_cast_to_SingletonContainer(o):
2019 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
2020 return _IMP_kernel._object_cast_to_SingletonContainer(o)
2022 _object_types.append(
"SingletonModifier")
2025 def _object_cast_to_SingletonModifier(o):
2026 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
2027 return _IMP_kernel._object_cast_to_SingletonModifier(o)
2029 _object_types.append(
"SingletonScore")
2032 def _object_cast_to_SingletonScore(o):
2033 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
2034 return _IMP_kernel._object_cast_to_SingletonScore(o)
2036 _object_types.append(
"TripletContainer")
2039 def _object_cast_to_TripletContainer(o):
2040 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
2041 return _IMP_kernel._object_cast_to_TripletContainer(o)
2043 _object_types.append(
"TripletModifier")
2046 def _object_cast_to_TripletModifier(o):
2047 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
2048 return _IMP_kernel._object_cast_to_TripletModifier(o)
2050 _object_types.append(
"TripletScore")
2053 def _object_cast_to_TripletScore(o):
2054 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
2055 return _IMP_kernel._object_cast_to_TripletScore(o)
2057 _object_types.append(
"UnaryFunction")
2060 def _object_cast_to_UnaryFunction(o):
2061 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
2062 return _IMP_kernel._object_cast_to_UnaryFunction(o)
2064 _object_types.append(
"RestraintInfo")
2067 def _object_cast_to_RestraintInfo(o):
2068 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
2069 return _IMP_kernel._object_cast_to_RestraintInfo(o)
2071 _object_types.append(
"ConfigurationSet")
2074 def _object_cast_to_ConfigurationSet(o):
2075 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
2076 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
2078 _object_types.append(
"Configuration")
2081 def _object_cast_to_Configuration(o):
2082 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
2083 return _IMP_kernel._object_cast_to_Configuration(o)
2085 _object_types.append(
"Model")
2088 def _object_cast_to_Model(o):
2089 r"""_object_cast_to_Model(Object o) -> Model"""
2090 return _IMP_kernel._object_cast_to_Model(o)
2092 _object_types.append(
"Particle")
2095 def _object_cast_to_Particle(o):
2096 r"""_object_cast_to_Particle(Object o) -> Particle"""
2097 return _IMP_kernel._object_cast_to_Particle(o)
2099 _object_types.append(
"RestraintSet")
2102 def _object_cast_to_RestraintSet(o):
2103 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
2104 return _IMP_kernel._object_cast_to_RestraintSet(o)
2106 ParticlePairsTemp=list
2107 _plural_types.append(
"ParticlePairsTemp")
2108 _value_types.append(
"ParticlePair")
2111 ParticleTripletsTemp=list
2112 _plural_types.append(
"ParticleTripletsTemp")
2113 _value_types.append(
"ParticleTriplet")
2116 ParticleQuadsTemp=list
2117 _plural_types.append(
"ParticleQuadsTemp")
2118 _value_types.append(
"ParticleQuad")
2121 ParticleIndexPairs=list
2122 _plural_types.append(
"ParticleIndexPairs")
2123 _value_types.append(
"ParticleIndexPair")
2126 ParticleIndexTriplets=list
2127 _plural_types.append(
"ParticleIndexTriplets")
2128 _value_types.append(
"ParticleIndexTriplet")
2131 ParticleIndexQuads=list
2132 _plural_types.append(
"ParticleIndexQuads")
2133 _value_types.append(
"ParticleIndexQuad")
2136 _object_types.append(
"SingletonPredicate")
2139 def _object_cast_to_SingletonPredicate(o):
2140 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
2141 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
2143 _object_types.append(
"PairPredicate")
2146 def _object_cast_to_PairPredicate(o):
2147 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
2148 return _IMP_kernel._object_cast_to_PairPredicate(o)
2150 _object_types.append(
"TripletPredicate")
2153 def _object_cast_to_TripletPredicate(o):
2154 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
2155 return _IMP_kernel._object_cast_to_TripletPredicate(o)
2157 _object_types.append(
"QuadPredicate")
2160 def _object_cast_to_QuadPredicate(o):
2161 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
2162 return _IMP_kernel._object_cast_to_QuadPredicate(o)
2164 _object_types.append(
"SaveToConfigurationSetOptimizerState")
2167 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
2168 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
2169 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
2171 EvaluationStates=list
2172 _plural_types.append(
"EvaluationStates")
2173 _value_types.append(
"EvaluationState")
2176 ScoreAccumulators=list
2177 _plural_types.append(
"ScoreAccumulators")
2178 _value_types.append(
"ScoreAccumulator")
2181 ParticleIndexes=list
2182 _plural_types.append(
"ParticleIndexes")
2183 _value_types.append(
"ParticleIndex")
2187 _plural_types.append(
"FloatIndexes")
2188 _value_types.append(
"FloatIndex")
2192 _plural_types.append(
"FloatKeys")
2193 _value_types.append(
"FloatKey")
2197 _plural_types.append(
"FloatsKeys")
2198 _value_types.append(
"FloatsKey")
2202 _plural_types.append(
"IntKeys")
2203 _value_types.append(
"IntKey")
2207 _plural_types.append(
"IntsKeys")
2208 _value_types.append(
"IntsKey")
2212 _plural_types.append(
"StringKeys")
2213 _value_types.append(
"StringKey")
2216 ParticleIndexKeys=list
2217 _plural_types.append(
"ParticleIndexKeys")
2218 _value_types.append(
"ParticleIndexKey")
2221 ParticleIndexesKeys=list
2222 _plural_types.append(
"ParticleIndexesKeys")
2223 _value_types.append(
"ParticleIndexesKey")
2227 _plural_types.append(
"ObjectKeys")
2228 _value_types.append(
"ObjectKey")
2232 _plural_types.append(
"ModelKeys")
2233 _value_types.append(
"ModelKey")
2237 _plural_types.append(
"TriggerKeys")
2238 _value_types.append(
"TriggerKey")
2241 SparseFloatKeys=list
2242 _plural_types.append(
"SparseFloatKeys")
2243 _value_types.append(
"SparseFloatKey")
2247 _plural_types.append(
"SparseIntKeys")
2248 _value_types.append(
"SparseIntKey")
2251 SparseStringKeys=list
2252 _plural_types.append(
"SparseStringKeys")
2253 _value_types.append(
"SparseStringKey")
2256 SparseParticleIndexKeys=list
2257 _plural_types.append(
"SparseParticleIndexKeys")
2258 _value_types.append(
"SparseParticleIndexKey")
2262 _plural_types.append(
"Vector3DKeys")
2263 _value_types.append(
"Vector3DKey")
2267 _plural_types.append(
"Vector4DKeys")
2268 _value_types.append(
"Vector4DKey")
2271 Vector3DDerivKeys=list
2272 _plural_types.append(
"Vector3DDerivKeys")
2273 _value_types.append(
"Vector3DDerivKey")
2276 Vector4DDerivKeys=list
2277 _plural_types.append(
"Vector4DDerivKeys")
2278 _value_types.append(
"Vector4DDerivKey")
2281 _raii_types.append(
"ScopedSetFloatAttribute")
2284 _object_types.append(
"ScoringFunction")
2287 def _object_cast_to_ScoringFunction(o):
2288 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
2289 return _IMP_kernel._object_cast_to_ScoringFunction(o)
2291 _object_types.append(
"ModelObject")
2294 def _object_cast_to_ModelObject(o):
2295 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
2296 return _IMP_kernel._object_cast_to_ModelObject(o)
2298 _object_types.append(
"_RestraintsScoringFunction")
2301 def _object_cast_to__RestraintsScoringFunction(o):
2302 r"""_object_cast_to__RestraintsScoringFunction(Object o) -> _RestraintsScoringFunction"""
2303 return _IMP_kernel._object_cast_to__RestraintsScoringFunction(o)
2305 def _TrivialDecorators(l=[]):
2306 return [_TrivialDecorator(x)
for x
in l]
2307 _plural_types.append(
"_TrivialDecorators")
2310 _value_types.append(
"_TrivialDecorator")
2313 def _TrivialDerivedDecorators(l=[]):
2314 return [_TrivialDerivedDecorator(x)
for x
in l]
2315 _plural_types.append(
"_TrivialDerivedDecorators")
2318 _value_types.append(
"_TrivialDerivedDecorator")
2321 def _TrivialTraitsDecorators(l=[]):
2322 return [_TrivialTraitsDecorator(x)
for x
in l]
2323 _plural_types.append(
"_TrivialTraitsDecorators")
2326 _value_types.append(
"_TrivialTraitsDecorator")
2329 _object_types.append(
"_ConstRestraint")
2332 def _object_cast_to__ConstRestraint(o):
2333 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
2334 return _IMP_kernel._object_cast_to__ConstRestraint(o)
2336 _object_types.append(
"_ConstOptimizer")
2339 def _object_cast_to__ConstOptimizer(o):
2340 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
2341 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
2343 _object_types.append(
"_ConstSingletonScore")
2346 def _object_cast_to__ConstSingletonScore(o):
2347 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
2348 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
2350 _object_types.append(
"_ConstPairScore")
2353 def _object_cast_to__ConstPairScore(o):
2354 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
2355 return _IMP_kernel._object_cast_to__ConstPairScore(o)
2357 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
2359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2360 __repr__ = _swig_repr
2363 r"""__init__(DependencyGraph self) -> DependencyGraph"""
2364 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
2366 def get_graph(self):
2367 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
2368 return _IMP_kernel.DependencyGraph_get_graph(self)
2371 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2372 return _IMP_kernel.DependencyGraph_get_vertices(self)
2374 def get_vertex_name(self, i):
2375 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
2376 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
2378 def get_in_neighbors(self, v):
2379 r"""get_in_neighbors(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2380 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
2382 def get_out_neighbors(self, v):
2383 r"""get_out_neighbors(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2384 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
2387 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
2388 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
2390 def get_graphviz_string(self):
2391 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
2392 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
2394 def add_edge(self, v0, v1):
2395 r"""add_edge(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v0, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor v1)"""
2396 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
2398 def add_vertex(self, l):
2399 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
2400 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
2402 def remove_vertex(self, l):
2403 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
2404 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
2405 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
2408 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
2410 _value_types.append(
"DependencyGraph")
2413 r"""Proxy of C++ IMP::Key< 0 > class."""
2415 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2417 def __init__(self, *args):
2419 __init__(FloatKey self) -> FloatKey
2420 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
2421 __init__(FloatKey self, unsigned int i) -> FloatKey
2423 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
2427 r"""add_key(std::string sc) -> unsigned int"""
2428 return _IMP_kernel.FloatKey_add_key(sc)
2431 def get_key_exists(sc):
2432 r"""get_key_exists(std::string sc) -> bool"""
2433 return _IMP_kernel.FloatKey_get_key_exists(sc)
2435 def get_string(self):
2436 r"""get_string(FloatKey self) -> std::string const"""
2437 return _IMP_kernel.FloatKey_get_string(self)
2439 def __cmp__(self, o):
2440 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
2441 return _IMP_kernel.FloatKey___cmp__(self, o)
2443 def __eq__(self, o):
2444 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
2445 return _IMP_kernel.FloatKey___eq__(self, o)
2447 def __ne__(self, o):
2448 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
2449 return _IMP_kernel.FloatKey___ne__(self, o)
2451 def __lt__(self, o):
2452 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
2453 return _IMP_kernel.FloatKey___lt__(self, o)
2455 def __gt__(self, o):
2456 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
2457 return _IMP_kernel.FloatKey___gt__(self, o)
2459 def __ge__(self, o):
2460 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
2461 return _IMP_kernel.FloatKey___ge__(self, o)
2463 def __le__(self, o):
2464 r"""__le__(FloatKey self, FloatKey o) -> bool"""
2465 return _IMP_kernel.FloatKey___le__(self, o)
2468 r"""__hash__(FloatKey self) -> std::size_t"""
2469 return _IMP_kernel.FloatKey___hash__(self)
2471 def show(self, *args):
2472 r"""show(FloatKey self, _ostream out=std::cout)"""
2473 return _IMP_kernel.FloatKey_show(self, *args)
2476 def add_alias(old_key, new_name):
2477 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
2478 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
2481 def get_number_of_keys():
2482 r"""get_number_of_keys() -> unsigned int"""
2483 return _IMP_kernel.FloatKey_get_number_of_keys()
2486 r"""get_index(FloatKey self) -> unsigned int"""
2487 return _IMP_kernel.FloatKey_get_index(self)
2491 r"""show_all(_ostream out)"""
2492 return _IMP_kernel.FloatKey_show_all(out)
2495 def get_all_strings():
2496 r"""get_all_strings() -> IMP::Vector< std::string >"""
2497 return _IMP_kernel.FloatKey_get_all_strings()
2500 def get_number_unique():
2501 r"""get_number_unique() -> unsigned int"""
2502 return _IMP_kernel.FloatKey_get_number_unique()
2505 r"""__str__(FloatKey self) -> std::string"""
2506 return _IMP_kernel.FloatKey___str__(self)
2509 r"""__repr__(FloatKey self) -> std::string"""
2510 return _IMP_kernel.FloatKey___repr__(self)
2511 __swig_destroy__ = _IMP_kernel.delete_FloatKey
2514 _IMP_kernel.FloatKey_swigregister(FloatKey)
2516 r"""Proxy of C++ IMP::Key< 1 > class."""
2518 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2520 def __init__(self, *args):
2522 __init__(IntKey self) -> IntKey
2523 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
2524 __init__(IntKey self, unsigned int i) -> IntKey
2526 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
2530 r"""add_key(std::string sc) -> unsigned int"""
2531 return _IMP_kernel.IntKey_add_key(sc)
2534 def get_key_exists(sc):
2535 r"""get_key_exists(std::string sc) -> bool"""
2536 return _IMP_kernel.IntKey_get_key_exists(sc)
2538 def get_string(self):
2539 r"""get_string(IntKey self) -> std::string const"""
2540 return _IMP_kernel.IntKey_get_string(self)
2542 def __cmp__(self, o):
2543 r"""__cmp__(IntKey self, IntKey o) -> int"""
2544 return _IMP_kernel.IntKey___cmp__(self, o)
2546 def __eq__(self, o):
2547 r"""__eq__(IntKey self, IntKey o) -> bool"""
2548 return _IMP_kernel.IntKey___eq__(self, o)
2550 def __ne__(self, o):
2551 r"""__ne__(IntKey self, IntKey o) -> bool"""
2552 return _IMP_kernel.IntKey___ne__(self, o)
2554 def __lt__(self, o):
2555 r"""__lt__(IntKey self, IntKey o) -> bool"""
2556 return _IMP_kernel.IntKey___lt__(self, o)
2558 def __gt__(self, o):
2559 r"""__gt__(IntKey self, IntKey o) -> bool"""
2560 return _IMP_kernel.IntKey___gt__(self, o)
2562 def __ge__(self, o):
2563 r"""__ge__(IntKey self, IntKey o) -> bool"""
2564 return _IMP_kernel.IntKey___ge__(self, o)
2566 def __le__(self, o):
2567 r"""__le__(IntKey self, IntKey o) -> bool"""
2568 return _IMP_kernel.IntKey___le__(self, o)
2571 r"""__hash__(IntKey self) -> std::size_t"""
2572 return _IMP_kernel.IntKey___hash__(self)
2574 def show(self, *args):
2575 r"""show(IntKey self, _ostream out=std::cout)"""
2576 return _IMP_kernel.IntKey_show(self, *args)
2579 def add_alias(old_key, new_name):
2580 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2581 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2584 def get_number_of_keys():
2585 r"""get_number_of_keys() -> unsigned int"""
2586 return _IMP_kernel.IntKey_get_number_of_keys()
2589 r"""get_index(IntKey self) -> unsigned int"""
2590 return _IMP_kernel.IntKey_get_index(self)
2594 r"""show_all(_ostream out)"""
2595 return _IMP_kernel.IntKey_show_all(out)
2598 def get_all_strings():
2599 r"""get_all_strings() -> IMP::Vector< std::string >"""
2600 return _IMP_kernel.IntKey_get_all_strings()
2603 def get_number_unique():
2604 r"""get_number_unique() -> unsigned int"""
2605 return _IMP_kernel.IntKey_get_number_unique()
2608 r"""__str__(IntKey self) -> std::string"""
2609 return _IMP_kernel.IntKey___str__(self)
2612 r"""__repr__(IntKey self) -> std::string"""
2613 return _IMP_kernel.IntKey___repr__(self)
2614 __swig_destroy__ = _IMP_kernel.delete_IntKey
2617 _IMP_kernel.IntKey_swigregister(IntKey)
2619 r"""Proxy of C++ IMP::Key< 2 > class."""
2621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2623 def __init__(self, *args):
2625 __init__(StringKey self) -> StringKey
2626 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2627 __init__(StringKey self, unsigned int i) -> StringKey
2629 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2633 r"""add_key(std::string sc) -> unsigned int"""
2634 return _IMP_kernel.StringKey_add_key(sc)
2637 def get_key_exists(sc):
2638 r"""get_key_exists(std::string sc) -> bool"""
2639 return _IMP_kernel.StringKey_get_key_exists(sc)
2641 def get_string(self):
2642 r"""get_string(StringKey self) -> std::string const"""
2643 return _IMP_kernel.StringKey_get_string(self)
2645 def __cmp__(self, o):
2646 r"""__cmp__(StringKey self, StringKey o) -> int"""
2647 return _IMP_kernel.StringKey___cmp__(self, o)
2649 def __eq__(self, o):
2650 r"""__eq__(StringKey self, StringKey o) -> bool"""
2651 return _IMP_kernel.StringKey___eq__(self, o)
2653 def __ne__(self, o):
2654 r"""__ne__(StringKey self, StringKey o) -> bool"""
2655 return _IMP_kernel.StringKey___ne__(self, o)
2657 def __lt__(self, o):
2658 r"""__lt__(StringKey self, StringKey o) -> bool"""
2659 return _IMP_kernel.StringKey___lt__(self, o)
2661 def __gt__(self, o):
2662 r"""__gt__(StringKey self, StringKey o) -> bool"""
2663 return _IMP_kernel.StringKey___gt__(self, o)
2665 def __ge__(self, o):
2666 r"""__ge__(StringKey self, StringKey o) -> bool"""
2667 return _IMP_kernel.StringKey___ge__(self, o)
2669 def __le__(self, o):
2670 r"""__le__(StringKey self, StringKey o) -> bool"""
2671 return _IMP_kernel.StringKey___le__(self, o)
2674 r"""__hash__(StringKey self) -> std::size_t"""
2675 return _IMP_kernel.StringKey___hash__(self)
2677 def show(self, *args):
2678 r"""show(StringKey self, _ostream out=std::cout)"""
2679 return _IMP_kernel.StringKey_show(self, *args)
2682 def add_alias(old_key, new_name):
2683 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2684 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2687 def get_number_of_keys():
2688 r"""get_number_of_keys() -> unsigned int"""
2689 return _IMP_kernel.StringKey_get_number_of_keys()
2692 r"""get_index(StringKey self) -> unsigned int"""
2693 return _IMP_kernel.StringKey_get_index(self)
2697 r"""show_all(_ostream out)"""
2698 return _IMP_kernel.StringKey_show_all(out)
2701 def get_all_strings():
2702 r"""get_all_strings() -> IMP::Vector< std::string >"""
2703 return _IMP_kernel.StringKey_get_all_strings()
2706 def get_number_unique():
2707 r"""get_number_unique() -> unsigned int"""
2708 return _IMP_kernel.StringKey_get_number_unique()
2711 r"""__str__(StringKey self) -> std::string"""
2712 return _IMP_kernel.StringKey___str__(self)
2715 r"""__repr__(StringKey self) -> std::string"""
2716 return _IMP_kernel.StringKey___repr__(self)
2717 __swig_destroy__ = _IMP_kernel.delete_StringKey
2720 _IMP_kernel.StringKey_swigregister(StringKey)
2722 r"""Proxy of C++ IMP::Key< 3 > class."""
2724 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2726 def __init__(self, *args):
2728 __init__(ParticleIndexKey self) -> ParticleIndexKey
2729 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2730 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2732 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2736 r"""add_key(std::string sc) -> unsigned int"""
2737 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2740 def get_key_exists(sc):
2741 r"""get_key_exists(std::string sc) -> bool"""
2742 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2744 def get_string(self):
2745 r"""get_string(ParticleIndexKey self) -> std::string const"""
2746 return _IMP_kernel.ParticleIndexKey_get_string(self)
2748 def __cmp__(self, o):
2749 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2750 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2752 def __eq__(self, o):
2753 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2754 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2756 def __ne__(self, o):
2757 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2758 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2760 def __lt__(self, o):
2761 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2762 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2764 def __gt__(self, o):
2765 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2766 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2768 def __ge__(self, o):
2769 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2770 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2772 def __le__(self, o):
2773 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2774 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2777 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2778 return _IMP_kernel.ParticleIndexKey___hash__(self)
2780 def show(self, *args):
2781 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2782 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2785 def add_alias(old_key, new_name):
2786 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2787 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2790 def get_number_of_keys():
2791 r"""get_number_of_keys() -> unsigned int"""
2792 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2795 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2796 return _IMP_kernel.ParticleIndexKey_get_index(self)
2800 r"""show_all(_ostream out)"""
2801 return _IMP_kernel.ParticleIndexKey_show_all(out)
2804 def get_all_strings():
2805 r"""get_all_strings() -> IMP::Vector< std::string >"""
2806 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2809 def get_number_unique():
2810 r"""get_number_unique() -> unsigned int"""
2811 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2814 r"""__str__(ParticleIndexKey self) -> std::string"""
2815 return _IMP_kernel.ParticleIndexKey___str__(self)
2818 r"""__repr__(ParticleIndexKey self) -> std::string"""
2819 return _IMP_kernel.ParticleIndexKey___repr__(self)
2820 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2823 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2825 r"""Proxy of C++ IMP::Key< 4 > class."""
2827 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2829 def __init__(self, *args):
2831 __init__(ObjectKey self) -> ObjectKey
2832 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2833 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2835 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2839 r"""add_key(std::string sc) -> unsigned int"""
2840 return _IMP_kernel.ObjectKey_add_key(sc)
2843 def get_key_exists(sc):
2844 r"""get_key_exists(std::string sc) -> bool"""
2845 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2847 def get_string(self):
2848 r"""get_string(ObjectKey self) -> std::string const"""
2849 return _IMP_kernel.ObjectKey_get_string(self)
2851 def __cmp__(self, o):
2852 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2853 return _IMP_kernel.ObjectKey___cmp__(self, o)
2855 def __eq__(self, o):
2856 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2857 return _IMP_kernel.ObjectKey___eq__(self, o)
2859 def __ne__(self, o):
2860 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2861 return _IMP_kernel.ObjectKey___ne__(self, o)
2863 def __lt__(self, o):
2864 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2865 return _IMP_kernel.ObjectKey___lt__(self, o)
2867 def __gt__(self, o):
2868 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2869 return _IMP_kernel.ObjectKey___gt__(self, o)
2871 def __ge__(self, o):
2872 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2873 return _IMP_kernel.ObjectKey___ge__(self, o)
2875 def __le__(self, o):
2876 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2877 return _IMP_kernel.ObjectKey___le__(self, o)
2880 r"""__hash__(ObjectKey self) -> std::size_t"""
2881 return _IMP_kernel.ObjectKey___hash__(self)
2883 def show(self, *args):
2884 r"""show(ObjectKey self, _ostream out=std::cout)"""
2885 return _IMP_kernel.ObjectKey_show(self, *args)
2888 def add_alias(old_key, new_name):
2889 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2890 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2893 def get_number_of_keys():
2894 r"""get_number_of_keys() -> unsigned int"""
2895 return _IMP_kernel.ObjectKey_get_number_of_keys()
2898 r"""get_index(ObjectKey self) -> unsigned int"""
2899 return _IMP_kernel.ObjectKey_get_index(self)
2903 r"""show_all(_ostream out)"""
2904 return _IMP_kernel.ObjectKey_show_all(out)
2907 def get_all_strings():
2908 r"""get_all_strings() -> IMP::Vector< std::string >"""
2909 return _IMP_kernel.ObjectKey_get_all_strings()
2912 def get_number_unique():
2913 r"""get_number_unique() -> unsigned int"""
2914 return _IMP_kernel.ObjectKey_get_number_unique()
2917 r"""__str__(ObjectKey self) -> std::string"""
2918 return _IMP_kernel.ObjectKey___str__(self)
2921 r"""__repr__(ObjectKey self) -> std::string"""
2922 return _IMP_kernel.ObjectKey___repr__(self)
2923 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2926 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2928 r"""Proxy of C++ IMP::Key< 5 > class."""
2930 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2932 def __init__(self, *args):
2934 __init__(IntsKey self) -> IntsKey
2935 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2936 __init__(IntsKey self, unsigned int i) -> IntsKey
2938 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2942 r"""add_key(std::string sc) -> unsigned int"""
2943 return _IMP_kernel.IntsKey_add_key(sc)
2946 def get_key_exists(sc):
2947 r"""get_key_exists(std::string sc) -> bool"""
2948 return _IMP_kernel.IntsKey_get_key_exists(sc)
2950 def get_string(self):
2951 r"""get_string(IntsKey self) -> std::string const"""
2952 return _IMP_kernel.IntsKey_get_string(self)
2954 def __cmp__(self, o):
2955 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2956 return _IMP_kernel.IntsKey___cmp__(self, o)
2958 def __eq__(self, o):
2959 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2960 return _IMP_kernel.IntsKey___eq__(self, o)
2962 def __ne__(self, o):
2963 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2964 return _IMP_kernel.IntsKey___ne__(self, o)
2966 def __lt__(self, o):
2967 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2968 return _IMP_kernel.IntsKey___lt__(self, o)
2970 def __gt__(self, o):
2971 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2972 return _IMP_kernel.IntsKey___gt__(self, o)
2974 def __ge__(self, o):
2975 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2976 return _IMP_kernel.IntsKey___ge__(self, o)
2978 def __le__(self, o):
2979 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2980 return _IMP_kernel.IntsKey___le__(self, o)
2983 r"""__hash__(IntsKey self) -> std::size_t"""
2984 return _IMP_kernel.IntsKey___hash__(self)
2986 def show(self, *args):
2987 r"""show(IntsKey self, _ostream out=std::cout)"""
2988 return _IMP_kernel.IntsKey_show(self, *args)
2991 def add_alias(old_key, new_name):
2992 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2993 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2996 def get_number_of_keys():
2997 r"""get_number_of_keys() -> unsigned int"""
2998 return _IMP_kernel.IntsKey_get_number_of_keys()
3001 r"""get_index(IntsKey self) -> unsigned int"""
3002 return _IMP_kernel.IntsKey_get_index(self)
3006 r"""show_all(_ostream out)"""
3007 return _IMP_kernel.IntsKey_show_all(out)
3010 def get_all_strings():
3011 r"""get_all_strings() -> IMP::Vector< std::string >"""
3012 return _IMP_kernel.IntsKey_get_all_strings()
3015 def get_number_unique():
3016 r"""get_number_unique() -> unsigned int"""
3017 return _IMP_kernel.IntsKey_get_number_unique()
3020 r"""__str__(IntsKey self) -> std::string"""
3021 return _IMP_kernel.IntsKey___str__(self)
3024 r"""__repr__(IntsKey self) -> std::string"""
3025 return _IMP_kernel.IntsKey___repr__(self)
3026 __swig_destroy__ = _IMP_kernel.delete_IntsKey
3029 _IMP_kernel.IntsKey_swigregister(IntsKey)
3031 r"""Proxy of C++ IMP::Key< 6 > class."""
3033 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3035 def __init__(self, *args):
3037 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
3038 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
3039 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
3041 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
3045 r"""add_key(std::string sc) -> unsigned int"""
3046 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
3049 def get_key_exists(sc):
3050 r"""get_key_exists(std::string sc) -> bool"""
3051 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
3053 def get_string(self):
3054 r"""get_string(ParticleIndexesKey self) -> std::string const"""
3055 return _IMP_kernel.ParticleIndexesKey_get_string(self)
3057 def __cmp__(self, o):
3058 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
3059 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
3061 def __eq__(self, o):
3062 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3063 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
3065 def __ne__(self, o):
3066 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3067 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
3069 def __lt__(self, o):
3070 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3071 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
3073 def __gt__(self, o):
3074 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3075 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
3077 def __ge__(self, o):
3078 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3079 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
3081 def __le__(self, o):
3082 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3083 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
3086 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
3087 return _IMP_kernel.ParticleIndexesKey___hash__(self)
3089 def show(self, *args):
3090 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
3091 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
3094 def add_alias(old_key, new_name):
3095 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
3096 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
3099 def get_number_of_keys():
3100 r"""get_number_of_keys() -> unsigned int"""
3101 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
3104 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
3105 return _IMP_kernel.ParticleIndexesKey_get_index(self)
3109 r"""show_all(_ostream out)"""
3110 return _IMP_kernel.ParticleIndexesKey_show_all(out)
3113 def get_all_strings():
3114 r"""get_all_strings() -> IMP::Vector< std::string >"""
3115 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
3118 def get_number_unique():
3119 r"""get_number_unique() -> unsigned int"""
3120 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
3123 r"""__str__(ParticleIndexesKey self) -> std::string"""
3124 return _IMP_kernel.ParticleIndexesKey___str__(self)
3127 r"""__repr__(ParticleIndexesKey self) -> std::string"""
3128 return _IMP_kernel.ParticleIndexesKey___repr__(self)
3129 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
3132 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
3134 r"""Proxy of C++ IMP::Key< 8 > class."""
3136 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3138 def __init__(self, *args):
3140 __init__(ModelKey self) -> ModelKey
3141 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
3142 __init__(ModelKey self, unsigned int i) -> ModelKey
3144 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
3148 r"""add_key(std::string sc) -> unsigned int"""
3149 return _IMP_kernel.ModelKey_add_key(sc)
3152 def get_key_exists(sc):
3153 r"""get_key_exists(std::string sc) -> bool"""
3154 return _IMP_kernel.ModelKey_get_key_exists(sc)
3156 def get_string(self):
3157 r"""get_string(ModelKey self) -> std::string const"""
3158 return _IMP_kernel.ModelKey_get_string(self)
3160 def __cmp__(self, o):
3161 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
3162 return _IMP_kernel.ModelKey___cmp__(self, o)
3164 def __eq__(self, o):
3165 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
3166 return _IMP_kernel.ModelKey___eq__(self, o)
3168 def __ne__(self, o):
3169 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
3170 return _IMP_kernel.ModelKey___ne__(self, o)
3172 def __lt__(self, o):
3173 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
3174 return _IMP_kernel.ModelKey___lt__(self, o)
3176 def __gt__(self, o):
3177 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
3178 return _IMP_kernel.ModelKey___gt__(self, o)
3180 def __ge__(self, o):
3181 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
3182 return _IMP_kernel.ModelKey___ge__(self, o)
3184 def __le__(self, o):
3185 r"""__le__(ModelKey self, ModelKey o) -> bool"""
3186 return _IMP_kernel.ModelKey___le__(self, o)
3189 r"""__hash__(ModelKey self) -> std::size_t"""
3190 return _IMP_kernel.ModelKey___hash__(self)
3192 def show(self, *args):
3193 r"""show(ModelKey self, _ostream out=std::cout)"""
3194 return _IMP_kernel.ModelKey_show(self, *args)
3197 def add_alias(old_key, new_name):
3198 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
3199 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
3202 def get_number_of_keys():
3203 r"""get_number_of_keys() -> unsigned int"""
3204 return _IMP_kernel.ModelKey_get_number_of_keys()
3207 r"""get_index(ModelKey self) -> unsigned int"""
3208 return _IMP_kernel.ModelKey_get_index(self)
3212 r"""show_all(_ostream out)"""
3213 return _IMP_kernel.ModelKey_show_all(out)
3216 def get_all_strings():
3217 r"""get_all_strings() -> IMP::Vector< std::string >"""
3218 return _IMP_kernel.ModelKey_get_all_strings()
3221 def get_number_unique():
3222 r"""get_number_unique() -> unsigned int"""
3223 return _IMP_kernel.ModelKey_get_number_unique()
3226 r"""__str__(ModelKey self) -> std::string"""
3227 return _IMP_kernel.ModelKey___str__(self)
3230 r"""__repr__(ModelKey self) -> std::string"""
3231 return _IMP_kernel.ModelKey___repr__(self)
3232 __swig_destroy__ = _IMP_kernel.delete_ModelKey
3235 _IMP_kernel.ModelKey_swigregister(ModelKey)
3237 r"""Proxy of C++ IMP::Key< 11 > class."""
3239 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3241 def __init__(self, *args):
3243 __init__(TriggerKey self) -> TriggerKey
3244 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
3245 __init__(TriggerKey self, unsigned int i) -> TriggerKey
3247 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
3251 r"""add_key(std::string sc) -> unsigned int"""
3252 return _IMP_kernel.TriggerKey_add_key(sc)
3255 def get_key_exists(sc):
3256 r"""get_key_exists(std::string sc) -> bool"""
3257 return _IMP_kernel.TriggerKey_get_key_exists(sc)
3259 def get_string(self):
3260 r"""get_string(TriggerKey self) -> std::string const"""
3261 return _IMP_kernel.TriggerKey_get_string(self)
3263 def __cmp__(self, o):
3264 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
3265 return _IMP_kernel.TriggerKey___cmp__(self, o)
3267 def __eq__(self, o):
3268 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
3269 return _IMP_kernel.TriggerKey___eq__(self, o)
3271 def __ne__(self, o):
3272 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
3273 return _IMP_kernel.TriggerKey___ne__(self, o)
3275 def __lt__(self, o):
3276 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
3277 return _IMP_kernel.TriggerKey___lt__(self, o)
3279 def __gt__(self, o):
3280 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
3281 return _IMP_kernel.TriggerKey___gt__(self, o)
3283 def __ge__(self, o):
3284 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
3285 return _IMP_kernel.TriggerKey___ge__(self, o)
3287 def __le__(self, o):
3288 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
3289 return _IMP_kernel.TriggerKey___le__(self, o)
3292 r"""__hash__(TriggerKey self) -> std::size_t"""
3293 return _IMP_kernel.TriggerKey___hash__(self)
3295 def show(self, *args):
3296 r"""show(TriggerKey self, _ostream out=std::cout)"""
3297 return _IMP_kernel.TriggerKey_show(self, *args)
3300 def add_alias(old_key, new_name):
3301 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
3302 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
3305 def get_number_of_keys():
3306 r"""get_number_of_keys() -> unsigned int"""
3307 return _IMP_kernel.TriggerKey_get_number_of_keys()
3310 r"""get_index(TriggerKey self) -> unsigned int"""
3311 return _IMP_kernel.TriggerKey_get_index(self)
3315 r"""show_all(_ostream out)"""
3316 return _IMP_kernel.TriggerKey_show_all(out)
3319 def get_all_strings():
3320 r"""get_all_strings() -> IMP::Vector< std::string >"""
3321 return _IMP_kernel.TriggerKey_get_all_strings()
3324 def get_number_unique():
3325 r"""get_number_unique() -> unsigned int"""
3326 return _IMP_kernel.TriggerKey_get_number_unique()
3329 r"""__str__(TriggerKey self) -> std::string"""
3330 return _IMP_kernel.TriggerKey___str__(self)
3333 r"""__repr__(TriggerKey self) -> std::string"""
3334 return _IMP_kernel.TriggerKey___repr__(self)
3335 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
3338 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
3340 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
3342 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3344 def __init__(self, *args):
3346 __init__(ParticleIndex self, int i) -> ParticleIndex
3347 __init__(ParticleIndex self) -> ParticleIndex
3349 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
3352 r"""get_index(ParticleIndex self) -> int"""
3353 return _IMP_kernel.ParticleIndex_get_index(self)
3355 def __cmp__(self, o):
3356 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
3357 return _IMP_kernel.ParticleIndex___cmp__(self, o)
3359 def __eq__(self, o):
3360 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
3361 return _IMP_kernel.ParticleIndex___eq__(self, o)
3363 def __ne__(self, o):
3364 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
3365 return _IMP_kernel.ParticleIndex___ne__(self, o)
3367 def __lt__(self, o):
3368 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
3369 return _IMP_kernel.ParticleIndex___lt__(self, o)
3371 def __gt__(self, o):
3372 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
3373 return _IMP_kernel.ParticleIndex___gt__(self, o)
3375 def __ge__(self, o):
3376 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
3377 return _IMP_kernel.ParticleIndex___ge__(self, o)
3379 def __le__(self, o):
3380 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
3381 return _IMP_kernel.ParticleIndex___le__(self, o)
3383 def show(self, *args):
3384 r"""show(ParticleIndex self, _ostream out=std::cout)"""
3385 return _IMP_kernel.ParticleIndex_show(self, *args)
3388 r"""__hash__(ParticleIndex self) -> std::size_t"""
3389 return _IMP_kernel.ParticleIndex___hash__(self)
3392 r"""__str__(ParticleIndex self) -> std::string"""
3393 return _IMP_kernel.ParticleIndex___str__(self)
3396 r"""__repr__(ParticleIndex self) -> std::string"""
3397 return _IMP_kernel.ParticleIndex___repr__(self)
3398 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
3401 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
3403 r"""Proxy of C++ IMP::Key< 10 > class."""
3405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3407 def __init__(self, *args):
3409 __init__(FloatsKey self) -> FloatsKey
3410 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
3411 __init__(FloatsKey self, unsigned int i) -> FloatsKey
3413 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
3417 r"""add_key(std::string sc) -> unsigned int"""
3418 return _IMP_kernel.FloatsKey_add_key(sc)
3421 def get_key_exists(sc):
3422 r"""get_key_exists(std::string sc) -> bool"""
3423 return _IMP_kernel.FloatsKey_get_key_exists(sc)
3425 def get_string(self):
3426 r"""get_string(FloatsKey self) -> std::string const"""
3427 return _IMP_kernel.FloatsKey_get_string(self)
3429 def __cmp__(self, o):
3430 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
3431 return _IMP_kernel.FloatsKey___cmp__(self, o)
3433 def __eq__(self, o):
3434 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
3435 return _IMP_kernel.FloatsKey___eq__(self, o)
3437 def __ne__(self, o):
3438 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
3439 return _IMP_kernel.FloatsKey___ne__(self, o)
3441 def __lt__(self, o):
3442 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
3443 return _IMP_kernel.FloatsKey___lt__(self, o)
3445 def __gt__(self, o):
3446 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
3447 return _IMP_kernel.FloatsKey___gt__(self, o)
3449 def __ge__(self, o):
3450 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
3451 return _IMP_kernel.FloatsKey___ge__(self, o)
3453 def __le__(self, o):
3454 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
3455 return _IMP_kernel.FloatsKey___le__(self, o)
3458 r"""__hash__(FloatsKey self) -> std::size_t"""
3459 return _IMP_kernel.FloatsKey___hash__(self)
3461 def show(self, *args):
3462 r"""show(FloatsKey self, _ostream out=std::cout)"""
3463 return _IMP_kernel.FloatsKey_show(self, *args)
3466 def add_alias(old_key, new_name):
3467 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
3468 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
3471 def get_number_of_keys():
3472 r"""get_number_of_keys() -> unsigned int"""
3473 return _IMP_kernel.FloatsKey_get_number_of_keys()
3476 r"""get_index(FloatsKey self) -> unsigned int"""
3477 return _IMP_kernel.FloatsKey_get_index(self)
3481 r"""show_all(_ostream out)"""
3482 return _IMP_kernel.FloatsKey_show_all(out)
3485 def get_all_strings():
3486 r"""get_all_strings() -> IMP::Vector< std::string >"""
3487 return _IMP_kernel.FloatsKey_get_all_strings()
3490 def get_number_unique():
3491 r"""get_number_unique() -> unsigned int"""
3492 return _IMP_kernel.FloatsKey_get_number_unique()
3495 r"""__str__(FloatsKey self) -> std::string"""
3496 return _IMP_kernel.FloatsKey___str__(self)
3499 r"""__repr__(FloatsKey self) -> std::string"""
3500 return _IMP_kernel.FloatsKey___repr__(self)
3501 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
3504 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
3506 r"""Proxy of C++ IMP::Key< 12 > class."""
3508 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3510 def __init__(self, *args):
3512 __init__(SparseStringKey self) -> SparseStringKey
3513 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
3514 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
3516 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
3520 r"""add_key(std::string sc) -> unsigned int"""
3521 return _IMP_kernel.SparseStringKey_add_key(sc)
3524 def get_key_exists(sc):
3525 r"""get_key_exists(std::string sc) -> bool"""
3526 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
3528 def get_string(self):
3529 r"""get_string(SparseStringKey self) -> std::string const"""
3530 return _IMP_kernel.SparseStringKey_get_string(self)
3532 def __cmp__(self, o):
3533 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
3534 return _IMP_kernel.SparseStringKey___cmp__(self, o)
3536 def __eq__(self, o):
3537 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
3538 return _IMP_kernel.SparseStringKey___eq__(self, o)
3540 def __ne__(self, o):
3541 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
3542 return _IMP_kernel.SparseStringKey___ne__(self, o)
3544 def __lt__(self, o):
3545 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3546 return _IMP_kernel.SparseStringKey___lt__(self, o)
3548 def __gt__(self, o):
3549 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3550 return _IMP_kernel.SparseStringKey___gt__(self, o)
3552 def __ge__(self, o):
3553 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3554 return _IMP_kernel.SparseStringKey___ge__(self, o)
3556 def __le__(self, o):
3557 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3558 return _IMP_kernel.SparseStringKey___le__(self, o)
3561 r"""__hash__(SparseStringKey self) -> std::size_t"""
3562 return _IMP_kernel.SparseStringKey___hash__(self)
3564 def show(self, *args):
3565 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3566 return _IMP_kernel.SparseStringKey_show(self, *args)
3569 def add_alias(old_key, new_name):
3570 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3571 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3574 def get_number_of_keys():
3575 r"""get_number_of_keys() -> unsigned int"""
3576 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3579 r"""get_index(SparseStringKey self) -> unsigned int"""
3580 return _IMP_kernel.SparseStringKey_get_index(self)
3584 r"""show_all(_ostream out)"""
3585 return _IMP_kernel.SparseStringKey_show_all(out)
3588 def get_all_strings():
3589 r"""get_all_strings() -> IMP::Vector< std::string >"""
3590 return _IMP_kernel.SparseStringKey_get_all_strings()
3593 def get_number_unique():
3594 r"""get_number_unique() -> unsigned int"""
3595 return _IMP_kernel.SparseStringKey_get_number_unique()
3598 r"""__str__(SparseStringKey self) -> std::string"""
3599 return _IMP_kernel.SparseStringKey___str__(self)
3602 r"""__repr__(SparseStringKey self) -> std::string"""
3603 return _IMP_kernel.SparseStringKey___repr__(self)
3604 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3607 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3609 r"""Proxy of C++ IMP::Key< 13 > class."""
3611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3613 def __init__(self, *args):
3615 __init__(SparseIntKey self) -> SparseIntKey
3616 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3617 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3619 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3623 r"""add_key(std::string sc) -> unsigned int"""
3624 return _IMP_kernel.SparseIntKey_add_key(sc)
3627 def get_key_exists(sc):
3628 r"""get_key_exists(std::string sc) -> bool"""
3629 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3631 def get_string(self):
3632 r"""get_string(SparseIntKey self) -> std::string const"""
3633 return _IMP_kernel.SparseIntKey_get_string(self)
3635 def __cmp__(self, o):
3636 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3637 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3639 def __eq__(self, o):
3640 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3641 return _IMP_kernel.SparseIntKey___eq__(self, o)
3643 def __ne__(self, o):
3644 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3645 return _IMP_kernel.SparseIntKey___ne__(self, o)
3647 def __lt__(self, o):
3648 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3649 return _IMP_kernel.SparseIntKey___lt__(self, o)
3651 def __gt__(self, o):
3652 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3653 return _IMP_kernel.SparseIntKey___gt__(self, o)
3655 def __ge__(self, o):
3656 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3657 return _IMP_kernel.SparseIntKey___ge__(self, o)
3659 def __le__(self, o):
3660 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3661 return _IMP_kernel.SparseIntKey___le__(self, o)
3664 r"""__hash__(SparseIntKey self) -> std::size_t"""
3665 return _IMP_kernel.SparseIntKey___hash__(self)
3667 def show(self, *args):
3668 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3669 return _IMP_kernel.SparseIntKey_show(self, *args)
3672 def add_alias(old_key, new_name):
3673 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3674 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3677 def get_number_of_keys():
3678 r"""get_number_of_keys() -> unsigned int"""
3679 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3682 r"""get_index(SparseIntKey self) -> unsigned int"""
3683 return _IMP_kernel.SparseIntKey_get_index(self)
3687 r"""show_all(_ostream out)"""
3688 return _IMP_kernel.SparseIntKey_show_all(out)
3691 def get_all_strings():
3692 r"""get_all_strings() -> IMP::Vector< std::string >"""
3693 return _IMP_kernel.SparseIntKey_get_all_strings()
3696 def get_number_unique():
3697 r"""get_number_unique() -> unsigned int"""
3698 return _IMP_kernel.SparseIntKey_get_number_unique()
3701 r"""__str__(SparseIntKey self) -> std::string"""
3702 return _IMP_kernel.SparseIntKey___str__(self)
3705 r"""__repr__(SparseIntKey self) -> std::string"""
3706 return _IMP_kernel.SparseIntKey___repr__(self)
3707 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3710 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3712 r"""Proxy of C++ IMP::Key< 14 > class."""
3714 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3716 def __init__(self, *args):
3718 __init__(SparseFloatKey self) -> SparseFloatKey
3719 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3720 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3722 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3726 r"""add_key(std::string sc) -> unsigned int"""
3727 return _IMP_kernel.SparseFloatKey_add_key(sc)
3730 def get_key_exists(sc):
3731 r"""get_key_exists(std::string sc) -> bool"""
3732 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3734 def get_string(self):
3735 r"""get_string(SparseFloatKey self) -> std::string const"""
3736 return _IMP_kernel.SparseFloatKey_get_string(self)
3738 def __cmp__(self, o):
3739 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3740 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3742 def __eq__(self, o):
3743 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3744 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3746 def __ne__(self, o):
3747 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3748 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3750 def __lt__(self, o):
3751 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3752 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3754 def __gt__(self, o):
3755 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3756 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3758 def __ge__(self, o):
3759 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3760 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3762 def __le__(self, o):
3763 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3764 return _IMP_kernel.SparseFloatKey___le__(self, o)
3767 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3768 return _IMP_kernel.SparseFloatKey___hash__(self)
3770 def show(self, *args):
3771 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3772 return _IMP_kernel.SparseFloatKey_show(self, *args)
3775 def add_alias(old_key, new_name):
3776 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3777 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3780 def get_number_of_keys():
3781 r"""get_number_of_keys() -> unsigned int"""
3782 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3785 r"""get_index(SparseFloatKey self) -> unsigned int"""
3786 return _IMP_kernel.SparseFloatKey_get_index(self)
3790 r"""show_all(_ostream out)"""
3791 return _IMP_kernel.SparseFloatKey_show_all(out)
3794 def get_all_strings():
3795 r"""get_all_strings() -> IMP::Vector< std::string >"""
3796 return _IMP_kernel.SparseFloatKey_get_all_strings()
3799 def get_number_unique():
3800 r"""get_number_unique() -> unsigned int"""
3801 return _IMP_kernel.SparseFloatKey_get_number_unique()
3804 r"""__str__(SparseFloatKey self) -> std::string"""
3805 return _IMP_kernel.SparseFloatKey___str__(self)
3808 r"""__repr__(SparseFloatKey self) -> std::string"""
3809 return _IMP_kernel.SparseFloatKey___repr__(self)
3810 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3813 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3815 r"""Proxy of C++ IMP::Key< 15 > class."""
3817 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3819 def __init__(self, *args):
3821 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3822 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3823 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3825 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3829 r"""add_key(std::string sc) -> unsigned int"""
3830 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3833 def get_key_exists(sc):
3834 r"""get_key_exists(std::string sc) -> bool"""
3835 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3837 def get_string(self):
3838 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3839 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3841 def __cmp__(self, o):
3842 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3843 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3845 def __eq__(self, o):
3846 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3847 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3849 def __ne__(self, o):
3850 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3851 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3853 def __lt__(self, o):
3854 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3855 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3857 def __gt__(self, o):
3858 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3859 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3861 def __ge__(self, o):
3862 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3863 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3865 def __le__(self, o):
3866 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3867 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3870 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3871 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3873 def show(self, *args):
3874 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3875 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3878 def add_alias(old_key, new_name):
3879 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3880 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3883 def get_number_of_keys():
3884 r"""get_number_of_keys() -> unsigned int"""
3885 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3888 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3889 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3893 r"""show_all(_ostream out)"""
3894 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3897 def get_all_strings():
3898 r"""get_all_strings() -> IMP::Vector< std::string >"""
3899 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3902 def get_number_unique():
3903 r"""get_number_unique() -> unsigned int"""
3904 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3907 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3908 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3911 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3912 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3913 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3916 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3918 r"""Proxy of C++ IMP::Key< 16 > 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__(Vector3DKey self) -> Vector3DKey
3925 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3926 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3928 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3932 r"""add_key(std::string sc) -> unsigned int"""
3933 return _IMP_kernel.Vector3DKey_add_key(sc)
3936 def get_key_exists(sc):
3937 r"""get_key_exists(std::string sc) -> bool"""
3938 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3940 def get_string(self):
3941 r"""get_string(Vector3DKey self) -> std::string const"""
3942 return _IMP_kernel.Vector3DKey_get_string(self)
3944 def __cmp__(self, o):
3945 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3946 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3948 def __eq__(self, o):
3949 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3950 return _IMP_kernel.Vector3DKey___eq__(self, o)
3952 def __ne__(self, o):
3953 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3954 return _IMP_kernel.Vector3DKey___ne__(self, o)
3956 def __lt__(self, o):
3957 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3958 return _IMP_kernel.Vector3DKey___lt__(self, o)
3960 def __gt__(self, o):
3961 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3962 return _IMP_kernel.Vector3DKey___gt__(self, o)
3964 def __ge__(self, o):
3965 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3966 return _IMP_kernel.Vector3DKey___ge__(self, o)
3968 def __le__(self, o):
3969 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3970 return _IMP_kernel.Vector3DKey___le__(self, o)
3973 r"""__hash__(Vector3DKey self) -> std::size_t"""
3974 return _IMP_kernel.Vector3DKey___hash__(self)
3976 def show(self, *args):
3977 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3978 return _IMP_kernel.Vector3DKey_show(self, *args)
3981 def add_alias(old_key, new_name):
3982 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3983 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3986 def get_number_of_keys():
3987 r"""get_number_of_keys() -> unsigned int"""
3988 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3991 r"""get_index(Vector3DKey self) -> unsigned int"""
3992 return _IMP_kernel.Vector3DKey_get_index(self)
3996 r"""show_all(_ostream out)"""
3997 return _IMP_kernel.Vector3DKey_show_all(out)
4000 def get_all_strings():
4001 r"""get_all_strings() -> IMP::Vector< std::string >"""
4002 return _IMP_kernel.Vector3DKey_get_all_strings()
4005 def get_number_unique():
4006 r"""get_number_unique() -> unsigned int"""
4007 return _IMP_kernel.Vector3DKey_get_number_unique()
4010 r"""__str__(Vector3DKey self) -> std::string"""
4011 return _IMP_kernel.Vector3DKey___str__(self)
4014 r"""__repr__(Vector3DKey self) -> std::string"""
4015 return _IMP_kernel.Vector3DKey___repr__(self)
4016 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
4019 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
4021 r"""Proxy of C++ IMP::Key< 17 > class."""
4023 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4025 def __init__(self, *args):
4027 __init__(Vector3DDerivKey self) -> Vector3DDerivKey
4028 __init__(Vector3DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DDerivKey
4029 __init__(Vector3DDerivKey self, unsigned int i) -> Vector3DDerivKey
4031 _IMP_kernel.Vector3DDerivKey_swiginit(self, _IMP_kernel.new_Vector3DDerivKey(*args))
4035 r"""add_key(std::string sc) -> unsigned int"""
4036 return _IMP_kernel.Vector3DDerivKey_add_key(sc)
4039 def get_key_exists(sc):
4040 r"""get_key_exists(std::string sc) -> bool"""
4041 return _IMP_kernel.Vector3DDerivKey_get_key_exists(sc)
4043 def get_string(self):
4044 r"""get_string(Vector3DDerivKey self) -> std::string const"""
4045 return _IMP_kernel.Vector3DDerivKey_get_string(self)
4047 def __cmp__(self, o):
4048 r"""__cmp__(Vector3DDerivKey self, Vector3DDerivKey o) -> int"""
4049 return _IMP_kernel.Vector3DDerivKey___cmp__(self, o)
4051 def __eq__(self, o):
4052 r"""__eq__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4053 return _IMP_kernel.Vector3DDerivKey___eq__(self, o)
4055 def __ne__(self, o):
4056 r"""__ne__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4057 return _IMP_kernel.Vector3DDerivKey___ne__(self, o)
4059 def __lt__(self, o):
4060 r"""__lt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4061 return _IMP_kernel.Vector3DDerivKey___lt__(self, o)
4063 def __gt__(self, o):
4064 r"""__gt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4065 return _IMP_kernel.Vector3DDerivKey___gt__(self, o)
4067 def __ge__(self, o):
4068 r"""__ge__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4069 return _IMP_kernel.Vector3DDerivKey___ge__(self, o)
4071 def __le__(self, o):
4072 r"""__le__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4073 return _IMP_kernel.Vector3DDerivKey___le__(self, o)
4076 r"""__hash__(Vector3DDerivKey self) -> std::size_t"""
4077 return _IMP_kernel.Vector3DDerivKey___hash__(self)
4079 def show(self, *args):
4080 r"""show(Vector3DDerivKey self, _ostream out=std::cout)"""
4081 return _IMP_kernel.Vector3DDerivKey_show(self, *args)
4084 def add_alias(old_key, new_name):
4085 r"""add_alias(Vector3DDerivKey old_key, std::string new_name) -> Vector3DDerivKey"""
4086 return _IMP_kernel.Vector3DDerivKey_add_alias(old_key, new_name)
4089 def get_number_of_keys():
4090 r"""get_number_of_keys() -> unsigned int"""
4091 return _IMP_kernel.Vector3DDerivKey_get_number_of_keys()
4094 r"""get_index(Vector3DDerivKey self) -> unsigned int"""
4095 return _IMP_kernel.Vector3DDerivKey_get_index(self)
4099 r"""show_all(_ostream out)"""
4100 return _IMP_kernel.Vector3DDerivKey_show_all(out)
4103 def get_all_strings():
4104 r"""get_all_strings() -> IMP::Vector< std::string >"""
4105 return _IMP_kernel.Vector3DDerivKey_get_all_strings()
4108 def get_number_unique():
4109 r"""get_number_unique() -> unsigned int"""
4110 return _IMP_kernel.Vector3DDerivKey_get_number_unique()
4113 r"""__str__(Vector3DDerivKey self) -> std::string"""
4114 return _IMP_kernel.Vector3DDerivKey___str__(self)
4117 r"""__repr__(Vector3DDerivKey self) -> std::string"""
4118 return _IMP_kernel.Vector3DDerivKey___repr__(self)
4119 __swig_destroy__ = _IMP_kernel.delete_Vector3DDerivKey
4122 _IMP_kernel.Vector3DDerivKey_swigregister(Vector3DDerivKey)
4124 r"""Proxy of C++ IMP::Key< 18 > class."""
4126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4128 def __init__(self, *args):
4130 __init__(Vector4DKey self) -> Vector4DKey
4131 __init__(Vector4DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DKey
4132 __init__(Vector4DKey self, unsigned int i) -> Vector4DKey
4134 _IMP_kernel.Vector4DKey_swiginit(self, _IMP_kernel.new_Vector4DKey(*args))
4138 r"""add_key(std::string sc) -> unsigned int"""
4139 return _IMP_kernel.Vector4DKey_add_key(sc)
4142 def get_key_exists(sc):
4143 r"""get_key_exists(std::string sc) -> bool"""
4144 return _IMP_kernel.Vector4DKey_get_key_exists(sc)
4146 def get_string(self):
4147 r"""get_string(Vector4DKey self) -> std::string const"""
4148 return _IMP_kernel.Vector4DKey_get_string(self)
4150 def __cmp__(self, o):
4151 r"""__cmp__(Vector4DKey self, Vector4DKey o) -> int"""
4152 return _IMP_kernel.Vector4DKey___cmp__(self, o)
4154 def __eq__(self, o):
4155 r"""__eq__(Vector4DKey self, Vector4DKey o) -> bool"""
4156 return _IMP_kernel.Vector4DKey___eq__(self, o)
4158 def __ne__(self, o):
4159 r"""__ne__(Vector4DKey self, Vector4DKey o) -> bool"""
4160 return _IMP_kernel.Vector4DKey___ne__(self, o)
4162 def __lt__(self, o):
4163 r"""__lt__(Vector4DKey self, Vector4DKey o) -> bool"""
4164 return _IMP_kernel.Vector4DKey___lt__(self, o)
4166 def __gt__(self, o):
4167 r"""__gt__(Vector4DKey self, Vector4DKey o) -> bool"""
4168 return _IMP_kernel.Vector4DKey___gt__(self, o)
4170 def __ge__(self, o):
4171 r"""__ge__(Vector4DKey self, Vector4DKey o) -> bool"""
4172 return _IMP_kernel.Vector4DKey___ge__(self, o)
4174 def __le__(self, o):
4175 r"""__le__(Vector4DKey self, Vector4DKey o) -> bool"""
4176 return _IMP_kernel.Vector4DKey___le__(self, o)
4179 r"""__hash__(Vector4DKey self) -> std::size_t"""
4180 return _IMP_kernel.Vector4DKey___hash__(self)
4182 def show(self, *args):
4183 r"""show(Vector4DKey self, _ostream out=std::cout)"""
4184 return _IMP_kernel.Vector4DKey_show(self, *args)
4187 def add_alias(old_key, new_name):
4188 r"""add_alias(Vector4DKey old_key, std::string new_name) -> Vector4DKey"""
4189 return _IMP_kernel.Vector4DKey_add_alias(old_key, new_name)
4192 def get_number_of_keys():
4193 r"""get_number_of_keys() -> unsigned int"""
4194 return _IMP_kernel.Vector4DKey_get_number_of_keys()
4197 r"""get_index(Vector4DKey self) -> unsigned int"""
4198 return _IMP_kernel.Vector4DKey_get_index(self)
4202 r"""show_all(_ostream out)"""
4203 return _IMP_kernel.Vector4DKey_show_all(out)
4206 def get_all_strings():
4207 r"""get_all_strings() -> IMP::Vector< std::string >"""
4208 return _IMP_kernel.Vector4DKey_get_all_strings()
4211 def get_number_unique():
4212 r"""get_number_unique() -> unsigned int"""
4213 return _IMP_kernel.Vector4DKey_get_number_unique()
4216 r"""__str__(Vector4DKey self) -> std::string"""
4217 return _IMP_kernel.Vector4DKey___str__(self)
4220 r"""__repr__(Vector4DKey self) -> std::string"""
4221 return _IMP_kernel.Vector4DKey___repr__(self)
4222 __swig_destroy__ = _IMP_kernel.delete_Vector4DKey
4225 _IMP_kernel.Vector4DKey_swigregister(Vector4DKey)
4227 r"""Proxy of C++ IMP::Key< 19 > class."""
4229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4231 def __init__(self, *args):
4233 __init__(Vector4DDerivKey self) -> Vector4DDerivKey
4234 __init__(Vector4DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DDerivKey
4235 __init__(Vector4DDerivKey self, unsigned int i) -> Vector4DDerivKey
4237 _IMP_kernel.Vector4DDerivKey_swiginit(self, _IMP_kernel.new_Vector4DDerivKey(*args))
4241 r"""add_key(std::string sc) -> unsigned int"""
4242 return _IMP_kernel.Vector4DDerivKey_add_key(sc)
4245 def get_key_exists(sc):
4246 r"""get_key_exists(std::string sc) -> bool"""
4247 return _IMP_kernel.Vector4DDerivKey_get_key_exists(sc)
4249 def get_string(self):
4250 r"""get_string(Vector4DDerivKey self) -> std::string const"""
4251 return _IMP_kernel.Vector4DDerivKey_get_string(self)
4253 def __cmp__(self, o):
4254 r"""__cmp__(Vector4DDerivKey self, Vector4DDerivKey o) -> int"""
4255 return _IMP_kernel.Vector4DDerivKey___cmp__(self, o)
4257 def __eq__(self, o):
4258 r"""__eq__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4259 return _IMP_kernel.Vector4DDerivKey___eq__(self, o)
4261 def __ne__(self, o):
4262 r"""__ne__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4263 return _IMP_kernel.Vector4DDerivKey___ne__(self, o)
4265 def __lt__(self, o):
4266 r"""__lt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4267 return _IMP_kernel.Vector4DDerivKey___lt__(self, o)
4269 def __gt__(self, o):
4270 r"""__gt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4271 return _IMP_kernel.Vector4DDerivKey___gt__(self, o)
4273 def __ge__(self, o):
4274 r"""__ge__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4275 return _IMP_kernel.Vector4DDerivKey___ge__(self, o)
4277 def __le__(self, o):
4278 r"""__le__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4279 return _IMP_kernel.Vector4DDerivKey___le__(self, o)
4282 r"""__hash__(Vector4DDerivKey self) -> std::size_t"""
4283 return _IMP_kernel.Vector4DDerivKey___hash__(self)
4285 def show(self, *args):
4286 r"""show(Vector4DDerivKey self, _ostream out=std::cout)"""
4287 return _IMP_kernel.Vector4DDerivKey_show(self, *args)
4290 def add_alias(old_key, new_name):
4291 r"""add_alias(Vector4DDerivKey old_key, std::string new_name) -> Vector4DDerivKey"""
4292 return _IMP_kernel.Vector4DDerivKey_add_alias(old_key, new_name)
4295 def get_number_of_keys():
4296 r"""get_number_of_keys() -> unsigned int"""
4297 return _IMP_kernel.Vector4DDerivKey_get_number_of_keys()
4300 r"""get_index(Vector4DDerivKey self) -> unsigned int"""
4301 return _IMP_kernel.Vector4DDerivKey_get_index(self)
4305 r"""show_all(_ostream out)"""
4306 return _IMP_kernel.Vector4DDerivKey_show_all(out)
4309 def get_all_strings():
4310 r"""get_all_strings() -> IMP::Vector< std::string >"""
4311 return _IMP_kernel.Vector4DDerivKey_get_all_strings()
4314 def get_number_unique():
4315 r"""get_number_unique() -> unsigned int"""
4316 return _IMP_kernel.Vector4DDerivKey_get_number_unique()
4319 r"""__str__(Vector4DDerivKey self) -> std::string"""
4320 return _IMP_kernel.Vector4DDerivKey___str__(self)
4323 r"""__repr__(Vector4DDerivKey self) -> std::string"""
4324 return _IMP_kernel.Vector4DDerivKey___repr__(self)
4325 __swig_destroy__ = _IMP_kernel.delete_Vector4DDerivKey
4328 _IMP_kernel.Vector4DDerivKey_swigregister(Vector4DDerivKey)
4337 class FloatIndex(_Value):
4338 r"""Proxy of C++ IMP::FloatIndex class."""
4340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4342 def __init__(self, *args):
4343 r"""__init__(FloatIndex self, ParticleIndex i0=ParticleIndex(), FloatKey i1=FloatKey()) -> FloatIndex"""
4344 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
4347 r"""__hash__(FloatIndex self) -> std::size_t"""
4348 return _IMP_kernel.FloatIndex___hash__(self)
4350 def show(self, *args):
4351 r"""show(FloatIndex self, _ostream out=std::cout)"""
4352 return _IMP_kernel.FloatIndex_show(self, *args)
4354 def __cmp__(self, o):
4355 r"""__cmp__(FloatIndex self, FloatIndex o) -> int"""
4356 return _IMP_kernel.FloatIndex___cmp__(self, o)
4358 def __eq__(self, o):
4359 r"""__eq__(FloatIndex self, FloatIndex o) -> bool"""
4360 return _IMP_kernel.FloatIndex___eq__(self, o)
4362 def __ne__(self, o):
4363 r"""__ne__(FloatIndex self, FloatIndex o) -> bool"""
4364 return _IMP_kernel.FloatIndex___ne__(self, o)
4366 def __lt__(self, o):
4367 r"""__lt__(FloatIndex self, FloatIndex o) -> bool"""
4368 return _IMP_kernel.FloatIndex___lt__(self, o)
4370 def __gt__(self, o):
4371 r"""__gt__(FloatIndex self, FloatIndex o) -> bool"""
4372 return _IMP_kernel.FloatIndex___gt__(self, o)
4374 def __ge__(self, o):
4375 r"""__ge__(FloatIndex self, FloatIndex o) -> bool"""
4376 return _IMP_kernel.FloatIndex___ge__(self, o)
4378 def __le__(self, o):
4379 r"""__le__(FloatIndex self, FloatIndex o) -> bool"""
4380 return _IMP_kernel.FloatIndex___le__(self, o)
4382 def get_particle(self):
4383 r"""get_particle(FloatIndex self) -> ParticleIndex const &"""
4384 return _IMP_kernel.FloatIndex_get_particle(self)
4386 def set_particle(self, v):
4387 r"""set_particle(FloatIndex self, ParticleIndex const & v)"""
4388 return _IMP_kernel.FloatIndex_set_particle(self, v)
4391 r"""get_key(FloatIndex self) -> FloatKey const &"""
4392 return _IMP_kernel.FloatIndex_get_key(self)
4394 def set_key(self, v):
4395 r"""set_key(FloatIndex self, FloatKey const & v)"""
4396 return _IMP_kernel.FloatIndex_set_key(self, v)
4399 r"""__str__(FloatIndex self) -> std::string"""
4400 return _IMP_kernel.FloatIndex___str__(self)
4403 r"""__repr__(FloatIndex self) -> std::string"""
4404 return _IMP_kernel.FloatIndex___repr__(self)
4405 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
4408 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
4409 class _ParticleIndexTag(object):
4410 r"""Proxy of C++ IMP::ParticleIndexTag class."""
4412 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4413 __repr__ = _swig_repr
4416 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
4417 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
4418 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
4421 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
4422 class ModelObject(
Object):
4423 r"""Proxy of C++ IMP::ModelObject class."""
4425 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4427 def __init__(self, *args):
4429 __init__(ModelObject self, Model m, std::string name) -> ModelObject
4430 __init__(ModelObject self) -> ModelObject
4432 if self.__class__ == ModelObject:
4436 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
4438 if self.__class__ != ModelObject:
4439 _director_objects.register(self)
4443 __swig_destroy__ = _IMP_kernel.delete_ModelObject
4445 def get_model(self):
4446 m = _IMP_kernel.ModelObject_get_model(self)
4447 if m
in _models_set:
4448 m = _models_set_get(m)
4453 def get_inputs(self):
4454 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4455 return _IMP_kernel.ModelObject_get_inputs(self)
4457 def get_outputs(self):
4458 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4459 return _IMP_kernel.ModelObject_get_outputs(self)
4461 def get_interactions(self):
4462 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4463 return _IMP_kernel.ModelObject_get_interactions(self)
4465 def get_has_dependencies(self):
4466 r"""get_has_dependencies(ModelObject self) -> bool"""
4467 return _IMP_kernel.ModelObject_get_has_dependencies(self)
4469 def set_has_dependencies(self, tf):
4470 r"""set_has_dependencies(ModelObject self, bool tf)"""
4471 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
4473 def set_has_required_score_states(self, tf):
4474 r"""set_has_required_score_states(ModelObject self, bool tf)"""
4475 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
4477 def get_has_required_score_states(self):
4478 r"""get_has_required_score_states(ModelObject self) -> bool"""
4479 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
4481 def get_required_score_states(self):
4482 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
4483 return _IMP_kernel.ModelObject_get_required_score_states(self)
4485 def handle_set_has_required_score_states(self, arg0):
4486 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
4487 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
4489 def do_get_inputs(self):
4490 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4491 return _IMP_kernel.ModelObject_do_get_inputs(self)
4493 def do_get_outputs(self):
4494 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4495 return _IMP_kernel.ModelObject_do_get_outputs(self)
4497 def do_get_interactions(self):
4498 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4499 return _IMP_kernel.ModelObject_do_get_interactions(self)
4502 r"""__str__(ModelObject self) -> std::string"""
4503 return _IMP_kernel.ModelObject___str__(self)
4506 r"""__repr__(ModelObject self) -> std::string"""
4507 return _IMP_kernel.ModelObject___repr__(self)
4511 return _object_cast_to_ModelObject(o)
4514 def do_show(self, out):
4519 return _object_cast_to_ModelObject(o)
4521 def __disown__(self):
4523 _IMP_kernel.disown_ModelObject(self)
4524 return weakref.proxy(self)
4527 r"""do_destroy(ModelObject self)"""
4528 return _IMP_kernel.ModelObject_do_destroy(self)
4531 _IMP_kernel.ModelObject_swigregister(ModelObject)
4532 cvar = _IMP_kernel.cvar
4533 NO_MAX = cvar.NO_MAX
4534 BAD_SCORE = cvar.BAD_SCORE
4536 class _ParticleInputs(object):
4537 r"""Proxy of C++ IMP::ParticleInputs class."""
4539 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4541 def __init__(self, *args, **kwargs):
4542 raise AttributeError(
"No constructor defined - class is abstract")
4543 __repr__ = _swig_repr
4545 def get_inputs(self, m, pis):
4546 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4547 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
4550 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
4551 class _ParticleOutputs(object):
4552 r"""Proxy of C++ IMP::ParticleOutputs class."""
4554 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4556 def __init__(self, *args, **kwargs):
4557 raise AttributeError(
"No constructor defined - class is abstract")
4558 __repr__ = _swig_repr
4560 def get_outputs(self, m, pis):
4561 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4562 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
4565 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
4568 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4569 return _IMP_kernel.get_input_particles(mos)
4572 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4573 return _IMP_kernel.get_input_containers(mos)
4576 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4577 return _IMP_kernel.get_output_particles(mos)
4580 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4581 return _IMP_kernel.get_output_containers(mos)
4584 _plural_types.append(
"Vector1Ds")
4585 _value_types.append(
"Vector1D")
4589 _plural_types.append(
"Vector2Ds")
4590 _value_types.append(
"Vector2D")
4594 _plural_types.append(
"Vector3Ds")
4595 _value_types.append(
"Vector3D")
4599 _plural_types.append(
"Vector4Ds")
4600 _value_types.append(
"Vector4D")
4604 _plural_types.append(
"Vector5Ds")
4605 _value_types.append(
"Vector5D")
4609 _plural_types.append(
"Vector6Ds")
4610 _value_types.append(
"Vector6D")
4614 _plural_types.append(
"Vector1Ds")
4615 _value_types.append(
"VectorD<1>")
4619 _plural_types.append(
"Vector2Ds")
4620 _value_types.append(
"VectorD<2>")
4624 _plural_types.append(
"Vector3Ds")
4625 _value_types.append(
"VectorD<3>")
4629 _plural_types.append(
"Vector4Ds")
4630 _value_types.append(
"VectorD<4>")
4634 _plural_types.append(
"Vector5Ds")
4635 _value_types.append(
"VectorD<5>")
4639 _plural_types.append(
"Vector6Ds")
4640 _value_types.append(
"VectorD<6>")
4644 _plural_types.append(
"VectorKDs")
4645 _value_types.append(
"VectorKD")
4649 _plural_types.append(
"VectorKDs")
4650 _value_types.append(
"VectorD<-1>")
4654 r"""get_basis_vector_kd(int D, unsigned int coordinate) -> VectorKD"""
4655 return _IMP_kernel.get_basis_vector_kd(D, coordinate)
4658 r"""get_zero_vector_kd(int D) -> VectorKD"""
4659 return _IMP_kernel.get_zero_vector_kd(D)
4662 r"""get_ones_vector_kd(unsigned int D, double v=1) -> VectorKD"""
4663 return _IMP_kernel.get_ones_vector_kd(D, v)
4666 r"""get_vector_product(Vector3D p1, Vector3D p2) -> Vector3D"""
4667 return _IMP_kernel.get_vector_product(p1, p2)
4670 r"""get_orthogonal_vector(Vector3D v) -> Vector3D"""
4671 return _IMP_kernel.get_orthogonal_vector(v)
4674 r"""get_centroid(IMP::Vector3Ds const & ps) -> Vector3D"""
4675 return _IMP_kernel.get_centroid(ps)
4678 r"""get_radius_of_gyration(IMP::Vector3Ds const & ps) -> double"""
4679 return _IMP_kernel.get_radius_of_gyration(ps)
4680 class DerivativeAccumulator(object):
4681 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
4683 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4684 __repr__ = _swig_repr
4686 def __init__(self, *args):
4688 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
4689 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
4690 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
4692 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
4694 def __call__(self, *args):
4696 __call__(DerivativeAccumulator self, double const value) -> double
4697 __call__(DerivativeAccumulator self, Vector3D value) -> Vector3D
4698 __call__(DerivativeAccumulator self, Vector4D value) -> Vector4D
4700 return _IMP_kernel.DerivativeAccumulator___call__(self, *args)
4702 def get_weight(self):
4703 r"""get_weight(DerivativeAccumulator self) -> double"""
4704 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
4706 def show(self, *args):
4707 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
4708 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
4709 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
4712 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
4713 class EvaluationState(object):
4714 r"""Proxy of C++ IMP::EvaluationState class."""
4716 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4717 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
4718 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
4720 def __init__(self, *args):
4722 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
4723 __init__(EvaluationState self) -> EvaluationState
4725 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
4727 def show(self, *args):
4728 r"""show(EvaluationState self, _ostream out=std::cout)"""
4729 return _IMP_kernel.EvaluationState_show(self, *args)
4732 r"""__str__(EvaluationState self) -> std::string"""
4733 return _IMP_kernel.EvaluationState___str__(self)
4736 r"""__repr__(EvaluationState self) -> std::string"""
4737 return _IMP_kernel.EvaluationState___repr__(self)
4738 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
4741 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
4742 class ScoreAccumulator(_Value):
4743 r"""Proxy of C++ IMP::ScoreAccumulator class."""
4745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4747 def __init__(self, *args):
4749 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
4750 __init__(ScoreAccumulator self) -> ScoreAccumulator
4751 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
4752 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
4754 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
4756 def add_score(self, score):
4757 r"""add_score(ScoreAccumulator self, double score)"""
4758 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
4760 def get_abort_evaluation(self):
4761 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
4762 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
4764 def get_is_evaluate_if_below(self):
4765 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
4766 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
4768 def get_is_evaluate_if_good(self):
4769 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
4770 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
4772 def get_maximum(self):
4773 r"""get_maximum(ScoreAccumulator self) -> double"""
4774 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
4776 def get_derivative_accumulator(self):
4777 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
4778 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
4780 def show(self, *args):
4781 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
4782 return _IMP_kernel.ScoreAccumulator_show(self, *args)
4785 r"""__str__(ScoreAccumulator self) -> std::string"""
4786 return _IMP_kernel.ScoreAccumulator___str__(self)
4789 r"""__repr__(ScoreAccumulator self) -> std::string"""
4790 return _IMP_kernel.ScoreAccumulator___repr__(self)
4791 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
4794 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
4795 class ScoreState(ModelObject):
4796 r"""Proxy of C++ IMP::ScoreState class."""
4798 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4800 def set_can_skip(self, can_skip):
4801 r"""set_can_skip(ScoreState self, bool can_skip)"""
4802 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
4804 def __init__(self, *args):
4806 __init__(ScoreState self, Model m, std::string name) -> ScoreState
4807 __init__(ScoreState self) -> ScoreState
4809 if self.__class__ == ScoreState:
4813 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
4815 if self.__class__ != ScoreState:
4816 _director_objects.register(self)
4821 def before_evaluate(self):
4822 r"""before_evaluate(ScoreState self)"""
4823 return _IMP_kernel.ScoreState_before_evaluate(self)
4825 def after_evaluate(self, accpt):
4826 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4827 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
4829 def get_can_skip(self):
4830 r"""get_can_skip(ScoreState self) -> bool"""
4831 return _IMP_kernel.ScoreState_get_can_skip(self)
4833 def get_has_update_order(self):
4834 r"""get_has_update_order(ScoreState self) -> bool"""
4835 return _IMP_kernel.ScoreState_get_has_update_order(self)
4838 r"""get_update_order(ScoreState self) -> unsigned int"""
4839 return _IMP_kernel.ScoreState_get_update_order(self)
4841 def handle_set_has_required_score_states(self, tf):
4842 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
4843 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
4845 def do_before_evaluate(self):
4846 r"""do_before_evaluate(ScoreState self)"""
4847 return _IMP_kernel.ScoreState_do_before_evaluate(self)
4849 def do_after_evaluate(self, accpt):
4850 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4851 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
4852 __swig_destroy__ = _IMP_kernel.delete_ScoreState
4855 r"""__str__(ScoreState self) -> std::string"""
4856 return _IMP_kernel.ScoreState___str__(self)
4859 r"""__repr__(ScoreState self) -> std::string"""
4860 return _IMP_kernel.ScoreState___repr__(self)
4864 return _object_cast_to_ScoreState(o)
4867 def do_show(self, out):
4872 return _object_cast_to_ScoreState(o)
4875 def _wrap_jax(self, apply_func, keys=None):
4876 """Create the return value for _get_jax.
4877 Use this method in _get_jax() to wrap the JAX apply function
4878 with other model- and ScoreState-specific information.
4880 @param apply_func A function implemented using JAX that takes
4881 a single argument (the current JAX Model) and returns
4882 a new JAX Model with the ScoreState's transformation
4884 @param keys If given, a set of IMP::Key objects describing Model
4885 attributes (other than xyz and radius) that the ScoreState
4888 from IMP._jax_util
import JAXScoreStateInfo
4889 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
4893 """Return a JAX implementation of this ScoreState.
4894 Implement this method in a ScoreState subclass to provide
4895 an equivalent function using [JAX](https://docs.jax.dev/)
4896 that modifies the JAX Model. See also _wrap_jax.
4898 raise NotImplementedError(
4899 f
"No JAX implementation for {self} ({type(self)})")
4901 def __disown__(self):
4903 _IMP_kernel.disown_ScoreState(self)
4904 return weakref.proxy(self)
4907 r"""do_destroy(ScoreState self)"""
4908 return _IMP_kernel.ScoreState_do_destroy(self)
4910 def do_get_inputs(self):
4911 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4912 return _IMP_kernel.ScoreState_do_get_inputs(self)
4914 def do_get_outputs(self):
4915 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4916 return _IMP_kernel.ScoreState_do_get_outputs(self)
4918 def do_get_interactions(self):
4919 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
4920 return _IMP_kernel.ScoreState_do_get_interactions(self)
4923 _IMP_kernel.ScoreState_swigregister(ScoreState)
4926 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
4927 return _IMP_kernel.get_update_order(input)
4928 class Constraint(ScoreState):
4929 r"""Proxy of C++ IMP::Constraint class."""
4931 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4933 def __init__(self, *args):
4935 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
4936 __init__(Constraint self) -> Constraint
4938 if self.__class__ == Constraint:
4942 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
4944 if self.__class__ != Constraint:
4945 _director_objects.register(self)
4950 def do_update_attributes(self):
4951 r"""do_update_attributes(Constraint self)"""
4952 return _IMP_kernel.Constraint_do_update_attributes(self)
4954 def do_update_derivatives(self, da):
4955 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4956 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4958 def do_before_evaluate(self):
4959 r"""do_before_evaluate(Constraint self)"""
4960 return _IMP_kernel.Constraint_do_before_evaluate(self)
4962 def do_after_evaluate(self, da):
4963 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4964 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4965 __swig_destroy__ = _IMP_kernel.delete_Constraint
4968 r"""__str__(Constraint self) -> std::string"""
4969 return _IMP_kernel.Constraint___str__(self)
4972 r"""__repr__(Constraint self) -> std::string"""
4973 return _IMP_kernel.Constraint___repr__(self)
4977 return _object_cast_to_Constraint(o)
4980 def do_show(self, out):
4985 return _object_cast_to_Constraint(o)
4987 def __disown__(self):
4989 _IMP_kernel.disown_Constraint(self)
4990 return weakref.proxy(self)
4993 r"""do_destroy(Constraint self)"""
4994 return _IMP_kernel.Constraint_do_destroy(self)
4996 def do_get_inputs(self):
4997 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4998 return _IMP_kernel.Constraint_do_get_inputs(self)
5000 def do_get_outputs(self):
5001 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
5002 return _IMP_kernel.Constraint_do_get_outputs(self)
5004 def do_get_interactions(self):
5005 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
5006 return _IMP_kernel.Constraint_do_get_interactions(self)
5009 _IMP_kernel.Constraint_swigregister(Constraint)
5010 class Container(ModelObject):
5011 r"""Proxy of C++ IMP::Container class."""
5013 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5015 def __init__(self, *args):
5017 __init__(Container self, Model m, std::string name="Container %1%") -> Container
5018 __init__(Container self) -> Container
5020 if self.__class__ == Container:
5024 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
5026 if self.__class__ != Container:
5027 _director_objects.register(self)
5032 def do_get_contents_hash(self):
5033 r"""do_get_contents_hash(Container self) -> std::size_t"""
5034 return _IMP_kernel.Container_do_get_contents_hash(self)
5036 def get_all_possible_indexes(self):
5037 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
5038 return _IMP_kernel.Container_get_all_possible_indexes(self)
5040 def get_contents_hash(self):
5041 r"""get_contents_hash(Container self) -> std::size_t"""
5042 return _IMP_kernel.Container_get_contents_hash(self)
5044 def do_get_outputs(self):
5045 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
5046 return _IMP_kernel.Container_do_get_outputs(self)
5048 def get_is_decomposable(self):
5049 r"""get_is_decomposable(Container self) -> bool"""
5050 return _IMP_kernel.Container_get_is_decomposable(self)
5052 def validate_readable(self):
5053 r"""validate_readable(Container self)"""
5054 return _IMP_kernel.Container_validate_readable(self)
5056 def validate_writable(self):
5057 r"""validate_writable(Container self)"""
5058 return _IMP_kernel.Container_validate_writable(self)
5060 def set_is_readable(self, tf):
5061 r"""set_is_readable(Container self, bool tf)"""
5062 return _IMP_kernel.Container_set_is_readable(self, tf)
5064 def set_is_writable(self, tf):
5065 r"""set_is_writable(Container self, bool tf)"""
5066 return _IMP_kernel.Container_set_is_writable(self, tf)
5067 __swig_destroy__ = _IMP_kernel.delete_Container
5070 r"""__str__(Container self) -> std::string"""
5071 return _IMP_kernel.Container___str__(self)
5074 r"""__repr__(Container self) -> std::string"""
5075 return _IMP_kernel.Container___repr__(self)
5079 return _object_cast_to_Container(o)
5082 def do_show(self, out):
5087 return _object_cast_to_Container(o)
5089 def __disown__(self):
5091 _IMP_kernel.disown_Container(self)
5092 return weakref.proxy(self)
5095 r"""do_destroy(Container self)"""
5096 return _IMP_kernel.Container_do_destroy(self)
5098 def handle_set_has_required_score_states(self, arg0):
5099 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
5100 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
5102 def do_get_inputs(self):
5103 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
5104 return _IMP_kernel.Container_do_get_inputs(self)
5106 def do_get_interactions(self):
5107 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
5108 return _IMP_kernel.Container_do_get_interactions(self)
5111 _IMP_kernel.Container_swigregister(Container)
5112 class RestraintInfo(
Object):
5113 r"""Proxy of C++ IMP::RestraintInfo class."""
5115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5117 def __init__(self, *args):
5118 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
5119 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
5122 r"""clear(RestraintInfo self)"""
5123 return _IMP_kernel.RestraintInfo_clear(self)
5125 def add_int(self, key, value):
5126 r"""add_int(RestraintInfo self, std::string key, int value)"""
5127 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
5129 def get_number_of_int(self):
5130 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
5131 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
5133 def get_int_key(self, i):
5134 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
5135 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
5137 def get_int_value(self, i):
5138 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
5139 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
5141 def add_float(self, key, value):
5142 r"""add_float(RestraintInfo self, std::string key, double value)"""
5143 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
5145 def get_number_of_float(self):
5146 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
5147 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
5149 def get_float_key(self, i):
5150 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
5151 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
5153 def get_float_value(self, i):
5154 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
5155 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
5157 def add_string(self, key, value):
5158 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
5159 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
5161 def get_number_of_string(self):
5162 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
5163 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
5165 def get_string_key(self, i):
5166 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
5167 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
5169 def get_string_value(self, i):
5170 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
5171 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
5173 def add_filename(self, key, value):
5174 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
5175 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
5177 def get_number_of_filename(self):
5178 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
5179 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
5181 def get_filename_key(self, i):
5182 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
5183 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
5185 def get_filename_value(self, i):
5186 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
5187 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
5189 def add_floats(self, key, value):
5190 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
5191 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
5193 def get_number_of_floats(self):
5194 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
5195 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
5197 def get_floats_key(self, i):
5198 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
5199 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
5201 def get_floats_value(self, i):
5202 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
5203 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
5205 def add_ints(self, key, value):
5206 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
5207 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
5209 def get_number_of_ints(self):
5210 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
5211 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
5213 def get_ints_key(self, i):
5214 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
5215 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
5217 def get_ints_value(self, i):
5218 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
5219 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
5221 def add_strings(self, key, value):
5222 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
5223 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
5225 def get_number_of_strings(self):
5226 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
5227 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
5229 def get_strings_key(self, i):
5230 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
5231 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
5233 def get_strings_value(self, i):
5234 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5235 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
5237 def add_filenames(self, key, value):
5238 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
5239 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
5241 def get_number_of_filenames(self):
5242 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
5243 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
5245 def get_filenames_key(self, i):
5246 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
5247 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
5249 def get_filenames_value(self, i):
5250 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5251 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
5253 def add_particle_indexes(self, key, value):
5254 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
5255 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
5257 def get_number_of_particle_indexes(self):
5258 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
5259 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
5261 def get_particle_indexes_key(self, i):
5262 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
5263 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
5265 def get_particle_indexes_value(self, i):
5266 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
5267 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
5270 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
5271 return _IMP_kernel.RestraintInfo_get_version_info(self)
5272 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
5275 r"""__str__(RestraintInfo self) -> std::string"""
5276 return _IMP_kernel.RestraintInfo___str__(self)
5279 r"""__repr__(RestraintInfo self) -> std::string"""
5280 return _IMP_kernel.RestraintInfo___repr__(self)
5284 return _object_cast_to_RestraintInfo(o)
5288 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
5289 class Restraint(ModelObject):
5290 r"""Proxy of C++ IMP::Restraint class."""
5292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5294 def __init__(self, *args):
5296 __init__(Restraint self, Model m, std::string name) -> Restraint
5297 __init__(Restraint self) -> Restraint
5299 if self.__class__ == Restraint:
5303 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
5305 if self.__class__ != Restraint:
5306 _director_objects.register(self)
5311 def get_score(self):
5312 r"""get_score(Restraint self) -> double"""
5313 return _IMP_kernel.Restraint_get_score(self)
5315 def evaluate(self, calc_derivs):
5316 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
5317 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
5319 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
5320 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5321 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
5323 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
5324 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5325 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
5327 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
5328 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5329 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
5331 def evaluate_if_good(self, calc_derivatives):
5332 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
5333 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
5335 def evaluate_if_below(self, calc_derivatives, max):
5336 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
5337 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
5339 def unprotected_evaluate(self, da):
5340 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
5341 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
5343 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
5344 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5345 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
5347 def unprotected_evaluate_if_good(self, da, max):
5348 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
5349 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
5351 def unprotected_evaluate_if_below(self, da, max):
5352 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
5353 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
5355 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
5356 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5357 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
5359 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
5360 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5361 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
5363 def get_static_info(self):
5364 r"""get_static_info(Restraint self) -> RestraintInfo"""
5365 return _IMP_kernel.Restraint_get_static_info(self)
5367 def get_dynamic_info(self):
5368 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
5369 return _IMP_kernel.Restraint_get_dynamic_info(self)
5371 def add_score_and_derivatives(self, sa):
5372 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5373 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
5375 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5376 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5377 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5380 r"""create_decomposition(Restraint self) -> Restraint"""
5381 return _IMP_kernel.Restraint_create_decomposition(self)
5383 def create_current_decomposition(self):
5384 r"""create_current_decomposition(Restraint self) -> Restraint"""
5385 return _IMP_kernel.Restraint_create_current_decomposition(self)
5387 def set_weight(self, weight):
5388 r"""set_weight(Restraint self, IMP::Float weight)"""
5389 return _IMP_kernel.Restraint_set_weight(self, weight)
5391 def get_weight(self):
5392 r"""get_weight(Restraint self) -> IMP::Float"""
5393 return _IMP_kernel.Restraint_get_weight(self)
5395 def get_maximum_score(self):
5396 r"""get_maximum_score(Restraint self) -> double"""
5397 return _IMP_kernel.Restraint_get_maximum_score(self)
5399 def set_maximum_score(self, s):
5400 r"""set_maximum_score(Restraint self, double s)"""
5401 return _IMP_kernel.Restraint_set_maximum_score(self, s)
5404 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
5405 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
5407 def set_last_score(self, s):
5408 r"""set_last_score(Restraint self, double s)"""
5409 return _IMP_kernel.Restraint_set_last_score(self, s)
5411 def set_last_last_score(self, s):
5412 r"""set_last_last_score(Restraint self, double s)"""
5413 return _IMP_kernel.Restraint_set_last_last_score(self, s)
5415 def get_last_score(self):
5416 r"""get_last_score(Restraint self) -> double"""
5417 return _IMP_kernel.Restraint_get_last_score(self)
5419 def get_last_last_score(self):
5420 r"""get_last_last_score(Restraint self) -> double"""
5421 return _IMP_kernel.Restraint_get_last_last_score(self)
5423 def get_is_aggregate(self):
5424 r"""get_is_aggregate(Restraint self) -> bool"""
5425 return _IMP_kernel.Restraint_get_is_aggregate(self)
5427 def get_was_good(self):
5428 r"""get_was_good(Restraint self) -> bool"""
5429 return _IMP_kernel.Restraint_get_was_good(self)
5430 __swig_destroy__ = _IMP_kernel.delete_Restraint
5432 def do_create_decomposition(self):
5433 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
5434 return _IMP_kernel.Restraint_do_create_decomposition(self)
5436 def do_create_current_decomposition(self):
5437 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
5438 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
5440 def do_add_score_and_derivatives(self, sa):
5441 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5442 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
5444 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5445 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5446 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5448 def do_get_outputs(self):
5449 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
5450 return _IMP_kernel.Restraint_do_get_outputs(self)
5451 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
5454 r"""__str__(Restraint self) -> std::string"""
5455 return _IMP_kernel.Restraint___str__(self)
5458 r"""__repr__(Restraint self) -> std::string"""
5459 return _IMP_kernel.Restraint___repr__(self)
5463 return _object_cast_to_Restraint(o)
5466 def do_show(self, out):
5471 return _object_cast_to_Restraint(o)
5474 def _wrap_jax(self, score_func, keys=None):
5475 """Create the return value for _get_jax.
5476 Use this method in _get_jax() to wrap the JAX scoring function
5477 with other model- and restraint-specific information.
5479 @param score_func A function implemented using JAX that takes
5480 a single argument (the current JAX Model) and returns
5481 the score of the restraint.
5482 @param keys If given, a set of IMP::Key objects describing Model
5483 attributes (other than xyz and radius) that the restraint
5484 uses. For example, a restraint that uses electrostatic charge
5485 would pass IMP::atom::Charged::get_charge_key() here.
5487 from IMP._jax_util
import JAXRestraintInfo
5488 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
5489 weight=self.get_weight(), keys=keys)
5492 """Return a JAX implementation of this Restraint.
5493 Implement this method in a Restraint subclass to provide
5494 an equivalent function using [JAX](https://docs.jax.dev/)
5495 that scores the current JAX Model. See also _wrap_jax.
5497 raise NotImplementedError(
5498 f
"No JAX implementation for {self} ({type(self)})")
5500 def _evaluate_jax(self):
5501 """Similar to evaluate(False), but using JAX.
5502 This is intended to be useful for testing purposes. It will likely
5503 not be particularly fast as it will copy the IMP Model and
5504 jax.jit-compile the scoring function each time."""
5506 ji = self._get_jax()
5507 jm = ji.get_jax_model()
5508 j = jax.jit(ji.score_func)
5511 def __disown__(self):
5513 _IMP_kernel.disown_Restraint(self)
5514 return weakref.proxy(self)
5517 r"""do_destroy(Restraint self)"""
5518 return _IMP_kernel.Restraint_do_destroy(self)
5520 def handle_set_has_required_score_states(self, arg0):
5521 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
5522 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
5524 def do_get_inputs(self):
5525 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
5526 return _IMP_kernel.Restraint_do_get_inputs(self)
5528 def do_get_interactions(self):
5529 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
5530 return _IMP_kernel.Restraint_do_get_interactions(self)
5533 _IMP_kernel.Restraint_swigregister(Restraint)
5534 class _RestraintsAdaptor(_InputAdaptor):
5535 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
5537 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5538 __repr__ = _swig_repr
5540 def __init__(self, *args):
5542 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
5543 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
5544 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
5545 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
5547 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
5548 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
5551 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
5552 class RestraintSet(Restraint):
5553 r"""Proxy of C++ IMP::RestraintSet class."""
5555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5557 def __init__(self, *args):
5559 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5560 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
5561 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5562 __init__(RestraintSet self) -> RestraintSet
5564 if self.__class__ == RestraintSet:
5568 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
5570 if self.__class__ != RestraintSet:
5571 _director_objects.register(self)
5576 def unprotected_evaluate(self, da):
5577 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
5578 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
5580 def get_type_name(self):
5581 r"""get_type_name(RestraintSet self) -> std::string"""
5582 return _IMP_kernel.RestraintSet_get_type_name(self)
5585 r"""get_version_info(RestraintSet self) -> VersionInfo"""
5586 return _IMP_kernel.RestraintSet_get_version_info(self)
5587 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
5588 def __get_restraints(self):
return _list_util.VarList(getdimfunc=self.get_number_of_restraints, getfunc=self.get_restraint, erasefunc=self.erase_restraint, appendfunc=self.add_restraint, extendfunc=self.add_restraints, clearfunc=self.clear_restraints, indexfunc=self._python_index_restraint)
5589 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
5590 def __del_restraints(self): _list_util.del_varlist(self.restraints)
5591 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
5593 def remove_restraint(self, d):
5594 r"""remove_restraint(RestraintSet self, Restraint d)"""
5595 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
5597 def _python_index_restraint(self, d, start, stop):
5598 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
5599 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
5601 def remove_restraints(self, d):
5602 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
5603 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
5605 def set_restraints(self, ps):
5606 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
5607 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
5609 def set_restraints_order(self, objs):
5610 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
5611 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
5614 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
5615 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
5618 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
5619 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
5621 def clear_restraints(self):
5622 r"""clear_restraints(RestraintSet self)"""
5623 return _IMP_kernel.RestraintSet_clear_restraints(self)
5625 def get_number_of_restraints(self):
5626 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
5627 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
5629 def get_has_restraints(self):
5630 r"""get_has_restraints(RestraintSet self) -> bool"""
5631 return _IMP_kernel.RestraintSet_get_has_restraints(self)
5633 def get_restraint(self, i):
5634 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
5635 return _IMP_kernel.RestraintSet_get_restraint(self, i)
5637 def get_restraints(self):
5638 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
5639 return _IMP_kernel.RestraintSet_get_restraints(self)
5641 def erase_restraint(self, i):
5642 r"""erase_restraint(RestraintSet self, unsigned int i)"""
5643 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
5645 def reserve_restraints(self, sz):
5646 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
5647 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
5649 def get_non_sets_and_sets(self):
5650 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
5651 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
5653 def do_get_inputs(self):
5654 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5655 return _IMP_kernel.RestraintSet_do_get_inputs(self)
5658 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
5659 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
5661 def get_last_score(self):
5662 r"""get_last_score(RestraintSet self) -> double"""
5663 return _IMP_kernel.RestraintSet_get_last_score(self)
5666 r"""__str__(RestraintSet self) -> std::string"""
5667 return _IMP_kernel.RestraintSet___str__(self)
5670 r"""__repr__(RestraintSet self) -> std::string"""
5671 return _IMP_kernel.RestraintSet___repr__(self)
5675 return _object_cast_to_RestraintSet(o)
5678 def do_show(self, out):
5683 return _object_cast_to_RestraintSet(o)
5686 def _get_as_binary(self):
5687 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
5688 return _IMP_kernel.RestraintSet__get_as_binary(self)
5690 def _set_from_binary(self, p):
5691 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
5692 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
5694 def __getstate__(self):
5695 p = self._get_as_binary()
5696 if len(self.__dict__) > 1:
5697 d = self.__dict__.copy()
5702 def __setstate__(self, p):
5703 if not hasattr(self,
'this'):
5705 if isinstance(p, tuple):
5707 self.__dict__.update(d)
5708 return self._set_from_binary(p)
5712 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
5713 funcs = [j.score_func
for j
in jis]
5714 keys = frozenset(x
for j
in jis
for x
in j._keys)
5717 return sum(f(jm)
for f
in funcs)
5721 return self._wrap_jax(jax_sf, keys=keys)
5723 def __disown__(self):
5725 _IMP_kernel.disown_RestraintSet(self)
5726 return weakref.proxy(self)
5729 r"""do_destroy(RestraintSet self)"""
5730 return _IMP_kernel.RestraintSet_do_destroy(self)
5732 def handle_set_has_required_score_states(self, arg0):
5733 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
5734 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
5736 def do_get_outputs(self):
5737 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5738 return _IMP_kernel.RestraintSet_do_get_outputs(self)
5740 def do_get_interactions(self):
5741 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
5742 return _IMP_kernel.RestraintSet_do_get_interactions(self)
5744 def do_create_decomposition(self):
5745 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
5746 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
5748 def do_create_current_decomposition(self):
5749 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
5750 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
5752 def do_add_score_and_derivatives(self, sa):
5753 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
5754 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
5756 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5757 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5758 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5761 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
5763 def get_restraints(rs):
5764 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
5765 return _IMP_kernel.get_restraints(rs)
5767 def _check_particle(p, a):
5768 if (
not p.get_is_active()):
5769 raise ValueError(
"Inactive Particle")
5770 if (type(a)() == a):
5771 raise IndexError(
"Cannot use default Index")
5772 if (
not p.has_attribute(a)):
5773 raise IndexError(
"Particle does not have attribute")
5775 class Particle(ModelObject):
5776 r"""Proxy of C++ IMP::Particle class."""
5778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5781 r"""get_version_info(Particle self) -> VersionInfo"""
5782 return _IMP_kernel.Particle_get_version_info(self)
5783 __swig_destroy__ = _IMP_kernel.delete_Particle
5785 def __init__(self, *args):
5787 __init__(Particle self, Model m, std::string name) -> Particle
5788 __init__(Particle self, Model m) -> Particle
5789 __init__(Particle self) -> Particle
5791 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
5793 def get_float_keys(self):
5794 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
5795 return _IMP_kernel.Particle_get_float_keys(self)
5797 def get_floats_keys(self):
5798 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
5799 return _IMP_kernel.Particle_get_floats_keys(self)
5801 def get_int_keys(self):
5802 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
5803 return _IMP_kernel.Particle_get_int_keys(self)
5805 def get_ints_keys(self):
5806 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
5807 return _IMP_kernel.Particle_get_ints_keys(self)
5809 def get_string_keys(self):
5810 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
5811 return _IMP_kernel.Particle_get_string_keys(self)
5813 def get_object_keys(self):
5814 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
5815 return _IMP_kernel.Particle_get_object_keys(self)
5817 def add_cache_attribute(self, *args):
5819 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
5820 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
5821 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
5822 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
5823 add_cache_attribute(Particle self, StringKey name, IMP::String value)
5824 add_cache_attribute(Particle self, ObjectKey name, Object value)
5825 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
5827 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
5829 def get_weak_object_keys(self):
5830 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
5831 return _IMP_kernel.Particle_get_weak_object_keys(self)
5833 def add_to_derivative(self, *args):
5835 add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)
5836 add_to_derivative(Particle self, Vector3DDerivKey key, Vector3D value, DerivativeAccumulator da)
5837 add_to_derivative(Particle self, Vector4DDerivKey key, Vector4D value, DerivativeAccumulator da)
5839 return _IMP_kernel.Particle_add_to_derivative(self, *args)
5841 def set_is_optimized(self, *args):
5843 set_is_optimized(Particle self, FloatKey k, bool tf)
5844 set_is_optimized(Particle self, Vector3DDerivKey k, bool tf)
5845 set_is_optimized(Particle self, Vector4DDerivKey k, bool tf)
5847 return _IMP_kernel.Particle_set_is_optimized(self, *args)
5849 def get_is_optimized(self, *args):
5851 get_is_optimized(Particle self, FloatKey k) -> bool
5852 get_is_optimized(Particle self, Vector3DDerivKey k) -> bool
5853 get_is_optimized(Particle self, Vector4DDerivKey k) -> bool
5855 return _IMP_kernel.Particle_get_is_optimized(self, *args)
5857 def get_derivative(self, *args):
5859 get_derivative(Particle self, FloatKey k) -> IMP::Float
5860 get_derivative(Particle self, Vector3DDerivKey k) -> Vector3D
5861 get_derivative(Particle self, Vector4DDerivKey k) -> Vector4D
5863 return _IMP_kernel.Particle_get_derivative(self, *args)
5865 def add_attribute(self, *args):
5867 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
5868 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
5869 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
5870 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
5871 add_attribute(Particle self, StringKey name, IMP::String initial_value)
5872 add_attribute(Particle self, ObjectKey name, Object initial_value)
5873 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
5874 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
5875 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
5876 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
5877 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
5878 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
5879 add_attribute(Particle self, ParticleIndexKey k, Particle v)
5881 return _IMP_kernel.Particle_add_attribute(self, *args)
5883 def has_attribute(self, *args):
5885 has_attribute(Particle self, FloatKey name) -> bool
5886 has_attribute(Particle self, FloatsKey name) -> bool
5887 has_attribute(Particle self, IntKey name) -> bool
5888 has_attribute(Particle self, IntsKey name) -> bool
5889 has_attribute(Particle self, StringKey name) -> bool
5890 has_attribute(Particle self, ObjectKey name) -> bool
5891 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
5892 has_attribute(Particle self, SparseStringKey name) -> bool
5893 has_attribute(Particle self, SparseIntKey name) -> bool
5894 has_attribute(Particle self, SparseFloatKey name) -> bool
5895 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
5896 has_attribute(Particle self, ParticleIndexKey k) -> bool
5898 return _IMP_kernel.Particle_has_attribute(self, *args)
5900 def set_value(self, *args):
5902 set_value(Particle self, FloatKey name, IMP::Float value)
5903 set_value(Particle self, FloatsKey name, IMP::Floats value)
5904 set_value(Particle self, IntKey name, IMP::Int value)
5905 set_value(Particle self, IntsKey name, IMP::Ints value)
5906 set_value(Particle self, StringKey name, IMP::String value)
5907 set_value(Particle self, ObjectKey name, Object value)
5908 set_value(Particle self, IMP::WeakObjectKey name, Object value)
5909 set_value(Particle self, SparseStringKey name, IMP::String value)
5910 set_value(Particle self, SparseIntKey name, IMP::Int value)
5911 set_value(Particle self, SparseFloatKey name, IMP::Float value)
5912 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
5913 set_value(Particle self, ParticleIndexKey k, Particle v)
5915 return _IMP_kernel.Particle_set_value(self, *args)
5917 def get_value(self, *args):
5919 get_value(Particle self, FloatKey name) -> IMP::Float
5920 get_value(Particle self, FloatsKey name) -> IMP::Floats
5921 get_value(Particle self, IntKey name) -> IMP::Int
5922 get_value(Particle self, IntsKey name) -> IMP::Ints
5923 get_value(Particle self, StringKey name) -> IMP::String
5924 get_value(Particle self, ObjectKey name) -> Object
5925 get_value(Particle self, IMP::WeakObjectKey name) -> Object
5926 get_value(Particle self, SparseStringKey name) -> IMP::String
5927 get_value(Particle self, SparseIntKey name) -> IMP::Int
5928 get_value(Particle self, SparseFloatKey name) -> IMP::Float
5929 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
5930 get_value(Particle self, ParticleIndexKey k) -> Particle
5932 return _IMP_kernel.Particle_get_value(self, *args)
5934 def remove_attribute(self, *args):
5936 remove_attribute(Particle self, FloatKey name)
5937 remove_attribute(Particle self, FloatsKey name)
5938 remove_attribute(Particle self, IntKey name)
5939 remove_attribute(Particle self, IntsKey name)
5940 remove_attribute(Particle self, StringKey name)
5941 remove_attribute(Particle self, ObjectKey name)
5942 remove_attribute(Particle self, IMP::WeakObjectKey name)
5943 remove_attribute(Particle self, SparseStringKey name)
5944 remove_attribute(Particle self, SparseIntKey name)
5945 remove_attribute(Particle self, SparseFloatKey name)
5946 remove_attribute(Particle self, SparseParticleIndexKey name)
5947 remove_attribute(Particle self, ParticleIndexKey k)
5949 return _IMP_kernel.Particle_remove_attribute(self, *args)
5951 def get_particle_keys(self):
5952 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
5953 return _IMP_kernel.Particle_get_particle_keys(self)
5955 def show(self, *args):
5956 r"""show(Particle self, _ostream out=std::cout)"""
5957 return _IMP_kernel.Particle_show(self, *args)
5959 def get_is_active(self):
5960 r"""get_is_active(Particle self) -> bool"""
5961 return _IMP_kernel.Particle_get_is_active(self)
5964 r"""get_index(Particle self) -> ParticleIndex"""
5965 return _IMP_kernel.Particle_get_index(self)
5967 def __eq__(self, *args):
5969 __eq__(Particle self, Particle o) -> bool
5970 __eq__(Particle self, Decorator d) -> bool
5972 return _IMP_kernel.Particle___eq__(self, *args)
5974 def __ne__(self, *args):
5976 __ne__(Particle self, Particle o) -> bool
5977 __ne__(Particle self, Decorator d) -> bool
5979 return _IMP_kernel.Particle___ne__(self, *args)
5981 def __le__(self, *args):
5983 __le__(Particle self, Particle o) -> bool
5984 __le__(Particle self, Decorator d) -> bool
5986 return _IMP_kernel.Particle___le__(self, *args)
5988 def __lt__(self, *args):
5990 __lt__(Particle self, Particle o) -> bool
5991 __lt__(Particle self, Decorator d) -> bool
5993 return _IMP_kernel.Particle___lt__(self, *args)
5995 def __ge__(self, *args):
5997 __ge__(Particle self, Particle o) -> bool
5998 __ge__(Particle self, Decorator d) -> bool
6000 return _IMP_kernel.Particle___ge__(self, *args)
6002 def __gt__(self, *args):
6004 __gt__(Particle self, Particle o) -> bool
6005 __gt__(Particle self, Decorator d) -> bool
6007 return _IMP_kernel.Particle___gt__(self, *args)
6009 __hash__ = ModelObject.__hash__
6013 r"""__str__(Particle self) -> std::string"""
6014 return _IMP_kernel.Particle___str__(self)
6017 r"""__repr__(Particle self) -> std::string"""
6018 return _IMP_kernel.Particle___repr__(self)
6022 return _object_cast_to_Particle(o)
6025 def _get_as_binary(self):
6026 r"""_get_as_binary(Particle self) -> PyObject *"""
6027 return _IMP_kernel.Particle__get_as_binary(self)
6029 def _set_from_binary(self, p):
6030 r"""_set_from_binary(Particle self, PyObject * p)"""
6031 return _IMP_kernel.Particle__set_from_binary(self, p)
6033 def __getstate__(self):
6034 p = self._get_as_binary()
6035 if len(self.__dict__) > 1:
6036 d = self.__dict__.copy()
6041 def __setstate__(self, p):
6042 if not hasattr(self,
'this'):
6044 if isinstance(p, tuple):
6046 self.__dict__.update(d)
6047 return self._set_from_binary(p)
6051 _IMP_kernel.Particle_swigregister(Particle)
6052 class _ParticleAdaptor(_InputAdaptor):
6053 r"""Proxy of C++ IMP::ParticleAdaptor class."""
6055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6056 __repr__ = _swig_repr
6058 def __init__(self, *args):
6060 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
6061 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
6062 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
6064 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
6066 def get_model(self):
6067 r"""get_model(_ParticleAdaptor self) -> Model"""
6068 return _IMP_kernel._ParticleAdaptor_get_model(self)
6070 def get_particle_index(self):
6071 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
6072 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
6073 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
6076 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
6077 class _DependencyGraphVertexIndex(object):
6078 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
6080 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6081 __repr__ = _swig_repr
6084 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
6085 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
6086 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
6089 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
6091 def show_as_graphviz(name, out):
6092 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
6093 return _IMP_kernel.show_as_graphviz(name, out)
6095 def get_vertex_index(g):
6096 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
6097 return _IMP_kernel.get_vertex_index(g)
6100 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
6101 return _IMP_kernel.get_dependency_graph(m)
6104 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
6105 return _IMP_kernel.get_pruned_dependency_graph(m)
6107 def get_dependent_particles(p, all, dg, index):
6108 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
6109 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
6111 def get_required_score_states(*args):
6113 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
6114 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
6115 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
6117 return _IMP_kernel.get_required_score_states(*args)
6118 class ScoringFunction(ModelObject):
6119 r"""Proxy of C++ IMP::ScoringFunction class."""
6121 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6123 def do_add_score_and_derivatives(self, sa, ss):
6124 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
6125 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
6127 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
6128 r"""do_add_score_and_derivatives_moved(ScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
6129 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
6131 def get_score_accumulator_if_below(self, deriv, max):
6132 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
6133 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
6135 def get_score_accumulator_if_good(self, deriv):
6136 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6137 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
6139 def get_score_accumulator(self, deriv):
6140 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6141 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
6143 def __init__(self, *args):
6145 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
6146 __init__(ScoringFunction self) -> ScoringFunction
6148 if self.__class__ == ScoringFunction:
6152 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
6154 if self.__class__ != ScoringFunction:
6155 _director_objects.register(self)
6160 def do_get_outputs(self):
6161 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6162 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
6164 def evaluate(self, derivatives):
6165 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
6166 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
6168 def evaluate_if_good(self, derivatives):
6169 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
6170 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
6172 def evaluate_if_below(self, derivatives, max):
6173 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
6174 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
6176 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
6177 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6178 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
6180 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
6181 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
6182 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
6184 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
6185 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6186 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
6188 def get_had_good_score(self):
6189 r"""get_had_good_score(ScoringFunction self) -> bool"""
6190 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
6192 def get_last_score(self):
6193 r"""get_last_score(ScoringFunction self) -> double"""
6194 return _IMP_kernel.ScoringFunction_get_last_score(self)
6197 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
6198 return _IMP_kernel.ScoringFunction_create_restraints(self)
6200 def get_single_restraint(self):
6201 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
6202 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
6205 r"""__str__(ScoringFunction self) -> std::string"""
6206 return _IMP_kernel.ScoringFunction___str__(self)
6209 r"""__repr__(ScoringFunction self) -> std::string"""
6210 return _IMP_kernel.ScoringFunction___repr__(self)
6214 return _object_cast_to_ScoringFunction(o)
6217 def do_show(self, out):
6222 return _object_cast_to_ScoringFunction(o)
6226 r = self.get_single_restraint()
6228 raise NotImplementedError(
6229 f
"No JAX implementation for {self} ({type(self)})")
6231 return r.get_derived_object()._get_jax()
6233 def _evaluate_jax(self):
6234 """Similar to evaluate(False), but using JAX.
6235 This is intended to be useful for testing purposes. It will likely
6236 not be particularly fast as it will copy the IMP Model and
6237 jax.jit-compile the scoring function each time."""
6239 ji = self._get_jax()
6240 jm = ji.get_jax_model()
6241 j = jax.jit(ji.score_func)
6244 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
6245 def __disown__(self):
6247 _IMP_kernel.disown_ScoringFunction(self)
6248 return weakref.proxy(self)
6251 r"""do_destroy(ScoringFunction self)"""
6252 return _IMP_kernel.ScoringFunction_do_destroy(self)
6254 def handle_set_has_required_score_states(self, arg0):
6255 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
6256 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
6258 def do_get_inputs(self):
6259 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6260 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
6262 def do_get_interactions(self):
6263 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
6264 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
6267 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
6271 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
6272 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
6274 return _IMP_kernel.create_decomposition(*args)
6275 class _ScoringFunctionAdaptor(_InputAdaptor):
6276 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
6278 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6279 __repr__ = _swig_repr
6281 def __init__(self, *args):
6283 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
6284 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
6285 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
6286 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
6287 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
6289 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
6290 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
6293 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
6296 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
6297 return _IMP_kernel.show_restraint_hierarchy(*args)
6298 class Undecorator(
Object):
6299 r"""Proxy of C++ IMP::Undecorator class."""
6301 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6303 def __init__(self, m, name):
6304 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
6305 if self.__class__ == Undecorator:
6309 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
6311 if self.__class__ != Undecorator:
6312 _director_objects.register(self)
6317 def teardown(self, pi):
6318 r"""teardown(Undecorator self, ParticleIndex pi)"""
6319 return _IMP_kernel.Undecorator_teardown(self, pi)
6322 r"""__str__(Undecorator self) -> std::string"""
6323 return _IMP_kernel.Undecorator___str__(self)
6326 r"""__repr__(Undecorator self) -> std::string"""
6327 return _IMP_kernel.Undecorator___repr__(self)
6331 return _object_cast_to_Undecorator(o)
6334 def do_show(self, out):
6339 return _object_cast_to_Undecorator(o)
6341 __swig_destroy__ = _IMP_kernel.delete_Undecorator
6342 def __disown__(self):
6344 _IMP_kernel.disown_Undecorator(self)
6345 return weakref.proxy(self)
6348 r"""do_destroy(Undecorator self)"""
6349 return _IMP_kernel.Undecorator_do_destroy(self)
6352 _IMP_kernel.Undecorator_swigregister(Undecorator)
6354 r"""Proxy of C++ IMP::Model class."""
6356 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6358 def __init__(self, *args):
6359 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
6360 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
6362 if self
not in _models_set:
6363 _models_set.add(self)
6368 def clear_particle_caches(self, pi):
6369 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
6370 return _IMP_kernel.Model_clear_particle_caches(self, pi)
6373 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
6374 return _IMP_kernel.Model_add_particle(self, name)
6376 def get_particle_name(self, pi):
6377 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
6378 return _IMP_kernel.Model_get_particle_name(self, pi)
6380 def add_undecorator(self, pi, d):
6381 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
6382 return _IMP_kernel.Model_add_undecorator(self, pi, d)
6384 def get_dependent_restraints_uncached(self, pi):
6385 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
6386 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
6388 def get_dependent_particles_uncached(self, pi):
6389 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
6390 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
6392 def get_dependent_score_states_uncached(self, pi):
6393 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
6394 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
6395 def __get_score_states(self):
return _list_util.VarList(getdimfunc=self.get_number_of_score_states, getfunc=self.get_score_state, erasefunc=self.erase_score_state, appendfunc=self.add_score_state, extendfunc=self.add_score_states, clearfunc=self.clear_score_states, indexfunc=self._python_index_score_state)
6396 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
6397 def __del_score_states(self): _list_util.del_varlist(self.score_states)
6398 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
6400 def remove_score_state(self, d):
6401 r"""remove_score_state(Model self, ScoreState d)"""
6402 return _IMP_kernel.Model_remove_score_state(self, d)
6404 def _python_index_score_state(self, d, start, stop):
6405 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
6406 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
6408 def remove_score_states(self, d):
6409 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
6410 return _IMP_kernel.Model_remove_score_states(self, d)
6412 def set_score_states(self, ps):
6413 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
6414 return _IMP_kernel.Model_set_score_states(self, ps)
6416 def set_score_states_order(self, objs):
6417 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
6418 return _IMP_kernel.Model_set_score_states_order(self, objs)
6420 def add_score_state(self, obj):
6421 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
6422 return _IMP_kernel.Model_add_score_state(self, obj)
6424 def add_score_states(self, objs):
6425 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
6426 return _IMP_kernel.Model_add_score_states(self, objs)
6428 def clear_score_states(self):
6429 r"""clear_score_states(Model self)"""
6430 return _IMP_kernel.Model_clear_score_states(self)
6432 def get_number_of_score_states(self):
6433 r"""get_number_of_score_states(Model self) -> unsigned int"""
6434 return _IMP_kernel.Model_get_number_of_score_states(self)
6436 def get_has_score_states(self):
6437 r"""get_has_score_states(Model self) -> bool"""
6438 return _IMP_kernel.Model_get_has_score_states(self)
6440 def get_score_state(self, i):
6441 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
6442 return _IMP_kernel.Model_get_score_state(self, i)
6444 def get_score_states(self):
6445 r"""get_score_states(Model self) -> IMP::ScoreStates"""
6446 return _IMP_kernel.Model_get_score_states(self)
6448 def erase_score_state(self, i):
6449 r"""erase_score_state(Model self, unsigned int i)"""
6450 return _IMP_kernel.Model_erase_score_state(self, i)
6452 def reserve_score_states(self, sz):
6453 r"""reserve_score_states(Model self, unsigned int sz)"""
6454 return _IMP_kernel.Model_reserve_score_states(self, sz)
6457 r"""update(Model self)"""
6458 return _IMP_kernel.Model_update(self)
6460 def get_ordered_score_states(self):
6461 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
6462 return _IMP_kernel.Model_get_ordered_score_states(self)
6464 def add_cache_attribute(self, *args):
6466 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6467 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6468 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6469 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6470 add_cache_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6471 add_cache_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6472 add_cache_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6473 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6474 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6475 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6476 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6477 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6478 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6480 return _IMP_kernel.Model_add_cache_attribute(self, *args)
6482 def add_attribute(self, *args):
6484 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6485 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6486 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6487 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6488 add_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6489 add_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6490 add_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6491 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6492 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6493 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6494 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6495 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6496 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6497 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6498 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6499 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6500 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6502 return _IMP_kernel.Model_add_attribute(self, *args)
6504 def remove_attribute(self, *args):
6506 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
6507 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
6508 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
6509 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
6510 remove_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle)
6511 remove_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle)
6512 remove_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle)
6513 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
6514 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
6515 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
6516 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
6517 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
6518 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
6519 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
6520 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
6521 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
6522 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
6524 return _IMP_kernel.Model_remove_attribute(self, *args)
6526 def get_has_attribute(self, *args):
6528 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
6529 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
6530 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
6531 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
6532 get_has_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> bool
6533 get_has_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> bool
6534 get_has_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> bool
6535 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
6536 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
6537 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
6538 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6539 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
6540 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
6541 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
6542 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
6543 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
6544 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6546 return _IMP_kernel.Model_get_has_attribute(self, *args)
6548 def set_attribute(self, *args):
6550 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6551 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6552 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6553 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6554 set_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6555 set_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6556 set_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6557 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6558 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6559 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6560 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6561 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6562 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6563 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6564 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6565 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6566 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6568 return _IMP_kernel.Model_set_attribute(self, *args)
6570 def get_attribute(self, *args):
6572 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6573 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
6574 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
6575 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> Vector3D
6576 get_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> Vector4D
6577 get_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> Vector3D
6578 get_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> Vector4D
6579 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
6580 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
6581 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
6582 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6583 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
6584 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
6585 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
6586 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
6587 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6588 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6590 return _IMP_kernel.Model_get_attribute(self, *args)
6592 def set_is_optimized(self, *args):
6594 set_is_optimized(Model self, Vector3DDerivKey arg2, ParticleIndex arg3, bool arg4)
6595 set_is_optimized(Model self, Vector4DDerivKey arg2, ParticleIndex arg3, bool arg4)
6596 set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)
6598 return _IMP_kernel.Model_set_is_optimized(self, *args)
6600 def add_to_derivative(self, *args):
6602 add_to_derivative(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D v, DerivativeAccumulator da)
6603 add_to_derivative(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D v, DerivativeAccumulator da)
6604 add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)
6606 return _IMP_kernel.Model_add_to_derivative(self, *args)
6608 def get_particle(self, p):
6609 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
6610 return _IMP_kernel.Model_get_particle(self, p)
6612 def get_has_particle(self, p):
6613 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
6614 return _IMP_kernel.Model_get_has_particle(self, p)
6617 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
6618 return _IMP_kernel.Model_get_particle_indexes(self)
6620 def get_model_objects(self):
6621 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
6622 return _IMP_kernel.Model_get_model_objects(self)
6624 def remove_particle(self, pi):
6625 r"""remove_particle(Model self, ParticleIndex pi)"""
6626 return _IMP_kernel.Model_remove_particle(self, pi)
6628 def add_data(self, mk, o):
6629 r"""add_data(Model self, ModelKey mk, Object o)"""
6630 return _IMP_kernel.Model_add_data(self, mk, o)
6632 def get_data(self, mk):
6633 r"""get_data(Model self, ModelKey mk) -> Object"""
6634 return _IMP_kernel.Model_get_data(self, mk)
6636 def remove_data(self, mk):
6637 r"""remove_data(Model self, ModelKey mk)"""
6638 return _IMP_kernel.Model_remove_data(self, mk)
6640 def get_has_data(self, mk):
6641 r"""get_has_data(Model self, ModelKey mk) -> bool"""
6642 return _IMP_kernel.Model_get_has_data(self, mk)
6645 r"""get_age(Model self) -> unsigned int"""
6646 return _IMP_kernel.Model_get_age(self)
6648 def get_trigger_last_updated(self, tk):
6649 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
6650 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
6652 def set_trigger_updated(self, tk):
6653 r"""set_trigger_updated(Model self, TriggerKey tk)"""
6654 return _IMP_kernel.Model_set_trigger_updated(self, tk)
6656 def get_dependencies_updated(self):
6657 r"""get_dependencies_updated(Model self) -> unsigned int"""
6658 return _IMP_kernel.Model_get_dependencies_updated(self)
6660 def get_removed_particles_attributes_age(self):
6661 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
6662 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
6664 def save_dependencies(self):
6665 r"""save_dependencies(Model self)"""
6666 return _IMP_kernel.Model_save_dependencies(self)
6668 def restore_dependencies(self):
6669 r"""restore_dependencies(Model self)"""
6670 return _IMP_kernel.Model_restore_dependencies(self)
6672 def get_particles_size(self):
6673 r"""get_particles_size(Model self) -> unsigned int"""
6674 return _IMP_kernel.Model_get_particles_size(self)
6676 def get_unique_id(self):
6677 r"""get_unique_id(Model self) -> uint32_t"""
6678 return _IMP_kernel.Model_get_unique_id(self)
6681 def get_by_unique_id(id):
6682 r"""get_by_unique_id(uint32_t id) -> Model"""
6683 return _IMP_kernel.Model_get_by_unique_id(id)
6686 r"""get_version_info(Model self) -> VersionInfo"""
6687 return _IMP_kernel.Model_get_version_info(self)
6688 __swig_destroy__ = _IMP_kernel.delete_Model
6690 r"""__del__(Model self)"""
6692 _director_objects.cleanup()
6699 r"""do_destroy(Model self)"""
6700 return _IMP_kernel.Model_do_destroy(self)
6703 r"""__str__(Model self) -> std::string"""
6704 return _IMP_kernel.Model___str__(self)
6707 r"""__repr__(Model self) -> std::string"""
6708 return _IMP_kernel.Model___repr__(self)
6712 return _object_cast_to_Model(o)
6715 def _get_as_binary(self):
6716 r"""_get_as_binary(Model self) -> PyObject *"""
6717 return _IMP_kernel.Model__get_as_binary(self)
6719 def _set_from_binary(self, p):
6720 r"""_set_from_binary(Model self, PyObject * p)"""
6721 return _IMP_kernel.Model__set_from_binary(self, p)
6723 def __getstate__(self):
6724 p = self._get_as_binary()
6725 if len(self.__dict__) > 1:
6726 d = self.__dict__.copy()
6731 def __setstate__(self, p):
6732 if not hasattr(self,
'this'):
6734 if isinstance(p, tuple):
6736 self.__dict__.update(d)
6737 return self._set_from_binary(p)
6741 """Get the model's attribute array for IntKey k as a NumPy array.
6742 The array is indexed by ParticleIndex; particles that don't have
6743 this attribute will either be off the end of the array or will have
6745 This is a NumPy view that shares memory with the Model. Thus,
6746 any changes to values in this list will be reflected in the Model.
6747 Also, if the Model attribute array moves in memory (e.g. if particles
6748 or attributes are added) this array will be invalidated, so it is
6749 unsafe to keep it around long term.
6750 If read_only is set True, values in the array cannot be changed.
6752 return _get_ints_numpy(self, k, self, read_only)
6755 """Get the model's attribute array for any type of Key
6756 k as a NumPy array. See Model::get_ints_numpy() for more details."""
6757 _numpy_meth_map = {IntKey: _get_ints_numpy,
6758 FloatKey: _get_floats_numpy,
6759 Vector3DKey: _get_vector3ds_numpy,
6760 Vector3DDerivKey: _get_vector3dderiv_numpy,
6761 Vector4DKey: _get_vector4ds_numpy,
6762 Vector4DDerivKey: _get_vector4dderiv_numpy}
6763 return _numpy_meth_map[type(k)](self, k, self, read_only)
6766 """Get the model's attribute array for FloatKey k as a NumPy array.
6767 See Model::get_ints_numpy() for more details."""
6768 return _get_floats_numpy(self, k, self, read_only)
6771 """Get the model's attribute derivatives array for key k
6772 as a NumPy array. See Model::get_ints_numpy() for more details."""
6774 FloatKey: _get_derivatives_numpy,
6775 Vector3DDerivKey: _get_vector3dderiv_derivatives_numpy,
6776 Vector4DDerivKey: _get_vector4dderiv_derivatives_numpy}
6777 return _numpy_meth_map[type(k)](self, k, self, read_only)
6780 """Get the model's attribute array for Vector3DKey k as a NumPy array.
6781 See Model::get_ints_numpy() for more details."""
6782 return _get_vector3ds_numpy(self, k, self, read_only)
6785 """Get the model's XYZR attribute arrays as NumPy arrays.
6786 The attribute arrays for Cartesian coordinates and radii are
6787 stored separately from those for other FloatKeys. This function
6788 returns a tuple of two NumPy arrays, the first of coordinates and
6789 the second of radii. See Model::get_ints_numpy() for more details."""
6790 return _get_spheres_numpy(self, self, read_only)
6793 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
6794 See Model::get_ints_numpy() for more details."""
6795 return _get_sphere_derivatives_numpy(self, self, read_only)
6798 """Get the model's internal coordinate array as a NumPy array.
6799 The attribute arrays for rigid body internal coordinates are
6800 stored separately from those for other FloatKeys.
6801 See Model::get_ints_numpy() for more details."""
6802 return _get_internal_coordinates_numpy(self, self, read_only)
6805 """Get the model's internal coordinate derivative array as a
6807 See Model::get_ints_numpy() for more details."""
6808 return _get_internal_coordinate_derivatives_numpy(
6809 self, self, read_only)
6813 _IMP_kernel.Model_swigregister(Model)
6815 r"""Proxy of C++ IMP::Decorator class."""
6817 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6818 __repr__ = _swig_repr
6820 def __init__(self, p):
6821 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
6822 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
6824 def __ne__(self, o):
6825 r"""__ne__(Decorator self, Object o) -> bool"""
6826 return _IMP_kernel.Decorator___ne__(self, o)
6828 def __lt__(self, o):
6829 r"""__lt__(Decorator self, Object o) -> bool"""
6830 return _IMP_kernel.Decorator___lt__(self, o)
6832 def __gt__(self, o):
6833 r"""__gt__(Decorator self, Object o) -> bool"""
6834 return _IMP_kernel.Decorator___gt__(self, o)
6836 def __ge__(self, o):
6837 r"""__ge__(Decorator self, Object o) -> bool"""
6838 return _IMP_kernel.Decorator___ge__(self, o)
6840 def __le__(self, o):
6841 r"""__le__(Decorator self, Object o) -> bool"""
6842 return _IMP_kernel.Decorator___le__(self, o)
6845 r"""get_particle(Decorator self) -> Particle"""
6846 return _IMP_kernel.Decorator_get_particle(self)
6848 def get_particle_index(self):
6849 r"""get_particle_index(Decorator self) -> ParticleIndex"""
6850 return _IMP_kernel.Decorator_get_particle_index(self)
6852 def get_model(self):
6853 m = _IMP_kernel.Decorator_get_model(self)
6854 if m
in _models_set:
6855 m = _models_set_get(m)
6860 def get_is_valid(self):
6861 r"""get_is_valid(Decorator self) -> bool"""
6862 return _IMP_kernel.Decorator_get_is_valid(self)
6865 r"""__hash__(Decorator self) -> std::size_t"""
6866 return _IMP_kernel.Decorator___hash__(self)
6868 def __eq__(self, *args):
6870 __eq__(Decorator self, Object o) -> bool
6871 __eq__(Decorator self, Decorator o) -> bool
6872 __eq__(Decorator self, Particle o) -> bool
6874 return _IMP_kernel.Decorator___eq__(self, *args)
6877 r"""__bool__(Decorator self) -> bool"""
6878 return _IMP_kernel.Decorator___bool__(self)
6879 __swig_destroy__ = _IMP_kernel.delete_Decorator
6882 _IMP_kernel.Decorator_swigregister(Decorator)
6884 def check_particle(m, pi):
6885 r"""check_particle(Model m, ParticleIndex pi)"""
6886 return _IMP_kernel.check_particle(m, pi)
6888 r"""Proxy of C++ IMP::UnaryFunction class."""
6890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6892 def __init__(self, *args):
6893 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
6894 if self.__class__ == UnaryFunction:
6898 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
6900 if self.__class__ != UnaryFunction:
6901 _director_objects.register(self)
6906 def evaluate(self, feature):
6907 r"""evaluate(UnaryFunction self, double feature) -> double"""
6908 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
6910 def evaluate_with_derivative(self, feature):
6911 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
6912 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
6913 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
6916 r"""__str__(UnaryFunction self) -> std::string"""
6917 return _IMP_kernel.UnaryFunction___str__(self)
6920 r"""__repr__(UnaryFunction self) -> std::string"""
6921 return _IMP_kernel.UnaryFunction___repr__(self)
6925 return _object_cast_to_UnaryFunction(o)
6928 def do_show(self, out):
6933 return _object_cast_to_UnaryFunction(o)
6937 """Return a JAX implementation of this UnaryFunction.
6938 Implement this method in a UnaryFunction subclass to provide
6939 an equivalent function using [JAX](https://docs.jax.dev/)
6940 that scores the provided feature value.
6942 raise NotImplementedError(
6943 f
"No JAX implementation for {self} ({type(self)})")
6945 def __disown__(self):
6947 _IMP_kernel.disown_UnaryFunction(self)
6948 return weakref.proxy(self)
6951 r"""do_destroy(UnaryFunction self)"""
6952 return _IMP_kernel.UnaryFunction_do_destroy(self)
6955 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
6957 r"""Proxy of C++ IMP::OptimizerState class."""
6959 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6961 def __init__(self, *args):
6963 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
6964 __init__(OptimizerState self) -> OptimizerState
6966 if self.__class__ == OptimizerState:
6970 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
6972 if self.__class__ != OptimizerState:
6973 _director_objects.register(self)
6979 r"""update(OptimizerState self)"""
6980 return _IMP_kernel.OptimizerState_update(self)
6982 def set_is_optimizing(self, arg0):
6983 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
6984 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
6986 def get_optimizer(self):
6987 r"""get_optimizer(OptimizerState self) -> Optimizer"""
6988 return _IMP_kernel.OptimizerState_get_optimizer(self)
6990 def set_period(self, p):
6991 r"""set_period(OptimizerState self, unsigned int p)"""
6992 return _IMP_kernel.OptimizerState_set_period(self, p)
6994 def get_period(self):
6995 r"""get_period(OptimizerState self) -> unsigned int"""
6996 return _IMP_kernel.OptimizerState_get_period(self)
6999 r"""reset(OptimizerState self)"""
7000 return _IMP_kernel.OptimizerState_reset(self)
7002 def update_always(self):
7003 r"""update_always(OptimizerState self)"""
7004 return _IMP_kernel.OptimizerState_update_always(self)
7006 def get_number_of_updates(self):
7007 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
7008 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
7010 def set_number_of_updates(self, n):
7011 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
7012 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
7013 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
7015 def do_update(self, arg0):
7016 r"""do_update(OptimizerState self, unsigned int arg0)"""
7017 return _IMP_kernel.OptimizerState_do_update(self, arg0)
7019 def do_set_is_optimizing(self, arg0):
7020 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
7021 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
7023 def do_get_inputs(self):
7024 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7025 return _IMP_kernel.OptimizerState_do_get_inputs(self)
7027 def do_get_outputs(self):
7028 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7029 return _IMP_kernel.OptimizerState_do_get_outputs(self)
7032 r"""__str__(OptimizerState self) -> std::string"""
7033 return _IMP_kernel.OptimizerState___str__(self)
7036 r"""__repr__(OptimizerState self) -> std::string"""
7037 return _IMP_kernel.OptimizerState___repr__(self)
7041 return _object_cast_to_OptimizerState(o)
7044 def do_show(self, out):
7049 return _object_cast_to_OptimizerState(o)
7052 def _get_jax(self, state_index):
7053 """Add JAX support for this OptimizerState.
7055 Each OptimizerState must explicitly support how it is going to
7056 be called when the Optimizer is run via JAX.
7058 OptimizerStates can run as traditional IMP CPU code
7059 on the IMP Model object, in which case None should be returned here.
7060 The Optimizer will sync any necessary information from JAX back
7061 with the IMP Model before calling the OptimizerState. However,
7062 the OptimizerState is not permitted to modify the Model; any
7063 changes will not be propagated back to the Optimizer.
7064 (For example, a thermostat which tries to change particle
7065 velocities will not function correctly.)
7067 Alternatively, a pure JAX implementation can be provided.
7068 See _wrap_jax for more information.
7070 raise NotImplementedError(
7071 f
"No JAX implementation for {self} ({type(self)})")
7073 def _wrap_jax(self, init_func, apply_func):
7074 """Create the return value for _get_jax.
7075 Use this method in _get_jax() to wrap the JAX function
7076 with other OptimizerState-specific information.
7078 @param init_func a JAX function which, given a JAX Optimizer,
7079 does any necessary setup and returns a (possibly modified)
7080 JAX Optimizer. If any OptimizerState-specific
7081 persistent state is needed, it can be stored in
7082 `opt.optimizer_states[state_index]` and later retrieved or
7083 modified in apply_func.
7084 @param apply_func a JAX function which, given a JAX Optimizer,
7085 does the JAX equivalent of do_update() and returns a new
7088 from IMP._jax_util
import JAXOptimizerStateInfo
7089 return JAXOptimizerStateInfo(self, init_func, apply_func)
7091 def __disown__(self):
7093 _IMP_kernel.disown_OptimizerState(self)
7094 return weakref.proxy(self)
7097 r"""do_destroy(OptimizerState self)"""
7098 return _IMP_kernel.OptimizerState_do_destroy(self)
7100 def handle_set_has_required_score_states(self, arg0):
7101 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
7102 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
7104 def do_get_interactions(self):
7105 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
7106 return _IMP_kernel.OptimizerState_do_get_interactions(self)
7109 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
7111 r"""Proxy of C++ IMP::Refiner class."""
7113 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7115 def __init__(self, *args):
7116 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
7117 if self.__class__ == Refiner:
7121 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
7123 if self.__class__ != Refiner:
7124 _director_objects.register(self)
7129 def get_can_refine(self, arg0):
7130 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
7131 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
7133 def get_refined_indexes(self, m, pi):
7134 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
7135 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
7137 def get_refined_indexes_by_ref(self, m, pi):
7138 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7139 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
7141 def get_is_by_ref_supported(self):
7142 r"""get_is_by_ref_supported(Refiner self) -> bool"""
7143 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
7145 def get_refined(self, *args):
7147 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
7148 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
7150 return _IMP_kernel.Refiner_get_refined(self, *args)
7152 def get_number_of_refined(self, a):
7153 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
7154 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
7157 r"""__str__(Refiner self) -> std::string"""
7158 return _IMP_kernel.Refiner___str__(self)
7161 r"""__repr__(Refiner self) -> std::string"""
7162 return _IMP_kernel.Refiner___repr__(self)
7166 return _object_cast_to_Refiner(o)
7169 def do_show(self, out):
7174 return _object_cast_to_Refiner(o)
7176 __swig_destroy__ = _IMP_kernel.delete_Refiner
7177 def __disown__(self):
7179 _IMP_kernel.disown_Refiner(self)
7180 return weakref.proxy(self)
7182 def do_get_inputs(self, m, pis):
7183 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7184 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
7187 r"""do_destroy(Refiner self)"""
7188 return _IMP_kernel.Refiner_do_destroy(self)
7191 _IMP_kernel.Refiner_swigregister(Refiner)
7193 r"""Proxy of C++ IMP::Optimizer class."""
7195 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7197 def set_is_optimizing_states(self, tf):
7198 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
7199 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
7201 def get_optimizer_state_inputs(self):
7202 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7203 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
7205 def do_get_inputs(self):
7206 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7207 return _IMP_kernel.Optimizer_do_get_inputs(self)
7209 def do_get_outputs(self):
7210 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7211 return _IMP_kernel.Optimizer_do_get_outputs(self)
7213 def __init__(self, *args):
7215 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
7216 __init__(Optimizer self) -> Optimizer
7218 if self.__class__ == Optimizer:
7222 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
7224 if self.__class__ != Optimizer:
7225 _director_objects.register(self)
7230 def optimize(self, max_steps):
7231 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
7232 return _IMP_kernel.Optimizer_optimize(self, max_steps)
7234 def set_stop_on_good_score(self, tf):
7235 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
7236 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
7238 def get_stop_on_good_score(self):
7239 r"""get_stop_on_good_score(Optimizer self) -> bool"""
7240 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
7242 def get_last_score(self):
7243 r"""get_last_score(Optimizer self) -> double"""
7244 return _IMP_kernel.Optimizer_get_last_score(self)
7246 def get_scoring_function(self):
7247 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
7248 return _IMP_kernel.Optimizer_get_scoring_function(self)
7249 def __get_optimizer_states(self):
return _list_util.VarList(getdimfunc=self.get_number_of_optimizer_states, getfunc=self.get_optimizer_state, erasefunc=self.erase_optimizer_state, appendfunc=self.add_optimizer_state, extendfunc=self.add_optimizer_states, clearfunc=self.clear_optimizer_states, indexfunc=self._python_index_optimizer_state)
7250 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
7251 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
7252 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
7254 def remove_optimizer_state(self, d):
7255 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
7256 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
7258 def _python_index_optimizer_state(self, d, start, stop):
7259 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
7260 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
7262 def remove_optimizer_states(self, d):
7263 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
7264 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
7266 def set_optimizer_states(self, ps):
7267 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
7268 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
7270 def set_optimizer_states_order(self, objs):
7271 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
7272 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
7274 def add_optimizer_state(self, obj):
7275 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
7276 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
7278 def add_optimizer_states(self, objs):
7279 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
7280 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
7282 def clear_optimizer_states(self):
7283 r"""clear_optimizer_states(Optimizer self)"""
7284 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
7286 def get_number_of_optimizer_states(self):
7287 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
7288 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
7290 def get_has_optimizer_states(self):
7291 r"""get_has_optimizer_states(Optimizer self) -> bool"""
7292 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
7294 def get_optimizer_state(self, i):
7295 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
7296 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
7298 def get_optimizer_states(self):
7299 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
7300 return _IMP_kernel.Optimizer_get_optimizer_states(self)
7302 def erase_optimizer_state(self, i):
7303 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
7304 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
7306 def reserve_optimizer_states(self, sz):
7307 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
7308 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
7310 def set_scoring_function(self, sf):
7311 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
7312 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
7313 __swig_destroy__ = _IMP_kernel.delete_Optimizer
7315 r"""__del__(Optimizer self)"""
7317 _director_objects.cleanup()
7323 def do_optimize(self, ns):
7324 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
7325 return _IMP_kernel.Optimizer_do_optimize(self, ns)
7327 def update_states(self):
7328 r"""update_states(Optimizer self)"""
7329 return _IMP_kernel.Optimizer_update_states(self)
7332 r"""__str__(Optimizer self) -> std::string"""
7333 return _IMP_kernel.Optimizer___str__(self)
7336 r"""__repr__(Optimizer self) -> std::string"""
7337 return _IMP_kernel.Optimizer___repr__(self)
7341 return _object_cast_to_Optimizer(o)
7344 def do_show(self, out):
7349 return _object_cast_to_Optimizer(o)
7351 def __disown__(self):
7353 _IMP_kernel.disown_Optimizer(self)
7354 return weakref.proxy(self)
7357 r"""do_destroy(Optimizer self)"""
7358 return _IMP_kernel.Optimizer_do_destroy(self)
7360 def handle_set_has_required_score_states(self, arg0):
7361 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
7362 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
7364 def do_get_interactions(self):
7365 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
7366 return _IMP_kernel.Optimizer_do_get_interactions(self)
7369 _IMP_kernel.Optimizer_swigregister(Optimizer)
7371 r"""Proxy of C++ IMP::AttributeOptimizer class."""
7373 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7375 def __init__(self, *args):
7377 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
7378 __init__(AttributeOptimizer self) -> AttributeOptimizer
7380 if self.__class__ == AttributeOptimizer:
7384 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
7386 if self.__class__ != AttributeOptimizer:
7387 _director_objects.register(self)
7392 def get_optimized_attributes(self):
7393 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
7394 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
7396 def set_value(self, fi, v):
7397 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
7398 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
7400 def get_value(self, fi):
7401 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7402 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
7404 def get_derivative(self, fi):
7405 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7406 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
7408 def get_width(self, k):
7409 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
7410 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
7412 def set_scaled_value(self, fi, v):
7413 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
7414 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
7416 def get_scaled_value(self, fi):
7417 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
7418 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
7420 def get_scaled_derivative(self, fi):
7421 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
7422 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
7424 def clear_range_cache(self):
7425 r"""clear_range_cache(AttributeOptimizer self)"""
7426 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
7429 r"""__str__(AttributeOptimizer self) -> std::string"""
7430 return _IMP_kernel.AttributeOptimizer___str__(self)
7433 r"""__repr__(AttributeOptimizer self) -> std::string"""
7434 return _IMP_kernel.AttributeOptimizer___repr__(self)
7438 return _object_cast_to_AttributeOptimizer(o)
7441 def do_show(self, out):
7446 return _object_cast_to_AttributeOptimizer(o)
7448 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
7449 def __disown__(self):
7451 _IMP_kernel.disown_AttributeOptimizer(self)
7452 return weakref.proxy(self)
7455 r"""do_destroy(AttributeOptimizer self)"""
7456 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
7458 def handle_set_has_required_score_states(self, arg0):
7459 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
7460 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
7462 def do_get_inputs(self):
7463 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7464 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
7466 def do_get_outputs(self):
7467 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7468 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
7470 def do_get_interactions(self):
7471 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
7472 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
7474 def do_optimize(self, ns):
7475 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
7476 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
7479 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
7481 r"""Proxy of C++ IMP::ConfigurationSet class."""
7483 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7485 def __init__(self, *args):
7486 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
7487 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
7489 def save_configuration(self):
7490 r"""save_configuration(ConfigurationSet self)"""
7491 return _IMP_kernel.ConfigurationSet_save_configuration(self)
7493 def get_number_of_configurations(self):
7494 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
7495 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
7497 def load_configuration(self, i):
7498 r"""load_configuration(ConfigurationSet self, int i)"""
7499 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
7501 def remove_configuration(self, i):
7502 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
7503 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
7505 def get_model(self):
7506 r"""get_model(ConfigurationSet self) -> Model"""
7507 return _IMP_kernel.ConfigurationSet_get_model(self)
7510 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
7511 return _IMP_kernel.ConfigurationSet_get_version_info(self)
7512 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
7515 r"""__str__(ConfigurationSet self) -> std::string"""
7516 return _IMP_kernel.ConfigurationSet___str__(self)
7519 r"""__repr__(ConfigurationSet self) -> std::string"""
7520 return _IMP_kernel.ConfigurationSet___repr__(self)
7524 return _object_cast_to_ConfigurationSet(o)
7528 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
7530 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
7532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7534 def __init__(self, cs):
7535 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
7536 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
7539 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
7540 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
7541 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
7544 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7545 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
7548 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7549 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
7553 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
7557 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
7559 r"""Proxy of C++ IMP::Configuration class."""
7561 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7563 def __init__(self, *args):
7565 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
7566 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
7568 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
7570 def load_configuration(self):
7571 r"""load_configuration(Configuration self)"""
7572 return _IMP_kernel.Configuration_load_configuration(self)
7574 def swap_configuration(self):
7575 r"""swap_configuration(Configuration self)"""
7576 return _IMP_kernel.Configuration_swap_configuration(self)
7579 r"""get_version_info(Configuration self) -> VersionInfo"""
7580 return _IMP_kernel.Configuration_get_version_info(self)
7581 __swig_destroy__ = _IMP_kernel.delete_Configuration
7584 r"""__str__(Configuration self) -> std::string"""
7585 return _IMP_kernel.Configuration___str__(self)
7588 r"""__repr__(Configuration self) -> std::string"""
7589 return _IMP_kernel.Configuration___repr__(self)
7593 return _object_cast_to_Configuration(o)
7597 _IMP_kernel.Configuration_swigregister(Configuration)
7599 r"""Proxy of C++ IMP::Sampler class."""
7601 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7603 def __init__(self, *args):
7604 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
7605 if self.__class__ == Sampler:
7609 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
7611 if self.__class__ != Sampler:
7612 _director_objects.register(self)
7617 def create_sample(self):
7618 r"""create_sample(Sampler self) -> ConfigurationSet"""
7619 return _IMP_kernel.Sampler_create_sample(self)
7621 def get_scoring_function(self):
7622 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
7623 return _IMP_kernel.Sampler_get_scoring_function(self)
7625 def set_scoring_function(self, sf):
7626 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
7627 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
7629 def get_model(self):
7630 r"""get_model(Sampler self) -> Model"""
7631 return _IMP_kernel.Sampler_get_model(self)
7633 def do_sample(self):
7634 r"""do_sample(Sampler self) -> ConfigurationSet"""
7635 return _IMP_kernel.Sampler_do_sample(self)
7636 __swig_destroy__ = _IMP_kernel.delete_Sampler
7639 r"""__str__(Sampler self) -> std::string"""
7640 return _IMP_kernel.Sampler___str__(self)
7643 r"""__repr__(Sampler self) -> std::string"""
7644 return _IMP_kernel.Sampler___repr__(self)
7648 return _object_cast_to_Sampler(o)
7651 def do_show(self, out):
7656 return _object_cast_to_Sampler(o)
7658 def __disown__(self):
7660 _IMP_kernel.disown_Sampler(self)
7661 return weakref.proxy(self)
7664 r"""do_destroy(Sampler self)"""
7665 return _IMP_kernel.Sampler_do_destroy(self)
7668 _IMP_kernel.Sampler_swigregister(Sampler)
7670 r"""Proxy of C++ IMP::PairModifier class."""
7672 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7674 def __init__(self, *args):
7675 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
7676 if self.__class__ == PairModifier:
7680 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
7682 if self.__class__ != PairModifier:
7683 _director_objects.register(self)
7688 def apply_index(self, m, v):
7689 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
7690 return _IMP_kernel.PairModifier_apply_index(self, m, v)
7692 def apply_indexes(self, m, o, lower_bound, upper_bound):
7693 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7694 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7696 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7697 r"""apply_indexes_moved(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7698 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7701 r"""__str__(PairModifier self) -> std::string"""
7702 return _IMP_kernel.PairModifier___str__(self)
7705 r"""__repr__(PairModifier self) -> std::string"""
7706 return _IMP_kernel.PairModifier___repr__(self)
7710 return _object_cast_to_PairModifier(o)
7713 def do_show(self, out):
7718 return _object_cast_to_PairModifier(o)
7720 __swig_destroy__ = _IMP_kernel.delete_PairModifier
7721 def __disown__(self):
7723 _IMP_kernel.disown_PairModifier(self)
7724 return weakref.proxy(self)
7726 def do_get_inputs(self, m, pis):
7727 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7728 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
7730 def do_get_outputs(self, m, pis):
7731 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7732 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
7735 r"""do_destroy(PairModifier self)"""
7736 return _IMP_kernel.PairModifier_do_destroy(self)
7739 _IMP_kernel.PairModifier_swigregister(PairModifier)
7741 r"""Proxy of C++ IMP::PairScore class."""
7743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7745 def __init__(self, *args):
7746 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
7747 if self.__class__ == PairScore:
7751 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
7753 if self.__class__ != PairScore:
7754 _director_objects.register(self)
7759 def evaluate_index(self, m, vt, da):
7760 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
7761 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
7763 def check_indexes(self, m, pis):
7764 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7765 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
7767 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7768 r"""evaluate_indexes(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
7769 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7771 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7772 r"""evaluate_indexes_scores(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
7773 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7775 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7776 r"""evaluate_indexes_delta(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
7777 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7779 def evaluate_if_good_index(self, m, vt, da, max):
7780 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
7781 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
7783 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7784 r"""evaluate_if_good_indexes(PairScore self, Model m, IMP::ParticleIndexPairs const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
7785 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7787 def create_current_decomposition(self, m, vt):
7788 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7789 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
7791 def do_create_current_decomposition(self, m, vt):
7792 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7793 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
7794 __swig_destroy__ = _IMP_kernel.delete_PairScore
7797 r"""__str__(PairScore self) -> std::string"""
7798 return _IMP_kernel.PairScore___str__(self)
7801 r"""__repr__(PairScore self) -> std::string"""
7802 return _IMP_kernel.PairScore___repr__(self)
7806 return _object_cast_to_PairScore(o)
7809 def do_show(self, out):
7814 return _object_cast_to_PairScore(o)
7817 def _wrap_jax(self, m, score_func, keys=None):
7818 """Create the return value for _get_jax.
7819 Use this method in _get_jax() to wrap the JAX scoring function
7820 with other score-specific information.
7822 @param m The IMP.Model that the score will act on.
7823 @param score_func A function implemented using JAX that takes
7824 one argument (the current JAX Model) and returns the total
7826 @param keys Model attributes used by the PairScore.
7827 See IMP::Restraint::_wrap_jax.
7829 from IMP._jax_util
import JAXScoreInfo
7830 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7832 def _get_jax(self, m, indexes):
7833 """Return a JAX implementation of this PairScore.
7834 Implement this method in a PairScore subclass to provide
7835 an equivalent function using [JAX](https://docs.jax.dev/)
7836 that scores the current JAX Model with a given set of
7837 ParticlePairIndexes. See also _wrap_jax.
7839 @param m The IMP.Model that the score will act on.
7840 @param indexes The ParticlePairIndexes that the score will act on.
7842 raise NotImplementedError(
7843 f
"No JAX implementation for {self} ({type(self)})")
7845 def __disown__(self):
7847 _IMP_kernel.disown_PairScore(self)
7848 return weakref.proxy(self)
7850 def do_get_inputs(self, m, pis):
7851 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7852 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
7855 r"""do_destroy(PairScore self)"""
7856 return _IMP_kernel.PairScore_do_destroy(self)
7859 _IMP_kernel.PairScore_swigregister(PairScore)
7861 r"""Proxy of C++ IMP::PairPredicate class."""
7863 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7865 def __init__(self, *args):
7866 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
7867 if self.__class__ == PairPredicate:
7871 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
7873 if self.__class__ != PairPredicate:
7874 _director_objects.register(self)
7879 def setup_for_get_value_index_in_batch(self, arg0):
7880 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
7881 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
7883 def get_value_index_in_batch(self, m, vt):
7884 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7885 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
7887 def __call__(self, m, vt):
7888 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7889 return _IMP_kernel.PairPredicate___call__(self, m, vt)
7891 def get_value_index(self, *args):
7893 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
7894 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7896 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
7897 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
7900 r"""__str__(PairPredicate self) -> std::string"""
7901 return _IMP_kernel.PairPredicate___str__(self)
7904 r"""__repr__(PairPredicate self) -> std::string"""
7905 return _IMP_kernel.PairPredicate___repr__(self)
7909 return _object_cast_to_PairPredicate(o)
7912 def do_show(self, out):
7917 return _object_cast_to_PairPredicate(o)
7919 def __disown__(self):
7921 _IMP_kernel.disown_PairPredicate(self)
7922 return weakref.proxy(self)
7924 def do_get_inputs(self, m, pis):
7925 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7926 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
7929 r"""do_destroy(PairPredicate self)"""
7930 return _IMP_kernel.PairPredicate_do_destroy(self)
7933 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
7935 r"""Proxy of C++ IMP::PairContainer class."""
7937 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7939 def apply_generic(self, m):
7940 r"""apply_generic(PairContainer self, PairModifier m)"""
7941 return _IMP_kernel.PairContainer_apply_generic(self, m)
7943 def apply_generic_moved(self, m, moved_pis, reset_pis):
7944 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7945 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7947 def apply(self, sm):
7948 r"""apply(PairContainer self, PairModifier sm)"""
7949 return _IMP_kernel.PairContainer_apply(self, sm)
7951 def apply_moved(self, sm, moved_pis, reset_pis):
7952 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7953 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
7955 def get_range_indexes(self):
7956 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7957 return _IMP_kernel.PairContainer_get_range_indexes(self)
7959 def get_contents(self):
7960 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
7961 return _IMP_kernel.PairContainer_get_contents(self)
7964 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7965 return _IMP_kernel.PairContainer_get_indexes(self)
7967 def get(self, *args):
7969 get(PairContainer self) -> IMP::ParticlePairsTemp
7970 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
7972 return _IMP_kernel.PairContainer_get(self, *args)
7974 def get_number(self):
7975 r"""get_number(PairContainer self) -> unsigned int"""
7976 return _IMP_kernel.PairContainer_get_number(self)
7978 def __init__(self, *args):
7980 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
7981 __init__(PairContainer self) -> PairContainer
7983 if self.__class__ == PairContainer:
7987 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
7989 if self.__class__ != PairContainer:
7990 _director_objects.register(self)
7995 def do_apply(self, sm):
7996 r"""do_apply(PairContainer self, PairModifier sm)"""
7997 return _IMP_kernel.PairContainer_do_apply(self, sm)
7999 def do_apply_moved(self, sm, moved_pis, reset_pis):
8000 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8001 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8003 def do_get_provides_access(self):
8004 r"""do_get_provides_access(PairContainer self) -> bool"""
8005 return _IMP_kernel.PairContainer_do_get_provides_access(self)
8006 __swig_destroy__ = _IMP_kernel.delete_PairContainer
8009 r"""__str__(PairContainer self) -> std::string"""
8010 return _IMP_kernel.PairContainer___str__(self)
8013 r"""__repr__(PairContainer self) -> std::string"""
8014 return _IMP_kernel.PairContainer___repr__(self)
8018 return _object_cast_to_PairContainer(o)
8021 def do_show(self, out):
8026 return _object_cast_to_PairContainer(o)
8028 def __disown__(self):
8030 _IMP_kernel.disown_PairContainer(self)
8031 return weakref.proxy(self)
8034 r"""do_destroy(PairContainer self)"""
8035 return _IMP_kernel.PairContainer_do_destroy(self)
8037 def handle_set_has_required_score_states(self, arg0):
8038 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
8039 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
8041 def do_get_inputs(self):
8042 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
8043 return _IMP_kernel.PairContainer_do_get_inputs(self)
8045 def do_get_interactions(self):
8046 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
8047 return _IMP_kernel.PairContainer_do_get_interactions(self)
8049 def do_get_contents_hash(self):
8050 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
8051 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
8054 _IMP_kernel.PairContainer_swigregister(PairContainer)
8055 class _PairContainerAdaptor(_InputAdaptor):
8056 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
8058 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8059 __repr__ = _swig_repr
8061 def __init__(self, *args):
8063 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
8064 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
8065 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
8067 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
8069 def set_name_if_default(self, name):
8070 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
8071 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
8072 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
8075 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
8077 r"""Proxy of C++ IMP::QuadModifier class."""
8079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8081 def __init__(self, *args):
8082 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
8083 if self.__class__ == QuadModifier:
8087 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
8089 if self.__class__ != QuadModifier:
8090 _director_objects.register(self)
8095 def apply_index(self, m, v):
8096 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
8097 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
8099 def apply_indexes(self, m, o, lower_bound, upper_bound):
8100 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8101 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8103 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8104 r"""apply_indexes_moved(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8105 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8108 r"""__str__(QuadModifier self) -> std::string"""
8109 return _IMP_kernel.QuadModifier___str__(self)
8112 r"""__repr__(QuadModifier self) -> std::string"""
8113 return _IMP_kernel.QuadModifier___repr__(self)
8117 return _object_cast_to_QuadModifier(o)
8120 def do_show(self, out):
8125 return _object_cast_to_QuadModifier(o)
8127 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
8128 def __disown__(self):
8130 _IMP_kernel.disown_QuadModifier(self)
8131 return weakref.proxy(self)
8133 def do_get_inputs(self, m, pis):
8134 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8135 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
8137 def do_get_outputs(self, m, pis):
8138 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8139 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
8142 r"""do_destroy(QuadModifier self)"""
8143 return _IMP_kernel.QuadModifier_do_destroy(self)
8146 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
8148 r"""Proxy of C++ IMP::QuadScore class."""
8150 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8152 def __init__(self, *args):
8153 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
8154 if self.__class__ == QuadScore:
8158 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
8160 if self.__class__ != QuadScore:
8161 _director_objects.register(self)
8166 def evaluate_index(self, m, vt, da):
8167 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
8168 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
8170 def check_indexes(self, m, pis):
8171 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8172 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
8174 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8175 r"""evaluate_indexes(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8176 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8178 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8179 r"""evaluate_indexes_scores(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8180 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8182 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8183 r"""evaluate_indexes_delta(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8184 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8186 def evaluate_if_good_index(self, m, vt, da, max):
8187 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
8188 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
8190 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8191 r"""evaluate_if_good_indexes(QuadScore self, Model m, IMP::ParticleIndexQuads const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8192 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8194 def create_current_decomposition(self, m, vt):
8195 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8196 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
8198 def do_create_current_decomposition(self, m, vt):
8199 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8200 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
8201 __swig_destroy__ = _IMP_kernel.delete_QuadScore
8204 r"""__str__(QuadScore self) -> std::string"""
8205 return _IMP_kernel.QuadScore___str__(self)
8208 r"""__repr__(QuadScore self) -> std::string"""
8209 return _IMP_kernel.QuadScore___repr__(self)
8213 return _object_cast_to_QuadScore(o)
8216 def do_show(self, out):
8221 return _object_cast_to_QuadScore(o)
8223 def __disown__(self):
8225 _IMP_kernel.disown_QuadScore(self)
8226 return weakref.proxy(self)
8228 def do_get_inputs(self, m, pis):
8229 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8230 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
8233 r"""do_destroy(QuadScore self)"""
8234 return _IMP_kernel.QuadScore_do_destroy(self)
8237 _IMP_kernel.QuadScore_swigregister(QuadScore)
8239 r"""Proxy of C++ IMP::QuadPredicate class."""
8241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8243 def __init__(self, *args):
8244 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
8245 if self.__class__ == QuadPredicate:
8249 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
8251 if self.__class__ != QuadPredicate:
8252 _director_objects.register(self)
8257 def setup_for_get_value_index_in_batch(self, arg0):
8258 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
8259 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
8261 def get_value_index_in_batch(self, m, vt):
8262 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8263 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
8265 def __call__(self, m, vt):
8266 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8267 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
8269 def get_value_index(self, *args):
8271 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
8272 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
8274 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
8275 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
8278 r"""__str__(QuadPredicate self) -> std::string"""
8279 return _IMP_kernel.QuadPredicate___str__(self)
8282 r"""__repr__(QuadPredicate self) -> std::string"""
8283 return _IMP_kernel.QuadPredicate___repr__(self)
8287 return _object_cast_to_QuadPredicate(o)
8290 def do_show(self, out):
8295 return _object_cast_to_QuadPredicate(o)
8297 def __disown__(self):
8299 _IMP_kernel.disown_QuadPredicate(self)
8300 return weakref.proxy(self)
8302 def do_get_inputs(self, m, pis):
8303 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8304 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
8307 r"""do_destroy(QuadPredicate self)"""
8308 return _IMP_kernel.QuadPredicate_do_destroy(self)
8311 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
8313 r"""Proxy of C++ IMP::QuadContainer class."""
8315 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8317 def apply_generic(self, m):
8318 r"""apply_generic(QuadContainer self, QuadModifier m)"""
8319 return _IMP_kernel.QuadContainer_apply_generic(self, m)
8321 def apply_generic_moved(self, m, moved_pis, reset_pis):
8322 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8323 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8325 def apply(self, sm):
8326 r"""apply(QuadContainer self, QuadModifier sm)"""
8327 return _IMP_kernel.QuadContainer_apply(self, sm)
8329 def apply_moved(self, sm, moved_pis, reset_pis):
8330 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8331 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
8333 def get_range_indexes(self):
8334 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8335 return _IMP_kernel.QuadContainer_get_range_indexes(self)
8337 def get_contents(self):
8338 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
8339 return _IMP_kernel.QuadContainer_get_contents(self)
8342 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8343 return _IMP_kernel.QuadContainer_get_indexes(self)
8345 def get(self, *args):
8347 get(QuadContainer self) -> IMP::ParticleQuadsTemp
8348 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
8350 return _IMP_kernel.QuadContainer_get(self, *args)
8352 def get_number(self):
8353 r"""get_number(QuadContainer self) -> unsigned int"""
8354 return _IMP_kernel.QuadContainer_get_number(self)
8356 def __init__(self, *args):
8358 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
8359 __init__(QuadContainer self) -> QuadContainer
8361 if self.__class__ == QuadContainer:
8365 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
8367 if self.__class__ != QuadContainer:
8368 _director_objects.register(self)
8373 def do_apply(self, sm):
8374 r"""do_apply(QuadContainer self, QuadModifier sm)"""
8375 return _IMP_kernel.QuadContainer_do_apply(self, sm)
8377 def do_apply_moved(self, sm, moved_pis, reset_pis):
8378 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8379 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8381 def do_get_provides_access(self):
8382 r"""do_get_provides_access(QuadContainer self) -> bool"""
8383 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
8384 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
8387 r"""__str__(QuadContainer self) -> std::string"""
8388 return _IMP_kernel.QuadContainer___str__(self)
8391 r"""__repr__(QuadContainer self) -> std::string"""
8392 return _IMP_kernel.QuadContainer___repr__(self)
8396 return _object_cast_to_QuadContainer(o)
8399 def do_show(self, out):
8404 return _object_cast_to_QuadContainer(o)
8406 def __disown__(self):
8408 _IMP_kernel.disown_QuadContainer(self)
8409 return weakref.proxy(self)
8412 r"""do_destroy(QuadContainer self)"""
8413 return _IMP_kernel.QuadContainer_do_destroy(self)
8415 def handle_set_has_required_score_states(self, arg0):
8416 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
8417 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
8419 def do_get_inputs(self):
8420 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
8421 return _IMP_kernel.QuadContainer_do_get_inputs(self)
8423 def do_get_interactions(self):
8424 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
8425 return _IMP_kernel.QuadContainer_do_get_interactions(self)
8427 def do_get_contents_hash(self):
8428 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
8429 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
8432 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
8433 class _QuadContainerAdaptor(_InputAdaptor):
8434 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
8436 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8437 __repr__ = _swig_repr
8439 def __init__(self, *args):
8441 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
8442 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
8443 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
8445 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
8447 def set_name_if_default(self, name):
8448 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
8449 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
8450 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
8453 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
8455 r"""Proxy of C++ IMP::SingletonModifier class."""
8457 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8459 def __init__(self, *args):
8460 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
8461 if self.__class__ == SingletonModifier:
8465 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
8467 if self.__class__ != SingletonModifier:
8468 _director_objects.register(self)
8473 def apply_index(self, m, v):
8474 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
8475 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
8477 def apply_indexes(self, m, o, lower_bound, upper_bound):
8478 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8479 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8481 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8482 r"""apply_indexes_moved(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8483 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8486 r"""__str__(SingletonModifier self) -> std::string"""
8487 return _IMP_kernel.SingletonModifier___str__(self)
8490 r"""__repr__(SingletonModifier self) -> std::string"""
8491 return _IMP_kernel.SingletonModifier___repr__(self)
8495 return _object_cast_to_SingletonModifier(o)
8498 def do_show(self, out):
8503 return _object_cast_to_SingletonModifier(o)
8506 def _wrap_jax(self, apply_func, keys=None):
8507 """Create the return value for _get_jax.
8508 Use this method in _get_jax() to wrap the JAX function
8509 with other modifier-specific information.
8511 @param apply_func A function implemented using JAX that takes
8512 one argument (the current JAX Model) and returns a new
8514 @param keys Model attributes used by the SingletonModifier.
8515 See IMP::Restraint::_wrap_jax.
8517 from IMP._jax_util
import JAXModifierInfo
8518 return JAXModifierInfo(apply_func=apply_func, keys=keys)
8520 def _get_jax(self, m, indexes):
8521 """Return a JAX implementation of this SingletonModifier.
8522 Implement this method in a SingletonModifier subclass to provide
8523 an equivalent function using [JAX](https://docs.jax.dev/)
8524 that modifies the current JAX Model. See also _wrap_jax.
8526 @param m The IMP.Model that the modifier will act on.
8527 @param indexes The ParticleIndexes that the modifier will act on.
8529 raise NotImplementedError(
8530 f
"No JAX implementation for {self} ({type(self)})")
8532 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
8533 def __disown__(self):
8535 _IMP_kernel.disown_SingletonModifier(self)
8536 return weakref.proxy(self)
8538 def do_get_inputs(self, m, pis):
8539 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8540 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
8542 def do_get_outputs(self, m, pis):
8543 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8544 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
8547 r"""do_destroy(SingletonModifier self)"""
8548 return _IMP_kernel.SingletonModifier_do_destroy(self)
8551 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
8553 r"""Proxy of C++ IMP::SingletonScore class."""
8555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8557 def __init__(self, *args):
8558 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
8559 if self.__class__ == SingletonScore:
8563 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
8565 if self.__class__ != SingletonScore:
8566 _director_objects.register(self)
8571 def evaluate_index(self, m, vt, da):
8572 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
8573 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
8575 def check_indexes(self, m, pis):
8576 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8577 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
8579 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8580 r"""evaluate_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8581 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8583 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8584 r"""evaluate_indexes_scores(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8585 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8587 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8588 r"""evaluate_indexes_delta(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8589 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8591 def evaluate_if_good_index(self, m, vt, da, max):
8592 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
8593 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
8595 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8596 r"""evaluate_if_good_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8597 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8599 def create_current_decomposition(self, m, vt):
8600 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8601 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
8603 def do_create_current_decomposition(self, m, vt):
8604 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8605 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
8606 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
8609 r"""__str__(SingletonScore self) -> std::string"""
8610 return _IMP_kernel.SingletonScore___str__(self)
8613 r"""__repr__(SingletonScore self) -> std::string"""
8614 return _IMP_kernel.SingletonScore___repr__(self)
8618 return _object_cast_to_SingletonScore(o)
8621 def do_show(self, out):
8626 return _object_cast_to_SingletonScore(o)
8629 def _wrap_jax(self, m, score_func, keys=None):
8630 """See IMP::PairScore::_wrap_jax"""
8631 from IMP._jax_util
import JAXScoreInfo
8632 return JAXScoreInfo(m, score_func=score_func, keys=keys)
8634 def _get_jax(self, m, indexes):
8635 """See IMP::PairScore::_get_jax"""
8636 raise NotImplementedError(
8637 f
"No JAX implementation for {self} ({type(self)})")
8639 def __disown__(self):
8641 _IMP_kernel.disown_SingletonScore(self)
8642 return weakref.proxy(self)
8644 def do_get_inputs(self, m, pis):
8645 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8646 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
8649 r"""do_destroy(SingletonScore self)"""
8650 return _IMP_kernel.SingletonScore_do_destroy(self)
8653 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
8655 r"""Proxy of C++ IMP::SingletonPredicate class."""
8657 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8659 def __init__(self, *args):
8660 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
8661 if self.__class__ == SingletonPredicate:
8665 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
8667 if self.__class__ != SingletonPredicate:
8668 _director_objects.register(self)
8673 def setup_for_get_value_index_in_batch(self, arg0):
8674 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
8675 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
8677 def get_value_index_in_batch(self, m, vt):
8678 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8679 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
8681 def __call__(self, m, vt):
8682 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8683 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
8685 def get_value_index(self, *args):
8687 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
8688 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
8690 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
8691 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
8694 r"""__str__(SingletonPredicate self) -> std::string"""
8695 return _IMP_kernel.SingletonPredicate___str__(self)
8698 r"""__repr__(SingletonPredicate self) -> std::string"""
8699 return _IMP_kernel.SingletonPredicate___repr__(self)
8703 return _object_cast_to_SingletonPredicate(o)
8706 def do_show(self, out):
8711 return _object_cast_to_SingletonPredicate(o)
8713 def __disown__(self):
8715 _IMP_kernel.disown_SingletonPredicate(self)
8716 return weakref.proxy(self)
8718 def do_get_inputs(self, m, pis):
8719 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8720 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
8723 r"""do_destroy(SingletonPredicate self)"""
8724 return _IMP_kernel.SingletonPredicate_do_destroy(self)
8727 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
8729 r"""Proxy of C++ IMP::SingletonContainer class."""
8731 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8733 def apply_generic(self, m):
8734 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
8735 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
8737 def apply_generic_moved(self, m, moved_pis, reset_pis):
8738 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8739 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8741 def apply(self, sm):
8742 r"""apply(SingletonContainer self, SingletonModifier sm)"""
8743 return _IMP_kernel.SingletonContainer_apply(self, sm)
8745 def apply_moved(self, sm, moved_pis, reset_pis):
8746 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8747 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
8749 def get_range_indexes(self):
8750 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8751 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
8753 def get_contents(self):
8754 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
8755 return _IMP_kernel.SingletonContainer_get_contents(self)
8758 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8759 return _IMP_kernel.SingletonContainer_get_indexes(self)
8761 def get(self, *args):
8763 get(SingletonContainer self) -> IMP::ParticlesTemp
8764 get(SingletonContainer self, unsigned int i) -> Particle
8766 return _IMP_kernel.SingletonContainer_get(self, *args)
8768 def get_number(self):
8769 r"""get_number(SingletonContainer self) -> unsigned int"""
8770 return _IMP_kernel.SingletonContainer_get_number(self)
8772 def __init__(self, *args):
8774 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
8775 __init__(SingletonContainer self) -> SingletonContainer
8777 if self.__class__ == SingletonContainer:
8781 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
8783 if self.__class__ != SingletonContainer:
8784 _director_objects.register(self)
8789 def do_apply(self, sm):
8790 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
8791 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
8793 def do_apply_moved(self, sm, moved_pis, reset_pis):
8794 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8795 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8797 def do_get_provides_access(self):
8798 r"""do_get_provides_access(SingletonContainer self) -> bool"""
8799 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
8800 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
8803 r"""__str__(SingletonContainer self) -> std::string"""
8804 return _IMP_kernel.SingletonContainer___str__(self)
8807 r"""__repr__(SingletonContainer self) -> std::string"""
8808 return _IMP_kernel.SingletonContainer___repr__(self)
8812 return _object_cast_to_SingletonContainer(o)
8815 def do_show(self, out):
8820 return _object_cast_to_SingletonContainer(o)
8822 def __disown__(self):
8824 _IMP_kernel.disown_SingletonContainer(self)
8825 return weakref.proxy(self)
8828 r"""do_destroy(SingletonContainer self)"""
8829 return _IMP_kernel.SingletonContainer_do_destroy(self)
8831 def handle_set_has_required_score_states(self, arg0):
8832 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
8833 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
8835 def do_get_inputs(self):
8836 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
8837 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
8839 def do_get_interactions(self):
8840 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
8841 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
8843 def do_get_contents_hash(self):
8844 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
8845 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
8848 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
8849 class _SingletonContainerAdaptor(_InputAdaptor):
8850 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
8852 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8853 __repr__ = _swig_repr
8855 def __init__(self, *args):
8857 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
8858 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
8859 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
8861 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
8863 def set_name_if_default(self, name):
8864 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
8865 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
8866 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
8869 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
8871 r"""Proxy of C++ IMP::TripletModifier class."""
8873 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8875 def __init__(self, *args):
8876 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
8877 if self.__class__ == TripletModifier:
8881 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
8883 if self.__class__ != TripletModifier:
8884 _director_objects.register(self)
8889 def apply_index(self, m, v):
8890 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
8891 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
8893 def apply_indexes(self, m, o, lower_bound, upper_bound):
8894 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8895 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8897 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8898 r"""apply_indexes_moved(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8899 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8902 r"""__str__(TripletModifier self) -> std::string"""
8903 return _IMP_kernel.TripletModifier___str__(self)
8906 r"""__repr__(TripletModifier self) -> std::string"""
8907 return _IMP_kernel.TripletModifier___repr__(self)
8911 return _object_cast_to_TripletModifier(o)
8914 def do_show(self, out):
8919 return _object_cast_to_TripletModifier(o)
8921 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
8922 def __disown__(self):
8924 _IMP_kernel.disown_TripletModifier(self)
8925 return weakref.proxy(self)
8927 def do_get_inputs(self, m, pis):
8928 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8929 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
8931 def do_get_outputs(self, m, pis):
8932 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8933 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
8936 r"""do_destroy(TripletModifier self)"""
8937 return _IMP_kernel.TripletModifier_do_destroy(self)
8940 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
8942 r"""Proxy of C++ IMP::TripletScore class."""
8944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8946 def __init__(self, *args):
8947 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
8948 if self.__class__ == TripletScore:
8952 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
8954 if self.__class__ != TripletScore:
8955 _director_objects.register(self)
8960 def evaluate_index(self, m, vt, da):
8961 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
8962 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
8964 def check_indexes(self, m, pis):
8965 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8966 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
8968 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8969 r"""evaluate_indexes(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8970 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8972 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8973 r"""evaluate_indexes_scores(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8974 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8976 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8977 r"""evaluate_indexes_delta(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8978 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8980 def evaluate_if_good_index(self, m, vt, da, max):
8981 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
8982 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
8984 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8985 r"""evaluate_if_good_indexes(TripletScore self, Model m, IMP::ParticleIndexTriplets const & o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8986 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8988 def create_current_decomposition(self, m, vt):
8989 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8990 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
8992 def do_create_current_decomposition(self, m, vt):
8993 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8994 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
8995 __swig_destroy__ = _IMP_kernel.delete_TripletScore
8998 r"""__str__(TripletScore self) -> std::string"""
8999 return _IMP_kernel.TripletScore___str__(self)
9002 r"""__repr__(TripletScore self) -> std::string"""
9003 return _IMP_kernel.TripletScore___repr__(self)
9007 return _object_cast_to_TripletScore(o)
9010 def do_show(self, out):
9015 return _object_cast_to_TripletScore(o)
9017 def __disown__(self):
9019 _IMP_kernel.disown_TripletScore(self)
9020 return weakref.proxy(self)
9022 def do_get_inputs(self, m, pis):
9023 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9024 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
9027 r"""do_destroy(TripletScore self)"""
9028 return _IMP_kernel.TripletScore_do_destroy(self)
9031 _IMP_kernel.TripletScore_swigregister(TripletScore)
9033 r"""Proxy of C++ IMP::TripletPredicate class."""
9035 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9037 def __init__(self, *args):
9038 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
9039 if self.__class__ == TripletPredicate:
9043 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
9045 if self.__class__ != TripletPredicate:
9046 _director_objects.register(self)
9051 def setup_for_get_value_index_in_batch(self, arg0):
9052 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
9053 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
9055 def get_value_index_in_batch(self, m, vt):
9056 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9057 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
9059 def __call__(self, m, vt):
9060 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9061 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
9063 def get_value_index(self, *args):
9065 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
9066 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
9068 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
9069 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
9072 r"""__str__(TripletPredicate self) -> std::string"""
9073 return _IMP_kernel.TripletPredicate___str__(self)
9076 r"""__repr__(TripletPredicate self) -> std::string"""
9077 return _IMP_kernel.TripletPredicate___repr__(self)
9081 return _object_cast_to_TripletPredicate(o)
9084 def do_show(self, out):
9089 return _object_cast_to_TripletPredicate(o)
9091 def __disown__(self):
9093 _IMP_kernel.disown_TripletPredicate(self)
9094 return weakref.proxy(self)
9096 def do_get_inputs(self, m, pis):
9097 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9098 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
9101 r"""do_destroy(TripletPredicate self)"""
9102 return _IMP_kernel.TripletPredicate_do_destroy(self)
9105 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
9107 r"""Proxy of C++ IMP::TripletContainer class."""
9109 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9111 def apply_generic(self, m):
9112 r"""apply_generic(TripletContainer self, TripletModifier m)"""
9113 return _IMP_kernel.TripletContainer_apply_generic(self, m)
9115 def apply_generic_moved(self, m, moved_pis, reset_pis):
9116 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9117 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
9119 def apply(self, sm):
9120 r"""apply(TripletContainer self, TripletModifier sm)"""
9121 return _IMP_kernel.TripletContainer_apply(self, sm)
9123 def apply_moved(self, sm, moved_pis, reset_pis):
9124 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9125 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
9127 def get_range_indexes(self):
9128 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9129 return _IMP_kernel.TripletContainer_get_range_indexes(self)
9131 def get_contents(self):
9132 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
9133 return _IMP_kernel.TripletContainer_get_contents(self)
9136 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9137 return _IMP_kernel.TripletContainer_get_indexes(self)
9139 def get(self, *args):
9141 get(TripletContainer self) -> IMP::ParticleTripletsTemp
9142 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
9144 return _IMP_kernel.TripletContainer_get(self, *args)
9146 def get_number(self):
9147 r"""get_number(TripletContainer self) -> unsigned int"""
9148 return _IMP_kernel.TripletContainer_get_number(self)
9150 def __init__(self, *args):
9152 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
9153 __init__(TripletContainer self) -> TripletContainer
9155 if self.__class__ == TripletContainer:
9159 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
9161 if self.__class__ != TripletContainer:
9162 _director_objects.register(self)
9167 def do_apply(self, sm):
9168 r"""do_apply(TripletContainer self, TripletModifier sm)"""
9169 return _IMP_kernel.TripletContainer_do_apply(self, sm)
9171 def do_apply_moved(self, sm, moved_pis, reset_pis):
9172 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9173 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
9175 def do_get_provides_access(self):
9176 r"""do_get_provides_access(TripletContainer self) -> bool"""
9177 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
9178 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
9181 r"""__str__(TripletContainer self) -> std::string"""
9182 return _IMP_kernel.TripletContainer___str__(self)
9185 r"""__repr__(TripletContainer self) -> std::string"""
9186 return _IMP_kernel.TripletContainer___repr__(self)
9190 return _object_cast_to_TripletContainer(o)
9193 def do_show(self, out):
9198 return _object_cast_to_TripletContainer(o)
9200 def __disown__(self):
9202 _IMP_kernel.disown_TripletContainer(self)
9203 return weakref.proxy(self)
9206 r"""do_destroy(TripletContainer self)"""
9207 return _IMP_kernel.TripletContainer_do_destroy(self)
9209 def handle_set_has_required_score_states(self, arg0):
9210 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
9211 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
9213 def do_get_inputs(self):
9214 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
9215 return _IMP_kernel.TripletContainer_do_get_inputs(self)
9217 def do_get_interactions(self):
9218 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
9219 return _IMP_kernel.TripletContainer_do_get_interactions(self)
9221 def do_get_contents_hash(self):
9222 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
9223 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
9226 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
9227 class _TripletContainerAdaptor(_InputAdaptor):
9228 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
9230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9231 __repr__ = _swig_repr
9233 def __init__(self, *args):
9235 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
9236 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
9237 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
9239 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
9241 def set_name_if_default(self, name):
9242 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
9243 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
9244 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
9247 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
9250 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
9251 return _IMP_kernel.write_particles_to_buffer(particles, keys)
9254 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
9255 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
9258 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
9259 return _IMP_kernel.get_particles(m, ps)
9263 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
9264 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
9266 return _IMP_kernel.get_indexes(*args)
9267 class _ParticleIndexAdaptor(object):
9268 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
9270 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9271 __repr__ = _swig_repr
9273 def __init__(self, *args):
9275 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
9276 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
9277 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
9279 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
9280 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
9283 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
9284 class _ParticleIndexesAdaptor(_InputAdaptor):
9285 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
9287 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9288 __repr__ = _swig_repr
9290 def __init__(self, *args):
9292 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
9293 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
9294 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
9296 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
9297 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
9300 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
9301 class _ParticleIndexPairsAdaptor(object):
9302 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
9304 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9305 __repr__ = _swig_repr
9307 def __init__(self, *args):
9309 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
9310 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
9311 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
9313 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
9314 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
9317 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
9319 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
9321 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9323 def __init__(self, *args):
9325 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
9326 __init__(_ConstRestraint self) -> _ConstRestraint
9328 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
9330 def get_value(self):
9331 r"""get_value(_ConstRestraint self) -> double"""
9332 return _IMP_kernel._ConstRestraint_get_value(self)
9334 def do_create_decomposition(self):
9335 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
9336 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
9338 def do_get_inputs(self):
9339 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
9340 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
9343 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
9344 return _IMP_kernel._ConstRestraint_get_version_info(self)
9345 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
9348 r"""__str__(_ConstRestraint self) -> std::string"""
9349 return _IMP_kernel._ConstRestraint___str__(self)
9352 r"""__repr__(_ConstRestraint self) -> std::string"""
9353 return _IMP_kernel._ConstRestraint___repr__(self)
9357 return _object_cast_to__ConstRestraint(o)
9360 def _get_as_binary(self):
9361 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
9362 return _IMP_kernel._ConstRestraint__get_as_binary(self)
9364 def _set_from_binary(self, p):
9365 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
9366 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
9368 def __getstate__(self):
9369 p = self._get_as_binary()
9370 if len(self.__dict__) > 1:
9371 d = self.__dict__.copy()
9376 def __setstate__(self, p):
9377 if not hasattr(self,
'this'):
9379 if isinstance(p, tuple):
9381 self.__dict__.update(d)
9382 return self._set_from_binary(p)
9386 value = self.get_value()
9388 return self._wrap_jax(
lambda jm: value)
9392 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
9394 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
9396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9398 def __init__(self, *args):
9400 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
9401 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
9403 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
9405 def get_value(self):
9406 r"""get_value(_ConstSingletonScore self) -> double"""
9407 return _IMP_kernel._ConstSingletonScore_get_value(self)
9409 def do_get_inputs(self, arg2, arg3):
9410 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9411 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
9413 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9414 r"""evaluate_indexes(_ConstSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
9415 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9417 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9418 r"""evaluate_indexes_scores(_ConstSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9419 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9421 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9422 r"""evaluate_indexes_delta(_ConstSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9423 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9425 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9426 r"""evaluate_if_good_indexes(_ConstSingletonScore 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"""
9427 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9430 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
9431 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
9432 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
9435 r"""__str__(_ConstSingletonScore self) -> std::string"""
9436 return _IMP_kernel._ConstSingletonScore___str__(self)
9439 r"""__repr__(_ConstSingletonScore self) -> std::string"""
9440 return _IMP_kernel._ConstSingletonScore___repr__(self)
9444 return _object_cast_to__ConstSingletonScore(o)
9447 def _get_as_binary(self):
9448 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
9449 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
9451 def _set_from_binary(self, p):
9452 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
9453 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
9455 def __getstate__(self):
9456 p = self._get_as_binary()
9457 if len(self.__dict__) > 1:
9458 d = self.__dict__.copy()
9463 def __setstate__(self, p):
9464 if not hasattr(self,
'this'):
9466 if isinstance(p, tuple):
9468 self.__dict__.update(d)
9469 return self._set_from_binary(p)
9472 def _get_jax(self, m, indexes):
9473 value = self.get_value()
9475 return self._wrap_jax(m,
lambda jm: value)
9479 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
9481 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
9483 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9485 def __init__(self, *args):
9487 __init__(_ConstPairScore self, double v) -> _ConstPairScore
9488 __init__(_ConstPairScore self) -> _ConstPairScore
9490 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
9492 def get_value(self):
9493 r"""get_value(_ConstPairScore self) -> double"""
9494 return _IMP_kernel._ConstPairScore_get_value(self)
9496 def do_get_inputs(self, arg2, arg3):
9497 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9498 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
9500 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9501 r"""evaluate_indexes(_ConstPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
9502 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9504 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9505 r"""evaluate_indexes_scores(_ConstPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9506 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9508 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9509 r"""evaluate_indexes_delta(_ConstPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
9510 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9512 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9513 r"""evaluate_if_good_indexes(_ConstPairScore 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"""
9514 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9517 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
9518 return _IMP_kernel._ConstPairScore_get_version_info(self)
9519 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
9522 r"""__str__(_ConstPairScore self) -> std::string"""
9523 return _IMP_kernel._ConstPairScore___str__(self)
9526 r"""__repr__(_ConstPairScore self) -> std::string"""
9527 return _IMP_kernel._ConstPairScore___repr__(self)
9531 return _object_cast_to__ConstPairScore(o)
9534 def _get_as_binary(self):
9535 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
9536 return _IMP_kernel._ConstPairScore__get_as_binary(self)
9538 def _set_from_binary(self, p):
9539 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
9540 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
9542 def __getstate__(self):
9543 p = self._get_as_binary()
9544 if len(self.__dict__) > 1:
9545 d = self.__dict__.copy()
9550 def __setstate__(self, p):
9551 if not hasattr(self,
'this'):
9553 if isinstance(p, tuple):
9555 self.__dict__.update(d)
9556 return self._set_from_binary(p)
9559 def _get_jax(self, m, indexes):
9560 value = self.get_value()
9562 return self._wrap_jax(m,
lambda jm: value)
9566 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
9568 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
9570 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9572 def __init__(self, *args):
9574 __init__(_TrivialDecorator self) -> _TrivialDecorator
9575 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
9576 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
9578 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
9580 def show(self, *args):
9581 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
9582 return _IMP_kernel._TrivialDecorator_show(self, *args)
9585 def setup_particle(*args):
9587 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
9588 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
9590 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
9593 def get_is_setup(*args):
9595 get_is_setup(_ParticleAdaptor p) -> bool
9596 get_is_setup(Model m, ParticleIndex pi) -> bool
9598 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
9602 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
9603 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9604 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9605 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9606 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9607 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
9608 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9609 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
9610 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9611 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9612 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9613 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9615 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
9617 def get_value(self, *args):
9619 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
9620 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
9621 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
9622 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
9623 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
9624 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
9625 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
9626 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
9627 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
9628 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
9629 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9631 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
9633 def set_value(self, *args):
9635 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9636 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9637 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9638 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9639 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
9640 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9641 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
9642 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9643 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9644 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9645 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9647 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
9651 remove_attribute(_TrivialDecorator self, FloatKey a0)
9652 remove_attribute(_TrivialDecorator self, IntKey a0)
9653 remove_attribute(_TrivialDecorator self, FloatsKey a0)
9654 remove_attribute(_TrivialDecorator self, IntsKey a0)
9655 remove_attribute(_TrivialDecorator self, StringKey a0)
9656 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
9657 remove_attribute(_TrivialDecorator self, ObjectKey a0)
9658 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
9659 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
9660 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
9661 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
9663 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
9665 def has_attribute(self, *args):
9667 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
9668 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
9669 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
9670 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
9671 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
9672 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
9673 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
9674 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
9675 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
9676 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
9677 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
9679 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
9681 def get_derivative(self, a0):
9682 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
9683 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
9686 r"""get_name(_TrivialDecorator self) -> std::string"""
9687 return _IMP_kernel._TrivialDecorator_get_name(self)
9690 r"""clear_caches(_TrivialDecorator self)"""
9691 return _IMP_kernel._TrivialDecorator_clear_caches(self)
9693 def set_name(self, a0):
9694 r"""set_name(_TrivialDecorator self, std::string a0)"""
9695 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
9698 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
9699 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
9701 def add_to_derivative(self, a0, a1, a2):
9702 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9703 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
9706 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
9707 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
9709 def get_is_optimized(self, a0):
9710 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
9711 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
9713 def get_check_level(self):
9714 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
9715 return _IMP_kernel._TrivialDecorator_get_check_level(self)
9717 def __eq__(self, *args):
9719 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9720 __eq__(_TrivialDecorator self, Particle d) -> bool
9722 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
9724 def __ne__(self, *args):
9726 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9727 __ne__(_TrivialDecorator self, Particle d) -> bool
9729 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
9731 def __le__(self, *args):
9733 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9734 __le__(_TrivialDecorator self, Particle d) -> bool
9736 return _IMP_kernel._TrivialDecorator___le__(self, *args)
9738 def __lt__(self, *args):
9740 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9741 __lt__(_TrivialDecorator self, Particle d) -> bool
9743 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
9745 def __ge__(self, *args):
9747 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9748 __ge__(_TrivialDecorator self, Particle d) -> bool
9750 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
9752 def __gt__(self, *args):
9754 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9755 __gt__(_TrivialDecorator self, Particle d) -> bool
9757 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
9760 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
9761 return _IMP_kernel._TrivialDecorator___hash__(self)
9764 r"""__str__(_TrivialDecorator self) -> std::string"""
9765 return _IMP_kernel._TrivialDecorator___str__(self)
9768 r"""__repr__(_TrivialDecorator self) -> std::string"""
9769 return _IMP_kernel._TrivialDecorator___repr__(self)
9771 def _get_as_binary(self):
9772 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
9773 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
9775 def _set_from_binary(self, p):
9776 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
9777 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
9779 def __getstate__(self):
9780 p = self._get_as_binary()
9781 if len(self.__dict__) > 1:
9782 d = self.__dict__.copy()
9787 def __setstate__(self, p):
9788 if not hasattr(self,
'this'):
9790 if isinstance(p, tuple):
9792 self.__dict__.update(d)
9793 return self._set_from_binary(p)
9795 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
9798 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
9799 class _TrivialDerivedDecorator(_TrivialDecorator):
9800 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
9802 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9804 def __init__(self, *args):
9806 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
9807 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
9808 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
9810 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
9812 def show(self, *args):
9813 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
9814 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
9817 def setup_particle(*args):
9819 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
9820 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
9822 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
9825 def get_is_setup(*args):
9827 get_is_setup(_ParticleAdaptor p) -> bool
9828 get_is_setup(Model m, ParticleIndex pi) -> bool
9830 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
9834 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
9835 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9836 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9837 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9838 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9839 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9840 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9841 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9842 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9843 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9844 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9845 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9847 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
9849 def get_value(self, *args):
9851 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
9852 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
9853 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
9854 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
9855 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
9856 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
9857 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
9858 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
9859 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
9860 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
9861 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9863 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
9865 def set_value(self, *args):
9867 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9868 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9869 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9870 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9871 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9872 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9873 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9874 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9875 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9876 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9877 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9879 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
9883 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
9884 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
9885 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
9886 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
9887 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
9888 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
9889 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
9890 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
9891 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
9892 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
9893 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
9895 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
9897 def has_attribute(self, *args):
9899 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
9900 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
9901 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
9902 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
9903 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
9904 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
9905 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
9906 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
9907 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
9908 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
9909 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
9911 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
9913 def get_derivative(self, a0):
9914 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
9915 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
9918 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
9919 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
9922 r"""clear_caches(_TrivialDerivedDecorator self)"""
9923 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
9925 def set_name(self, a0):
9926 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
9927 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
9930 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
9931 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
9933 def add_to_derivative(self, a0, a1, a2):
9934 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9935 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
9938 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
9939 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
9941 def get_is_optimized(self, a0):
9942 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
9943 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
9945 def get_check_level(self):
9946 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
9947 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
9949 def __eq__(self, *args):
9951 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9952 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
9954 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
9956 def __ne__(self, *args):
9958 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9959 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
9961 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
9963 def __le__(self, *args):
9965 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9966 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
9968 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
9970 def __lt__(self, *args):
9972 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9973 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
9975 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
9977 def __ge__(self, *args):
9979 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9980 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
9982 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
9984 def __gt__(self, *args):
9986 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9987 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
9989 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
9992 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
9993 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
9996 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
9997 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
10000 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
10001 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
10003 def _get_as_binary(self):
10004 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
10005 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
10007 def _set_from_binary(self, p):
10008 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
10009 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
10011 def __getstate__(self):
10012 p = self._get_as_binary()
10013 if len(self.__dict__) > 1:
10014 d = self.__dict__.copy()
10019 def __setstate__(self, p):
10020 if not hasattr(self,
'this'):
10022 if isinstance(p, tuple):
10024 self.__dict__.update(d)
10025 return self._set_from_binary(p)
10027 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
10030 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
10031 class _TrivialTraitsDecorator(
Decorator):
10032 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
10034 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10036 def get_decorator_traits(self):
10037 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
10038 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
10041 def get_default_decorator_traits():
10042 r"""get_default_decorator_traits() -> StringKey"""
10043 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
10045 def __init__(self, *args):
10047 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
10048 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10049 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10051 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
10053 def show(self, *args):
10054 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
10055 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
10058 def setup_particle(*args):
10060 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10061 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10063 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
10066 def get_is_setup(*args):
10068 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
10069 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
10071 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
10074 def get_default_key():
10075 r"""get_default_key() -> StringKey"""
10076 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
10080 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
10081 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10082 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10083 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10084 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10085 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10086 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10087 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10088 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10089 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10090 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10091 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10093 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
10095 def get_value(self, *args):
10097 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
10098 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
10099 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
10100 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
10101 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
10102 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
10103 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
10104 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
10105 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
10106 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
10107 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
10109 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
10111 def set_value(self, *args):
10113 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10114 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10115 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10116 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10117 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10118 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10119 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10120 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10121 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10122 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10123 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10125 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
10129 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
10130 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
10131 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
10132 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
10133 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
10134 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
10135 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
10136 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
10137 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
10138 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
10139 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
10141 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
10143 def has_attribute(self, *args):
10145 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
10146 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
10147 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
10148 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
10149 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
10150 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
10151 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
10152 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
10153 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
10154 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
10155 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
10157 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
10159 def get_derivative(self, a0):
10160 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
10161 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
10163 def get_name(self):
10164 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
10165 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
10168 r"""clear_caches(_TrivialTraitsDecorator self)"""
10169 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
10171 def set_name(self, a0):
10172 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
10173 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
10176 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
10177 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
10179 def add_to_derivative(self, a0, a1, a2):
10180 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10181 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
10184 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
10185 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
10187 def get_is_optimized(self, a0):
10188 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
10189 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
10191 def get_check_level(self):
10192 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
10193 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
10195 def __eq__(self, *args):
10197 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10198 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
10200 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
10202 def __ne__(self, *args):
10204 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10205 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
10207 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
10209 def __le__(self, *args):
10211 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10212 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
10214 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
10216 def __lt__(self, *args):
10218 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10219 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
10221 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
10223 def __ge__(self, *args):
10225 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10226 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
10228 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
10230 def __gt__(self, *args):
10232 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10233 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
10235 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
10237 def __hash__(self):
10238 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
10239 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
10242 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
10243 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
10245 def __repr__(self):
10246 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
10247 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
10248 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
10251 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
10253 def __lshift__(*args):
10255 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
10256 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
10257 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
10259 return _IMP_kernel.__lshift__(*args)
10261 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
10263 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10265 def __init__(self, *args):
10267 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
10268 __init__(_ConstOptimizer self) -> _ConstOptimizer
10270 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
10272 def do_optimize(self, max_steps):
10273 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
10274 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
10277 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
10278 return _IMP_kernel._ConstOptimizer_get_version_info(self)
10279 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
10282 r"""__str__(_ConstOptimizer self) -> std::string"""
10283 return _IMP_kernel._ConstOptimizer___str__(self)
10285 def __repr__(self):
10286 r"""__repr__(_ConstOptimizer self) -> std::string"""
10287 return _IMP_kernel._ConstOptimizer___repr__(self)
10291 return _object_cast_to__ConstOptimizer(o)
10294 def _get_as_binary(self):
10295 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
10296 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
10298 def _set_from_binary(self, p):
10299 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
10300 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
10302 def __getstate__(self):
10303 p = self._get_as_binary()
10304 if len(self.__dict__) > 1:
10305 d = self.__dict__.copy()
10310 def __setstate__(self, p):
10311 if not hasattr(self,
'this'):
10313 if isinstance(p, tuple):
10315 self.__dict__.update(d)
10316 return self._set_from_binary(p)
10320 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
10323 r"""get_particle(Particle p) -> Particle"""
10324 return _IMP_kernel.get_particle(p)
10326 def _decorator_test(p):
10327 r"""_decorator_test(Particle p)"""
10328 return _IMP_kernel._decorator_test(p)
10330 def _overloaded_decorator(*args):
10332 _overloaded_decorator(_TrivialDecorator a) -> int
10333 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
10335 return _IMP_kernel._overloaded_decorator(*args)
10337 def _take_particles(*args):
10339 _take_particles(IMP::Particles const & ps) -> unsigned int
10340 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
10341 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
10343 return _IMP_kernel._take_particles(*args)
10345 def _give_particles(m):
10346 r"""_give_particles(Model m) -> IMP::Particles const &"""
10347 return _IMP_kernel._give_particles(m)
10349 def _pass_particles(ps):
10350 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
10351 return _IMP_kernel._pass_particles(ps)
10353 def _pass_particle(ps):
10354 r"""_pass_particle(Particle ps) -> Particle"""
10355 return _IMP_kernel._pass_particle(ps)
10357 def _pass_particle_pair(pp):
10358 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
10359 return _IMP_kernel._pass_particle_pair(pp)
10361 def _give_particles_copy(m):
10362 r"""_give_particles_copy(Model m) -> IMP::Particles"""
10363 return _IMP_kernel._give_particles_copy(m)
10365 def _pass_float_keys(input):
10366 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
10367 return _IMP_kernel._pass_float_keys(input)
10371 _pass(IMP::Particles const & p) -> IMP::Particles const
10372 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
10374 return _IMP_kernel._pass(*args)
10376 def _pass_decorators(p):
10377 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
10378 return _IMP_kernel._pass_decorators(p)
10380 def _pass_decorator_traits(p):
10381 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
10382 return _IMP_kernel._pass_decorator_traits(p)
10384 def _pass_particle_pairs(p):
10385 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
10386 return _IMP_kernel._pass_particle_pairs(p)
10388 def _pass_particle_index_pairs(p):
10389 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
10390 return _IMP_kernel._pass_particle_index_pairs(p)
10392 def _pass_model_objects(p):
10393 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
10394 return _IMP_kernel._pass_model_objects(p)
10396 def _pass_particles_temps(ps):
10397 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
10398 return _IMP_kernel._pass_particles_temps(ps)
10400 def _test_overload(*args):
10402 _test_overload(IMP::Particles const & ps) -> int
10403 _test_overload(IMP::Restraints const & ps) -> int
10405 return _IMP_kernel._test_overload(*args)
10407 def _get_range(m, k):
10408 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
10409 return _IMP_kernel._get_range(m, k)
10411 def _create_particles_from_pdb(name, m):
10412 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
10413 return _IMP_kernel._create_particles_from_pdb(name, m)
10415 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
10417 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10418 __repr__ = _swig_repr
10420 def __init__(self):
10421 r"""__init__(_LogPairScore self) -> _LogPairScore"""
10422 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
10424 def do_get_inputs(self, arg2, arg3):
10425 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
10426 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
10428 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10429 r"""evaluate_indexes(_LogPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10430 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10432 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10433 r"""evaluate_indexes_scores(_LogPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10434 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10436 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10437 r"""evaluate_indexes_delta(_LogPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10438 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10440 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10441 r"""evaluate_if_good_indexes(_LogPairScore 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"""
10442 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10445 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
10446 return _IMP_kernel._LogPairScore_get_version_info(self)
10447 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
10449 def get_particle_pairs(self):
10450 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
10451 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
10454 r"""clear(_LogPairScore self)"""
10455 return _IMP_kernel._LogPairScore_clear(self)
10457 def get_contains(self, pp):
10458 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
10459 return _IMP_kernel._LogPairScore_get_contains(self, pp)
10462 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
10464 def _overloaded_particles(*args):
10466 _overloaded_particles(Particle arg1)
10467 _overloaded_particles(IMP::Particles const & arg1)
10468 _overloaded_particles(IMP::ParticlesTemp const & arg1)
10469 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
10470 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
10471 _overloaded_particles(_TrivialDecorator arg1)
10473 return _IMP_kernel._overloaded_particles(*args)
10474 class _ImplicitParticles(object):
10475 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
10477 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10478 __repr__ = _swig_repr
10480 def __init__(self, *args):
10482 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
10483 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
10484 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
10485 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
10486 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
10487 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
10489 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
10490 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
10493 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
10495 def _implicit_particles(arg1):
10496 r"""_implicit_particles(_ImplicitParticles arg1)"""
10497 return _IMP_kernel._implicit_particles(arg1)
10499 def _take_particle_adaptor(pa):
10500 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
10501 return _IMP_kernel._take_particle_adaptor(pa)
10503 def _take_particle_indexes_adaptor(pa):
10504 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
10505 return _IMP_kernel._take_particle_indexes_adaptor(pa)
10506 class Vector1D(_VectorBase1D):
10507 r"""Proxy of C++ IMP::VectorD< 1 > class."""
10509 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10511 def get_unit_vector(self):
10512 r"""get_unit_vector(Vector1D self) -> Vector1D"""
10513 return _IMP_kernel.Vector1D_get_unit_vector(self)
10515 def __truediv__(self, *args):
10516 return _IMP_kernel.Vector1D___truediv__(self, *args)
10517 __div__ = __truediv__
10522 r"""__neg__(Vector1D self) -> Vector1D"""
10523 return _IMP_kernel.Vector1D___neg__(self)
10525 def __sub__(self, o):
10526 r"""__sub__(Vector1D self, Vector1D o) -> Vector1D"""
10527 return _IMP_kernel.Vector1D___sub__(self, o)
10529 def __add__(self, ret):
10530 r"""__add__(Vector1D self, Vector1D ret) -> Vector1D"""
10531 return _IMP_kernel.Vector1D___add__(self, ret)
10533 def __mul__(self, *args):
10535 __mul__(Vector1D self, double s) -> Vector1D
10536 __mul__(Vector1D self, Vector1D o) -> double
10538 return _IMP_kernel.Vector1D___mul__(self, *args)
10540 def __init__(self, *args):
10542 __init__(Vector1D self, IMP::Floats const & f) -> Vector1D
10543 __init__(Vector1D self) -> Vector1D
10544 __init__(Vector1D self, double x) -> Vector1D
10546 _IMP_kernel.Vector1D_swiginit(self, _IMP_kernel.new_Vector1D(*args))
10548 def __iadd__(self, *args):
10549 _IMP_kernel.Vector1D___iadd__(self, *args)
10554 def __imul__(self, *args):
10555 _IMP_kernel.Vector1D___imul__(self, *args)
10560 def __idiv__(self, *args):
10561 _IMP_kernel.Vector1D___idiv__(self, *args)
10566 def __isub__(self, *args):
10567 _IMP_kernel.Vector1D___isub__(self, *args)
10573 r"""__len__(Vector1D self) -> unsigned int"""
10574 return _IMP_kernel.Vector1D___len__(self)
10576 def __rmul__(self, f):
10577 r"""__rmul__(Vector1D self, double f) -> Vector1D"""
10578 return _IMP_kernel.Vector1D___rmul__(self, f)
10581 r"""__str__(Vector1D self) -> std::string"""
10582 return _IMP_kernel.Vector1D___str__(self)
10584 def __repr__(self):
10585 r"""__repr__(Vector1D self) -> std::string"""
10586 return _IMP_kernel.Vector1D___repr__(self)
10588 def __cmp__(self, arg2):
10589 r"""__cmp__(Vector1D self, Vector1D arg2) -> int"""
10590 return _IMP_kernel.Vector1D___cmp__(self, arg2)
10592 def __eq__(self, arg2):
10593 r"""__eq__(Vector1D self, Vector1D arg2) -> bool"""
10594 return _IMP_kernel.Vector1D___eq__(self, arg2)
10596 __truediv__ = __div__
10597 __itruediv__ = __idiv__
10600 def _get_as_binary(self):
10601 r"""_get_as_binary(Vector1D self) -> PyObject *"""
10602 return _IMP_kernel.Vector1D__get_as_binary(self)
10604 def _set_from_binary(self, p):
10605 r"""_set_from_binary(Vector1D self, PyObject * p)"""
10606 return _IMP_kernel.Vector1D__set_from_binary(self, p)
10608 def __getstate__(self):
10609 p = self._get_as_binary()
10610 if len(self.__dict__) > 1:
10611 d = self.__dict__.copy()
10616 def __setstate__(self, p):
10617 if not hasattr(self,
'this'):
10619 if isinstance(p, tuple):
10621 self.__dict__.update(d)
10622 return self._set_from_binary(p)
10625 def __getitem__(self, index):
10626 if isinstance(index, slice):
10627 return [self[i]
for i
in range(*index.indices(len(self)))]
10629 return _IMP_kernel.Vector1D___getitem__(self, index)
10633 def __setitem__(self, index, val):
10634 if isinstance(index, slice):
10635 if not hasattr(val,
'__iter__'):
10636 raise TypeError(
"must assign iterable to extended slice")
10637 inds = range(*index.indices(len(self)))
10638 if len(inds) != len(val):
10640 "attempt to assign sequence of size %d "
10641 "to extended slice of size %d" % (len(val), len(inds)))
10642 for ind, v
in zip(inds, val):
10645 return _IMP_kernel.Vector1D___setitem__(self, index, val)
10648 __swig_destroy__ = _IMP_kernel.delete_Vector1D
10651 _IMP_kernel.Vector1D_swigregister(Vector1D)
10652 class Vector2D(_VectorBase2D):
10653 r"""Proxy of C++ IMP::VectorD< 2 > class."""
10655 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10657 def get_unit_vector(self):
10658 r"""get_unit_vector(Vector2D self) -> Vector2D"""
10659 return _IMP_kernel.Vector2D_get_unit_vector(self)
10661 def __truediv__(self, *args):
10662 return _IMP_kernel.Vector2D___truediv__(self, *args)
10663 __div__ = __truediv__
10668 r"""__neg__(Vector2D self) -> Vector2D"""
10669 return _IMP_kernel.Vector2D___neg__(self)
10671 def __sub__(self, o):
10672 r"""__sub__(Vector2D self, Vector2D o) -> Vector2D"""
10673 return _IMP_kernel.Vector2D___sub__(self, o)
10675 def __add__(self, ret):
10676 r"""__add__(Vector2D self, Vector2D ret) -> Vector2D"""
10677 return _IMP_kernel.Vector2D___add__(self, ret)
10679 def __mul__(self, *args):
10681 __mul__(Vector2D self, double s) -> Vector2D
10682 __mul__(Vector2D self, Vector2D o) -> double
10684 return _IMP_kernel.Vector2D___mul__(self, *args)
10686 def __init__(self, *args):
10688 __init__(Vector2D self, IMP::Floats const & f) -> Vector2D
10689 __init__(Vector2D self) -> Vector2D
10690 __init__(Vector2D self, double x, double y) -> Vector2D
10692 _IMP_kernel.Vector2D_swiginit(self, _IMP_kernel.new_Vector2D(*args))
10694 def __iadd__(self, *args):
10695 _IMP_kernel.Vector2D___iadd__(self, *args)
10700 def __imul__(self, *args):
10701 _IMP_kernel.Vector2D___imul__(self, *args)
10706 def __idiv__(self, *args):
10707 _IMP_kernel.Vector2D___idiv__(self, *args)
10712 def __isub__(self, *args):
10713 _IMP_kernel.Vector2D___isub__(self, *args)
10719 r"""__len__(Vector2D self) -> unsigned int"""
10720 return _IMP_kernel.Vector2D___len__(self)
10722 def __rmul__(self, f):
10723 r"""__rmul__(Vector2D self, double f) -> Vector2D"""
10724 return _IMP_kernel.Vector2D___rmul__(self, f)
10727 r"""__str__(Vector2D self) -> std::string"""
10728 return _IMP_kernel.Vector2D___str__(self)
10730 def __repr__(self):
10731 r"""__repr__(Vector2D self) -> std::string"""
10732 return _IMP_kernel.Vector2D___repr__(self)
10734 def __cmp__(self, arg2):
10735 r"""__cmp__(Vector2D self, Vector2D arg2) -> int"""
10736 return _IMP_kernel.Vector2D___cmp__(self, arg2)
10738 def __eq__(self, arg2):
10739 r"""__eq__(Vector2D self, Vector2D arg2) -> bool"""
10740 return _IMP_kernel.Vector2D___eq__(self, arg2)
10742 __truediv__ = __div__
10743 __itruediv__ = __idiv__
10746 def _get_as_binary(self):
10747 r"""_get_as_binary(Vector2D self) -> PyObject *"""
10748 return _IMP_kernel.Vector2D__get_as_binary(self)
10750 def _set_from_binary(self, p):
10751 r"""_set_from_binary(Vector2D self, PyObject * p)"""
10752 return _IMP_kernel.Vector2D__set_from_binary(self, p)
10754 def __getstate__(self):
10755 p = self._get_as_binary()
10756 if len(self.__dict__) > 1:
10757 d = self.__dict__.copy()
10762 def __setstate__(self, p):
10763 if not hasattr(self,
'this'):
10765 if isinstance(p, tuple):
10767 self.__dict__.update(d)
10768 return self._set_from_binary(p)
10771 def __getitem__(self, index):
10772 if isinstance(index, slice):
10773 return [self[i]
for i
in range(*index.indices(len(self)))]
10775 return _IMP_kernel.Vector2D___getitem__(self, index)
10779 def __setitem__(self, index, val):
10780 if isinstance(index, slice):
10781 if not hasattr(val,
'__iter__'):
10782 raise TypeError(
"must assign iterable to extended slice")
10783 inds = range(*index.indices(len(self)))
10784 if len(inds) != len(val):
10786 "attempt to assign sequence of size %d "
10787 "to extended slice of size %d" % (len(val), len(inds)))
10788 for ind, v
in zip(inds, val):
10791 return _IMP_kernel.Vector2D___setitem__(self, index, val)
10794 __swig_destroy__ = _IMP_kernel.delete_Vector2D
10797 _IMP_kernel.Vector2D_swigregister(Vector2D)
10798 class Vector3D(_VectorBase3D):
10799 r"""Proxy of C++ IMP::VectorD< 3 > class."""
10801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10803 def get_unit_vector(self):
10804 r"""get_unit_vector(Vector3D self) -> Vector3D"""
10805 return _IMP_kernel.Vector3D_get_unit_vector(self)
10807 def __truediv__(self, *args):
10808 return _IMP_kernel.Vector3D___truediv__(self, *args)
10809 __div__ = __truediv__
10814 r"""__neg__(Vector3D self) -> Vector3D"""
10815 return _IMP_kernel.Vector3D___neg__(self)
10817 def __sub__(self, o):
10818 r"""__sub__(Vector3D self, Vector3D o) -> Vector3D"""
10819 return _IMP_kernel.Vector3D___sub__(self, o)
10821 def __add__(self, ret):
10822 r"""__add__(Vector3D self, Vector3D ret) -> Vector3D"""
10823 return _IMP_kernel.Vector3D___add__(self, ret)
10825 def __mul__(self, *args):
10827 __mul__(Vector3D self, double s) -> Vector3D
10828 __mul__(Vector3D self, Vector3D o) -> double
10830 return _IMP_kernel.Vector3D___mul__(self, *args)
10832 def __init__(self, *args):
10834 __init__(Vector3D self, IMP::Floats const & f) -> Vector3D
10835 __init__(Vector3D self) -> Vector3D
10836 __init__(Vector3D self, double x, double y, double z) -> Vector3D
10838 _IMP_kernel.Vector3D_swiginit(self, _IMP_kernel.new_Vector3D(*args))
10840 def __iadd__(self, *args):
10841 _IMP_kernel.Vector3D___iadd__(self, *args)
10846 def __imul__(self, *args):
10847 _IMP_kernel.Vector3D___imul__(self, *args)
10852 def __idiv__(self, *args):
10853 _IMP_kernel.Vector3D___idiv__(self, *args)
10858 def __isub__(self, *args):
10859 _IMP_kernel.Vector3D___isub__(self, *args)
10865 r"""__len__(Vector3D self) -> unsigned int"""
10866 return _IMP_kernel.Vector3D___len__(self)
10868 def __rmul__(self, f):
10869 r"""__rmul__(Vector3D self, double f) -> Vector3D"""
10870 return _IMP_kernel.Vector3D___rmul__(self, f)
10873 r"""__str__(Vector3D self) -> std::string"""
10874 return _IMP_kernel.Vector3D___str__(self)
10876 def __repr__(self):
10877 r"""__repr__(Vector3D self) -> std::string"""
10878 return _IMP_kernel.Vector3D___repr__(self)
10880 def __cmp__(self, arg2):
10881 r"""__cmp__(Vector3D self, Vector3D arg2) -> int"""
10882 return _IMP_kernel.Vector3D___cmp__(self, arg2)
10884 def __eq__(self, arg2):
10885 r"""__eq__(Vector3D self, Vector3D arg2) -> bool"""
10886 return _IMP_kernel.Vector3D___eq__(self, arg2)
10888 __truediv__ = __div__
10889 __itruediv__ = __idiv__
10892 def _get_as_binary(self):
10893 r"""_get_as_binary(Vector3D self) -> PyObject *"""
10894 return _IMP_kernel.Vector3D__get_as_binary(self)
10896 def _set_from_binary(self, p):
10897 r"""_set_from_binary(Vector3D self, PyObject * p)"""
10898 return _IMP_kernel.Vector3D__set_from_binary(self, p)
10900 def __getstate__(self):
10901 p = self._get_as_binary()
10902 if len(self.__dict__) > 1:
10903 d = self.__dict__.copy()
10908 def __setstate__(self, p):
10909 if not hasattr(self,
'this'):
10911 if isinstance(p, tuple):
10913 self.__dict__.update(d)
10914 return self._set_from_binary(p)
10917 def __getitem__(self, index):
10918 if isinstance(index, slice):
10919 return [self[i]
for i
in range(*index.indices(len(self)))]
10921 return _IMP_kernel.Vector3D___getitem__(self, index)
10925 def __setitem__(self, index, val):
10926 if isinstance(index, slice):
10927 if not hasattr(val,
'__iter__'):
10928 raise TypeError(
"must assign iterable to extended slice")
10929 inds = range(*index.indices(len(self)))
10930 if len(inds) != len(val):
10932 "attempt to assign sequence of size %d "
10933 "to extended slice of size %d" % (len(val), len(inds)))
10934 for ind, v
in zip(inds, val):
10937 return _IMP_kernel.Vector3D___setitem__(self, index, val)
10940 __swig_destroy__ = _IMP_kernel.delete_Vector3D
10943 _IMP_kernel.Vector3D_swigregister(Vector3D)
10944 class Vector4D(_VectorBase4D):
10945 r"""Proxy of C++ IMP::VectorD< 4 > class."""
10947 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10949 def get_unit_vector(self):
10950 r"""get_unit_vector(Vector4D self) -> Vector4D"""
10951 return _IMP_kernel.Vector4D_get_unit_vector(self)
10953 def __truediv__(self, *args):
10954 return _IMP_kernel.Vector4D___truediv__(self, *args)
10955 __div__ = __truediv__
10960 r"""__neg__(Vector4D self) -> Vector4D"""
10961 return _IMP_kernel.Vector4D___neg__(self)
10963 def __sub__(self, o):
10964 r"""__sub__(Vector4D self, Vector4D o) -> Vector4D"""
10965 return _IMP_kernel.Vector4D___sub__(self, o)
10967 def __add__(self, ret):
10968 r"""__add__(Vector4D self, Vector4D ret) -> Vector4D"""
10969 return _IMP_kernel.Vector4D___add__(self, ret)
10971 def __mul__(self, *args):
10973 __mul__(Vector4D self, double s) -> Vector4D
10974 __mul__(Vector4D self, Vector4D o) -> double
10976 return _IMP_kernel.Vector4D___mul__(self, *args)
10978 def __init__(self, *args):
10980 __init__(Vector4D self, IMP::Floats const & f) -> Vector4D
10981 __init__(Vector4D self) -> Vector4D
10982 __init__(Vector4D self, double x0, double x1, double x2, double x3) -> Vector4D
10984 _IMP_kernel.Vector4D_swiginit(self, _IMP_kernel.new_Vector4D(*args))
10986 def __iadd__(self, *args):
10987 _IMP_kernel.Vector4D___iadd__(self, *args)
10992 def __imul__(self, *args):
10993 _IMP_kernel.Vector4D___imul__(self, *args)
10998 def __idiv__(self, *args):
10999 _IMP_kernel.Vector4D___idiv__(self, *args)
11004 def __isub__(self, *args):
11005 _IMP_kernel.Vector4D___isub__(self, *args)
11011 r"""__len__(Vector4D self) -> unsigned int"""
11012 return _IMP_kernel.Vector4D___len__(self)
11014 def __rmul__(self, f):
11015 r"""__rmul__(Vector4D self, double f) -> Vector4D"""
11016 return _IMP_kernel.Vector4D___rmul__(self, f)
11019 r"""__str__(Vector4D self) -> std::string"""
11020 return _IMP_kernel.Vector4D___str__(self)
11022 def __repr__(self):
11023 r"""__repr__(Vector4D self) -> std::string"""
11024 return _IMP_kernel.Vector4D___repr__(self)
11026 def __cmp__(self, arg2):
11027 r"""__cmp__(Vector4D self, Vector4D arg2) -> int"""
11028 return _IMP_kernel.Vector4D___cmp__(self, arg2)
11030 def __eq__(self, arg2):
11031 r"""__eq__(Vector4D self, Vector4D arg2) -> bool"""
11032 return _IMP_kernel.Vector4D___eq__(self, arg2)
11034 __truediv__ = __div__
11035 __itruediv__ = __idiv__
11038 def _get_as_binary(self):
11039 r"""_get_as_binary(Vector4D self) -> PyObject *"""
11040 return _IMP_kernel.Vector4D__get_as_binary(self)
11042 def _set_from_binary(self, p):
11043 r"""_set_from_binary(Vector4D self, PyObject * p)"""
11044 return _IMP_kernel.Vector4D__set_from_binary(self, p)
11046 def __getstate__(self):
11047 p = self._get_as_binary()
11048 if len(self.__dict__) > 1:
11049 d = self.__dict__.copy()
11054 def __setstate__(self, p):
11055 if not hasattr(self,
'this'):
11057 if isinstance(p, tuple):
11059 self.__dict__.update(d)
11060 return self._set_from_binary(p)
11063 def __getitem__(self, index):
11064 if isinstance(index, slice):
11065 return [self[i]
for i
in range(*index.indices(len(self)))]
11067 return _IMP_kernel.Vector4D___getitem__(self, index)
11071 def __setitem__(self, index, val):
11072 if isinstance(index, slice):
11073 if not hasattr(val,
'__iter__'):
11074 raise TypeError(
"must assign iterable to extended slice")
11075 inds = range(*index.indices(len(self)))
11076 if len(inds) != len(val):
11078 "attempt to assign sequence of size %d "
11079 "to extended slice of size %d" % (len(val), len(inds)))
11080 for ind, v
in zip(inds, val):
11083 return _IMP_kernel.Vector4D___setitem__(self, index, val)
11086 __swig_destroy__ = _IMP_kernel.delete_Vector4D
11089 _IMP_kernel.Vector4D_swigregister(Vector4D)
11090 class Vector5D(_VectorBase5D):
11091 r"""Proxy of C++ IMP::VectorD< 5 > class."""
11093 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11095 def get_unit_vector(self):
11096 r"""get_unit_vector(Vector5D self) -> Vector5D"""
11097 return _IMP_kernel.Vector5D_get_unit_vector(self)
11099 def __truediv__(self, *args):
11100 return _IMP_kernel.Vector5D___truediv__(self, *args)
11101 __div__ = __truediv__
11106 r"""__neg__(Vector5D self) -> Vector5D"""
11107 return _IMP_kernel.Vector5D___neg__(self)
11109 def __sub__(self, o):
11110 r"""__sub__(Vector5D self, Vector5D o) -> Vector5D"""
11111 return _IMP_kernel.Vector5D___sub__(self, o)
11113 def __add__(self, ret):
11114 r"""__add__(Vector5D self, Vector5D ret) -> Vector5D"""
11115 return _IMP_kernel.Vector5D___add__(self, ret)
11117 def __mul__(self, *args):
11119 __mul__(Vector5D self, double s) -> Vector5D
11120 __mul__(Vector5D self, Vector5D o) -> double
11122 return _IMP_kernel.Vector5D___mul__(self, *args)
11124 def __init__(self, *args):
11126 __init__(Vector5D self, IMP::Floats const & f) -> Vector5D
11127 __init__(Vector5D self) -> Vector5D
11128 __init__(Vector5D self, double x0, double x1, double x2, double x3, double x4) -> Vector5D
11130 _IMP_kernel.Vector5D_swiginit(self, _IMP_kernel.new_Vector5D(*args))
11132 def __iadd__(self, *args):
11133 _IMP_kernel.Vector5D___iadd__(self, *args)
11138 def __imul__(self, *args):
11139 _IMP_kernel.Vector5D___imul__(self, *args)
11144 def __idiv__(self, *args):
11145 _IMP_kernel.Vector5D___idiv__(self, *args)
11150 def __isub__(self, *args):
11151 _IMP_kernel.Vector5D___isub__(self, *args)
11157 r"""__len__(Vector5D self) -> unsigned int"""
11158 return _IMP_kernel.Vector5D___len__(self)
11160 def __rmul__(self, f):
11161 r"""__rmul__(Vector5D self, double f) -> Vector5D"""
11162 return _IMP_kernel.Vector5D___rmul__(self, f)
11165 r"""__str__(Vector5D self) -> std::string"""
11166 return _IMP_kernel.Vector5D___str__(self)
11168 def __repr__(self):
11169 r"""__repr__(Vector5D self) -> std::string"""
11170 return _IMP_kernel.Vector5D___repr__(self)
11172 def __cmp__(self, arg2):
11173 r"""__cmp__(Vector5D self, Vector5D arg2) -> int"""
11174 return _IMP_kernel.Vector5D___cmp__(self, arg2)
11176 def __eq__(self, arg2):
11177 r"""__eq__(Vector5D self, Vector5D arg2) -> bool"""
11178 return _IMP_kernel.Vector5D___eq__(self, arg2)
11180 __truediv__ = __div__
11181 __itruediv__ = __idiv__
11184 def _get_as_binary(self):
11185 r"""_get_as_binary(Vector5D self) -> PyObject *"""
11186 return _IMP_kernel.Vector5D__get_as_binary(self)
11188 def _set_from_binary(self, p):
11189 r"""_set_from_binary(Vector5D self, PyObject * p)"""
11190 return _IMP_kernel.Vector5D__set_from_binary(self, p)
11192 def __getstate__(self):
11193 p = self._get_as_binary()
11194 if len(self.__dict__) > 1:
11195 d = self.__dict__.copy()
11200 def __setstate__(self, p):
11201 if not hasattr(self,
'this'):
11203 if isinstance(p, tuple):
11205 self.__dict__.update(d)
11206 return self._set_from_binary(p)
11209 def __getitem__(self, index):
11210 if isinstance(index, slice):
11211 return [self[i]
for i
in range(*index.indices(len(self)))]
11213 return _IMP_kernel.Vector5D___getitem__(self, index)
11217 def __setitem__(self, index, val):
11218 if isinstance(index, slice):
11219 if not hasattr(val,
'__iter__'):
11220 raise TypeError(
"must assign iterable to extended slice")
11221 inds = range(*index.indices(len(self)))
11222 if len(inds) != len(val):
11224 "attempt to assign sequence of size %d "
11225 "to extended slice of size %d" % (len(val), len(inds)))
11226 for ind, v
in zip(inds, val):
11229 return _IMP_kernel.Vector5D___setitem__(self, index, val)
11232 __swig_destroy__ = _IMP_kernel.delete_Vector5D
11235 _IMP_kernel.Vector5D_swigregister(Vector5D)
11236 class Vector6D(_VectorBase6D):
11237 r"""Proxy of C++ IMP::VectorD< 6 > class."""
11239 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11241 def get_unit_vector(self):
11242 r"""get_unit_vector(Vector6D self) -> Vector6D"""
11243 return _IMP_kernel.Vector6D_get_unit_vector(self)
11245 def __truediv__(self, *args):
11246 return _IMP_kernel.Vector6D___truediv__(self, *args)
11247 __div__ = __truediv__
11252 r"""__neg__(Vector6D self) -> Vector6D"""
11253 return _IMP_kernel.Vector6D___neg__(self)
11255 def __sub__(self, o):
11256 r"""__sub__(Vector6D self, Vector6D o) -> Vector6D"""
11257 return _IMP_kernel.Vector6D___sub__(self, o)
11259 def __add__(self, ret):
11260 r"""__add__(Vector6D self, Vector6D ret) -> Vector6D"""
11261 return _IMP_kernel.Vector6D___add__(self, ret)
11263 def __mul__(self, *args):
11265 __mul__(Vector6D self, double s) -> Vector6D
11266 __mul__(Vector6D self, Vector6D o) -> double
11268 return _IMP_kernel.Vector6D___mul__(self, *args)
11270 def __init__(self, *args):
11272 __init__(Vector6D self, IMP::Floats const & f) -> Vector6D
11273 __init__(Vector6D self) -> Vector6D
11274 __init__(Vector6D self, double x0, double x1, double x2, double x3, double x4, double x5) -> Vector6D
11276 _IMP_kernel.Vector6D_swiginit(self, _IMP_kernel.new_Vector6D(*args))
11278 def __iadd__(self, *args):
11279 _IMP_kernel.Vector6D___iadd__(self, *args)
11284 def __imul__(self, *args):
11285 _IMP_kernel.Vector6D___imul__(self, *args)
11290 def __idiv__(self, *args):
11291 _IMP_kernel.Vector6D___idiv__(self, *args)
11296 def __isub__(self, *args):
11297 _IMP_kernel.Vector6D___isub__(self, *args)
11303 r"""__len__(Vector6D self) -> unsigned int"""
11304 return _IMP_kernel.Vector6D___len__(self)
11306 def __rmul__(self, f):
11307 r"""__rmul__(Vector6D self, double f) -> Vector6D"""
11308 return _IMP_kernel.Vector6D___rmul__(self, f)
11311 r"""__str__(Vector6D self) -> std::string"""
11312 return _IMP_kernel.Vector6D___str__(self)
11314 def __repr__(self):
11315 r"""__repr__(Vector6D self) -> std::string"""
11316 return _IMP_kernel.Vector6D___repr__(self)
11318 def __cmp__(self, arg2):
11319 r"""__cmp__(Vector6D self, Vector6D arg2) -> int"""
11320 return _IMP_kernel.Vector6D___cmp__(self, arg2)
11322 def __eq__(self, arg2):
11323 r"""__eq__(Vector6D self, Vector6D arg2) -> bool"""
11324 return _IMP_kernel.Vector6D___eq__(self, arg2)
11326 __truediv__ = __div__
11327 __itruediv__ = __idiv__
11330 def _get_as_binary(self):
11331 r"""_get_as_binary(Vector6D self) -> PyObject *"""
11332 return _IMP_kernel.Vector6D__get_as_binary(self)
11334 def _set_from_binary(self, p):
11335 r"""_set_from_binary(Vector6D self, PyObject * p)"""
11336 return _IMP_kernel.Vector6D__set_from_binary(self, p)
11338 def __getstate__(self):
11339 p = self._get_as_binary()
11340 if len(self.__dict__) > 1:
11341 d = self.__dict__.copy()
11346 def __setstate__(self, p):
11347 if not hasattr(self,
'this'):
11349 if isinstance(p, tuple):
11351 self.__dict__.update(d)
11352 return self._set_from_binary(p)
11355 def __getitem__(self, index):
11356 if isinstance(index, slice):
11357 return [self[i]
for i
in range(*index.indices(len(self)))]
11359 return _IMP_kernel.Vector6D___getitem__(self, index)
11363 def __setitem__(self, index, val):
11364 if isinstance(index, slice):
11365 if not hasattr(val,
'__iter__'):
11366 raise TypeError(
"must assign iterable to extended slice")
11367 inds = range(*index.indices(len(self)))
11368 if len(inds) != len(val):
11370 "attempt to assign sequence of size %d "
11371 "to extended slice of size %d" % (len(val), len(inds)))
11372 for ind, v
in zip(inds, val):
11375 return _IMP_kernel.Vector6D___setitem__(self, index, val)
11378 __swig_destroy__ = _IMP_kernel.delete_Vector6D
11381 _IMP_kernel.Vector6D_swigregister(Vector6D)
11382 class VectorKD(_VectorBaseKD):
11383 r"""Proxy of C++ IMP::VectorD< -1 > class."""
11385 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11387 def get_unit_vector(self):
11388 r"""get_unit_vector(VectorKD self) -> VectorKD"""
11389 return _IMP_kernel.VectorKD_get_unit_vector(self)
11391 def __truediv__(self, *args):
11392 return _IMP_kernel.VectorKD___truediv__(self, *args)
11393 __div__ = __truediv__
11398 r"""__neg__(VectorKD self) -> VectorKD"""
11399 return _IMP_kernel.VectorKD___neg__(self)
11401 def __sub__(self, o):
11402 r"""__sub__(VectorKD self, VectorKD o) -> VectorKD"""
11403 return _IMP_kernel.VectorKD___sub__(self, o)
11405 def __add__(self, ret):
11406 r"""__add__(VectorKD self, VectorKD ret) -> VectorKD"""
11407 return _IMP_kernel.VectorKD___add__(self, ret)
11409 def __mul__(self, *args):
11411 __mul__(VectorKD self, double s) -> VectorKD
11412 __mul__(VectorKD self, VectorKD o) -> double
11414 return _IMP_kernel.VectorKD___mul__(self, *args)
11416 def __init__(self, *args):
11418 __init__(VectorKD self, IMP::Floats const & f) -> VectorKD
11419 __init__(VectorKD self) -> VectorKD
11420 __init__(VectorKD self, double x0, double x1=std::numeric_limits< double >::max(), double x2=std::numeric_limits< double >::max(), double x3=std::numeric_limits< double >::max(), double x4=std::numeric_limits< double >::max(), double x5=std::numeric_limits< double >::max()) -> VectorKD
11422 _IMP_kernel.VectorKD_swiginit(self, _IMP_kernel.new_VectorKD(*args))
11424 def __iadd__(self, *args):
11425 _IMP_kernel.VectorKD___iadd__(self, *args)
11430 def __imul__(self, *args):
11431 _IMP_kernel.VectorKD___imul__(self, *args)
11436 def __idiv__(self, *args):
11437 _IMP_kernel.VectorKD___idiv__(self, *args)
11442 def __isub__(self, *args):
11443 _IMP_kernel.VectorKD___isub__(self, *args)
11449 r"""__len__(VectorKD self) -> unsigned int"""
11450 return _IMP_kernel.VectorKD___len__(self)
11452 def __rmul__(self, f):
11453 r"""__rmul__(VectorKD self, double f) -> VectorKD"""
11454 return _IMP_kernel.VectorKD___rmul__(self, f)
11457 r"""__str__(VectorKD self) -> std::string"""
11458 return _IMP_kernel.VectorKD___str__(self)
11460 def __repr__(self):
11461 r"""__repr__(VectorKD self) -> std::string"""
11462 return _IMP_kernel.VectorKD___repr__(self)
11464 def __cmp__(self, arg2):
11465 r"""__cmp__(VectorKD self, VectorKD arg2) -> int"""
11466 return _IMP_kernel.VectorKD___cmp__(self, arg2)
11468 def __eq__(self, arg2):
11469 r"""__eq__(VectorKD self, VectorKD arg2) -> bool"""
11470 return _IMP_kernel.VectorKD___eq__(self, arg2)
11472 __truediv__ = __div__
11473 __itruediv__ = __idiv__
11476 def _get_as_binary(self):
11477 r"""_get_as_binary(VectorKD self) -> PyObject *"""
11478 return _IMP_kernel.VectorKD__get_as_binary(self)
11480 def _set_from_binary(self, p):
11481 r"""_set_from_binary(VectorKD self, PyObject * p)"""
11482 return _IMP_kernel.VectorKD__set_from_binary(self, p)
11484 def __getstate__(self):
11485 p = self._get_as_binary()
11486 if len(self.__dict__) > 1:
11487 d = self.__dict__.copy()
11492 def __setstate__(self, p):
11493 if not hasattr(self,
'this'):
11495 if isinstance(p, tuple):
11497 self.__dict__.update(d)
11498 return self._set_from_binary(p)
11501 def __getitem__(self, index):
11502 if isinstance(index, slice):
11503 return [self[i]
for i
in range(*index.indices(len(self)))]
11505 return _IMP_kernel.VectorKD___getitem__(self, index)
11509 def __setitem__(self, index, val):
11510 if isinstance(index, slice):
11511 if not hasattr(val,
'__iter__'):
11512 raise TypeError(
"must assign iterable to extended slice")
11513 inds = range(*index.indices(len(self)))
11514 if len(inds) != len(val):
11516 "attempt to assign sequence of size %d "
11517 "to extended slice of size %d" % (len(val), len(inds)))
11518 for ind, v
in zip(inds, val):
11521 return _IMP_kernel.VectorKD___setitem__(self, index, val)
11524 __swig_destroy__ = _IMP_kernel.delete_VectorKD
11527 _IMP_kernel.VectorKD_swigregister(VectorKD)
11529 def get_basis_vector_1d(coordinate):
11530 r"""get_basis_vector_1d(unsigned int coordinate) -> Vector1D"""
11531 return _IMP_kernel.get_basis_vector_1d(coordinate)
11533 def get_basis_vector_2d(coordinate):
11534 r"""get_basis_vector_2d(unsigned int coordinate) -> Vector2D"""
11535 return _IMP_kernel.get_basis_vector_2d(coordinate)
11537 def get_basis_vector_3d(coordinate):
11538 r"""get_basis_vector_3d(unsigned int coordinate) -> Vector3D"""
11539 return _IMP_kernel.get_basis_vector_3d(coordinate)
11541 def get_basis_vector_4d(coordinate):
11542 r"""get_basis_vector_4d(unsigned int coordinate) -> Vector4D"""
11543 return _IMP_kernel.get_basis_vector_4d(coordinate)
11545 def get_basis_vector_5d(coordinate):
11546 r"""get_basis_vector_5d(unsigned int coordinate) -> Vector5D"""
11547 return _IMP_kernel.get_basis_vector_5d(coordinate)
11549 def get_basis_vector_6d(coordinate):
11550 r"""get_basis_vector_6d(unsigned int coordinate) -> Vector6D"""
11551 return _IMP_kernel.get_basis_vector_6d(coordinate)
11553 def get_zero_vector_1d():
11554 r"""get_zero_vector_1d() -> Vector1D"""
11555 return _IMP_kernel.get_zero_vector_1d()
11557 def get_zero_vector_2d():
11558 r"""get_zero_vector_2d() -> Vector2D"""
11559 return _IMP_kernel.get_zero_vector_2d()
11561 def get_zero_vector_3d():
11562 r"""get_zero_vector_3d() -> Vector3D"""
11563 return _IMP_kernel.get_zero_vector_3d()
11565 def get_zero_vector_4d():
11566 r"""get_zero_vector_4d() -> Vector4D"""
11567 return _IMP_kernel.get_zero_vector_4d()
11569 def get_zero_vector_5d():
11570 r"""get_zero_vector_5d() -> Vector5D"""
11571 return _IMP_kernel.get_zero_vector_5d()
11573 def get_zero_vector_6d():
11574 r"""get_zero_vector_6d() -> Vector6D"""
11575 return _IMP_kernel.get_zero_vector_6d()
11577 def get_ones_vector_1d(v=1):
11578 r"""get_ones_vector_1d(double v=1) -> Vector1D"""
11579 return _IMP_kernel.get_ones_vector_1d(v)
11581 def get_ones_vector_2d(v=1):
11582 r"""get_ones_vector_2d(double v=1) -> Vector2D"""
11583 return _IMP_kernel.get_ones_vector_2d(v)
11585 def get_ones_vector_3d(v=1):
11586 r"""get_ones_vector_3d(double v=1) -> Vector3D"""
11587 return _IMP_kernel.get_ones_vector_3d(v)
11589 def get_ones_vector_4d(v=1):
11590 r"""get_ones_vector_4d(double v=1) -> Vector4D"""
11591 return _IMP_kernel.get_ones_vector_4d(v)
11593 def get_ones_vector_5d(v=1):
11594 r"""get_ones_vector_5d(double v=1) -> Vector5D"""
11595 return _IMP_kernel.get_ones_vector_5d(v)
11597 def get_ones_vector_6d(v=1):
11598 r"""get_ones_vector_6d(double v=1) -> Vector6D"""
11599 return _IMP_kernel.get_ones_vector_6d(v)
11601 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
11603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11604 __repr__ = _swig_repr
11606 def __init__(self, *args):
11608 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
11609 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
11611 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
11613 def do_add_score_and_derivatives(self, sa, ss):
11614 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
11615 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
11617 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
11618 r"""do_add_score_and_derivatives_moved(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
11619 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
11621 def do_get_inputs(self):
11622 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
11623 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
11625 def get_restraints(self):
11626 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
11627 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
11629 def set_restraints(self, s):
11630 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
11631 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
11633 def get_number_of_restraints(self):
11634 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
11635 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
11637 def clear_restraints(self):
11638 r"""clear_restraints(_RestraintsScoringFunction self)"""
11639 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
11641 def get_restraint(self, i):
11642 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
11643 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
11645 def erase_restraint(self, i):
11646 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
11647 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
11650 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
11651 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
11654 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
11655 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
11657 def _python_index_restraint(self, r, start, stop):
11658 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
11659 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
11662 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
11663 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
11664 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
11668 return _object_cast_to__RestraintsScoringFunction(o)
11671 def __get_restraints(self):
11672 return _list_util.VarList(
11673 getdimfunc=self.get_number_of_restraints,
11674 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
11675 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
11676 clearfunc=self.clear_restraints,
11677 indexfunc=self._python_index_restraint)
11679 def __set_restraints(self, obj):
11680 _list_util.set_varlist(self.restraints, obj)
11682 def __del_restraints(self):
11683 _list_util.del_varlist(self.restraints)
11685 restraints = property(__get_restraints, __set_restraints,
11686 __del_restraints, doc=
"List of Restraints")
11689 def _get_jax(self):
11690 import IMP._jax_util
11691 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
11692 funcs = [j.score_func
for j
in jis]
11693 keys = frozenset(x
for j
in jis
for x
in j._keys)
11695 return sum(f(jm)
for f
in funcs)
11696 return IMP._jax_util.JAXRestraintInfo(
11697 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
11701 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
11703 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
11705 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11707 def __init__(self, *args):
11709 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
11710 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
11712 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
11714 def set(self, p, key, value):
11715 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
11716 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
11719 r"""reset(ScopedSetFloatAttribute self)"""
11720 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
11721 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
11723 def show(self, *args):
11724 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
11725 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
11728 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
11729 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
11731 def __repr__(self):
11732 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
11733 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
11736 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
11738 def _get_module_data_path(module, file_name):
11739 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
11740 return _IMP_kernel._get_module_data_path(module, file_name)
11742 def _get_module_example_path(module, file_name):
11743 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
11744 return _IMP_kernel._get_module_example_path(module, file_name)
11753 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
11754 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
11755 pathcomps = os.environ[
'PATH'].split(
";")
11757 if d
not in pathcomps:
11758 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
11766 """Allow command line tools to easily implement multiple commands.
11767 Typically, an IMP command line tool will use an instance of this class
11768 to provide a consistent interface to multiple distinct commands
11769 from a single binary, rather than providing a potentially large
11770 number of binaries. This is similar to the way a number of common
11771 command line tools outside of IMP function (e.g. Git provides a single
11772 `git` tool which implements multiple commands - `git add`, `git commit`,
11773 `git push` and so on).
11775 Each command is implemented with a Python module of the same name
11776 that can be imported from the module (for example, if `module_name`
11777 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
11778 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
11779 Each such module should have a docstring and a `%main()` method
11780 that takes no arguments (the module should also call its `%main()` method
11781 if it is run directly, i.e. with something like
11782 `if __name__=="__main__": %main()`). The encompassing module
11783 (`IMP.foo` in the example) should define `_all_commands` as a Python
11784 list of all valid commands.
11786 See the `multifit` and `cnmultifit` command line tools for example
11792 @param short_help A few words that describe the command line tool.
11793 @param long_help Longer text, used in the `help` command.
11794 @param module_name Name of the module (e.g. `IMP.foo`) that
11795 implements the commands.
11797 self.short_help = short_help
11798 self.long_help = long_help
11799 self.module_name = module_name
11800 self._all_commands = self.import_module()._all_commands
11801 self._progname = os.path.basename(sys.argv[0])
11804 """Call this method to act upon the user-provided command line"""
11805 if len(sys.argv) <= 1:
11806 print(self.short_help +
" Use '%s help' for help." % self._progname)
11808 command = sys.argv[1]
11809 if command
in (
'help',
'--help',
'-h'):
11810 if len(sys.argv) == 3:
11811 self.show_command_help(sys.argv[2])
11814 elif command ==
'--version':
11815 self.show_version()
11816 elif command
in self._all_commands:
11817 self.do_command(command)
11819 self.unknown_command(command)
11821 def import_module(self, mod=None):
11822 modname = self.module_name
11823 if mod
is not None:
11824 modname +=
"." + mod
11825 return __import__(modname, {}, {}, [
''])
11827 def unknown_command(self, command):
11828 print(
"Unknown command: '%s'" % command)
11829 print(
"Use '%s help' for help." % self._progname)
11832 def _get_version(self):
11835 def show_version(self):
11836 print(self._progname +
' ' + self._get_version())
11838 def show_help(self):
11839 ver = self._get_version()
11840 print(
"%s, version %s." % (self._progname, ver))
11841 print(self.long_help +
"""
11843 This program is part of IMP, the Integrative Modeling Platform,
11845 For additional information about IMP, see <https://integrativemodeling.org>.
11847 Usage: %s <command> [options] [args]
11850 commands = self._all_commands[:] + [
'help']
11852 cmdlen = max([len(c)
for c
in commands])
11855 doc =
'Get help on using %s.' % self._progname
11857 doc = self.import_module(c).__doc__
or "<no help>"
11858 c +=
' ' * (cmdlen - len(c))
11859 print(
' ' + c +
' ' + doc)
11861 Use "%s help <command>" for detailed help on any command
11862 or "%s --version" to see the version number.""" % (self._progname,
11865 def do_command(self, command):
11866 mod = self.import_module(command)
11867 sys.argv[0] = self._progname +
' ' + command
11871 def show_command_help(self, command):
11872 if command ==
'help':
11874 elif command
in self._all_commands
or command ==
'help':
11875 mod = self.import_module(command)
11876 sys.argv = [self._progname +
' ' + command,
'--help']
11879 self.unknown_command(command)
11886 g = networkx.DiGraph()
11887 if len(ig.get_vertices()) == 0:
11896 return self.p.get_name()
11898 def __call__(self, name):
11899 return self.p.__call__(name)
11901 for vi
in ig.get_vertices():
11902 n = ig.get_vertex_name(vi)
11903 g.add_node(NodeWrapper(n))
11904 for vi
in ig.get_vertices():
11905 n = ig.get_vertex_name(vi)
11906 for ni
in ig.get_out_neighbors(vi):
11907 nn = ig.get_vertex_name(ni)
11908 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
11915 n0 = name.get_name()
11918 n1 = str(n0).replace(
'"',
'')
11919 n2 = n1.replace(
"\n",
'')
11922 from altgraph
import Graph, Dot
11923 graph = Graph.Graph()
11924 for i, v
in enumerate(g.get_vertices()):
11926 for i, v
in enumerate(g.get_vertices()):
11927 for n
in g.get_out_neighbors(v):
11928 graph.add_edge(v, n)
11929 dot = Dot.Dot(graph)
11930 for i, v
in enumerate(g.get_vertices()):
11931 dot.node_style(i, label=clean(g.get_vertex_name(v)))
11939 st = g.get_graphviz_string()
11940 with open(tfn,
"w")
as fh:
11943 print(
"running dot")
11944 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
11948 sys.stderr.write(
"The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.\n")
11951 if platform.system() ==
"Darwin":
11954 cmd = [
"gv",
"acroread",
"xpdf"]
11957 print(
"launching viewer " + c)
11959 subprocess.check_call([c, tfon])
11965 print(
"Could not display file. It is saved at " + tfon)
11975 """Mark a Python module as deprecated.
11976 @note The `module` argument would normally be `__name__`.
11977 @see [deprecation support](@ref deprecation)."""
11979 "Module %s is deprecated. %s\n" % (module, help_message))
11982 """Python decorator to mark a class as deprecated.
11983 @see [deprecation support](@ref deprecation)."""
11985 orig_init = obj.__init__
11988 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
11989 def __init__(obj, *args, **keys):
11991 % (type(obj), help_message))
11992 orig_init(obj, *args, **keys)
11993 obj.__init__ = __init__
11998 """Python decorator to mark a method as deprecated.
11999 @see [deprecation support](@ref deprecation)."""
12000 def out_wrapper(obj):
12001 @functools.wraps(obj)
12002 def wrapper(cls, *args, **keys):
12004 % (obj.__name__, type(cls), help_message))
12005 return obj(cls, *args, **keys)
12010 """Python decorator to mark a function as deprecated.
12011 @see [deprecation support](@ref deprecation)."""
12012 def out_wrapper(obj):
12013 @functools.wraps(obj)
12014 def wrapper(*args, **keys):
12016 % (obj.__name__, help_message))
12017 return obj(*args, **keys)
12021 @contextlib.contextmanager
12023 """Context manager to temporarily allow (or disallow) deprecated code.
12024 @see [deprecation support](@ref deprecation)."""
12031 def _get_all_flags(ntokens):
12032 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
12033 return _IMP_kernel._get_all_flags(ntokens)
12035 def _print_internal_help(out, description):
12036 r"""_print_internal_help(_ostream out, std::string description)"""
12037 return _IMP_kernel._print_internal_help(out, description)
12043 class _PassThroughAction(argparse.Action):
12044 """Pass an argument through to the IMP Boost parser"""
12045 def __call__(self, parser, namespace, values, option_string=None):
12046 parser._boost_command_line.append(option_string)
12048 parser._boost_command_line.append(values)
12051 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
12052 parser._handle_boost()
12056 """IMP-specific subclass of argparse.ArgumentParser.
12057 This adds options common to all IMP applications
12058 (see IMP::setup_from_argv()).
12061 def __init__(self, *args, **kwargs):
12063 kwargs[
'add_help'] =
False
12064 super().__init__(*args, **kwargs)
12065 for ntoken
in (0, 1):
12066 flags = _get_all_flags(ntoken)
12068 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
12069 self.add_argument(*arg, help=argparse.SUPPRESS,
12070 nargs=
None if ntoken
else 0,
12071 action=_PassThroughAction,
12072 default=argparse.SUPPRESS)
12075 """Parse the command line and return optional and positional arguments.
12076 This functions in the same way as the method in the base class
12077 argparse.ArgumentParser, except that it also processes optional
12078 arguments common to all IMP applications (these are not returned
12079 in `args`, but can be obtained in the usual way, e.g. by calling
12080 IMP::get_string_flag()).
12083 self._boost_command_line = [sys.argv[0]]
12085 if len(self._boost_command_line) > 1:
12086 self._handle_boost()
12089 def _get_description(self):
12090 return self.format_help() +
"\nOptions common to all IMP applications:"
12092 def print_help(self, file=None):
12093 _print_internal_help(file
if file
else sys.stdout,
12094 self._get_description())
12096 def _handle_boost(self):
12098 self._get_description(),
12101 class RandomNumberGenerator(object):
12102 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
12104 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12105 __repr__ = _swig_repr
12108 r"""seed(RandomNumberGenerator self, int x)"""
12109 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
12111 def __call__(self):
12112 r"""__call__(RandomNumberGenerator self) -> int"""
12113 return _IMP_kernel.RandomNumberGenerator___call__(self)
12115 def __init__(self):
12116 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
12117 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
12118 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
12121 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
12125 get_random_float_uniform() -> float
12126 get_random_float_uniform(float min, float max) -> float
12128 return _IMP_kernel.get_random_float_uniform(*args)
12132 get_random_double_uniform() -> double
12133 get_random_double_uniform(double min, double max) -> double
12135 return _IMP_kernel.get_random_double_uniform(*args)
12137 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
12138 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
12139 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
12141 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
12142 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
12143 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
12145 def get_random_floats_uniform(n):
12146 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
12147 return _IMP_kernel.get_random_floats_uniform(n)
12149 def get_random_doubles_uniform(n):
12150 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
12151 return _IMP_kernel.get_random_doubles_uniform(n)
12154 r"""get_random_seed() -> boost::uint64_t"""
12155 return _IMP_kernel.get_random_seed()
12157 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
12158 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12159 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
12161 def _get_floats_numpy(m, k, m_pyobj, read_only):
12162 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12163 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
12165 def _get_ints_numpy(m, k, m_pyobj, read_only):
12166 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12167 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
12169 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
12170 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12171 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
12173 def _get_vector3dderiv_numpy(m, k, m_pyobj, read_only):
12174 r"""_get_vector3dderiv_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12175 return _IMP_kernel._get_vector3dderiv_numpy(m, k, m_pyobj, read_only)
12177 def _get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12178 r"""_get_vector3dderiv_derivatives_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12179 return _IMP_kernel._get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12181 def _get_vector4ds_numpy(m, k, m_pyobj, read_only):
12182 r"""_get_vector4ds_numpy(Model m, Vector4DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12183 return _IMP_kernel._get_vector4ds_numpy(m, k, m_pyobj, read_only)
12185 def _get_vector4dderiv_numpy(m, k, m_pyobj, read_only):
12186 r"""_get_vector4dderiv_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12187 return _IMP_kernel._get_vector4dderiv_numpy(m, k, m_pyobj, read_only)
12189 def _get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12190 r"""_get_vector4dderiv_derivatives_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12191 return _IMP_kernel._get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12193 def _get_spheres_numpy(m, m_pyobj, read_only):
12194 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12195 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
12197 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
12198 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12199 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
12201 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
12202 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12203 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
12205 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
12206 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12207 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
12211 ParticleIndex = numpy.intc
12212 except ImportError:
12217 """Warning for incomplete JAX support or different behavior of JAX code"""
12221 def get_module_name():
12222 r"""get_module_name() -> std::string const"""
12223 return _IMP_kernel.get_module_name()
12226 r"""get_module_version() -> std::string const"""
12227 return _IMP_kernel.get_module_version()
12230 r"""get_example_path(std::string fname) -> std::string"""
12231 return _IMP_kernel.get_example_path(fname)
12234 r"""get_data_path(std::string fname) -> std::string"""
12235 return _IMP_kernel.get_data_path(fname)
12237 from .
import _version_check
12242 random_number_generator = cvar.random_number_generator
Particle * get_particle(ParticleIndex p) const
Get the particle from an index.
A base class for modifiers of ParticlesTemp.
A class to store a configuration of a model.
def get_ints_numpy
Get the model's attribute array for IntKey k as a NumPy array.
VectorD< D > get_basis_vector_kd(int Di, unsigned int coordinate)
Return the basis vector for the given coordinate.
Abstract class for scoring object(s) of type ParticleIndexPair.
A shared container for Pairs.
void add_int_flag(std::string name, size_t default_value, std::string description)
Allow command line tools to easily implement multiple commands.
CheckLevel get_check_level()
Get the current audit mode.
VectorD< D > get_ones_vector_kd(unsigned int Di, double v=1)
Return a vector of ones (or another constant)
Key< 11 > TriggerKey
The type used to identify changed model properties.
Abstract predicate function.
Key< 0 > FloatKey
The type used to identify float attributes in the Particles.
def allow_deprecated
Context manager to temporarily allow (or disallow) deprecated code.
std::string get_unique_name(std::string templ)
Return a unique name produced from the string.
DependencyGraph get_dependency_graph(Model *m)
def get_floats_numpy
Get the model's attribute array for FloatKey k as a NumPy array.
Objects get_live_objects()
Return pointers to all live objects.
def get_derived_object
Return this object cast to the most derived subclass.
Vector< char > write_particles_to_buffer(const ParticlesTemp &particles, const FloatKeys &keys)
return a binary buffer with the data
Key< 13 > SparseIntKey
The type used to identify sparse int attributes in the Particles.
def main
Call this method to act upon the user-provided command line.
Key< 15 > SparseParticleIndexKey
The type used to identify sparse particle attributes in the Particles.
Vector3D get_orthogonal_vector(const Vector3D &v)
Return a vector that is perpendicular to the given vector.
boost::graph DependencyGraph
Directed graph on the interactions between the various objects in the model.
ContainersTemp get_input_containers(const ModelObjectsTemp &mos)
Return all the input particles for a given ModelObject.
def deprecated_module
Mark a Python module as deprecated.
Key< 16 > Vector3DKey
The type used to identify 3D vector attributes in the Particles.
Vector< VectorD< D > > get_vertices(const BoundingBoxD< D > &bb)
Return a list of the 2^D bounding points for the bounding box.
Array< 4, WeakPointer< Particle >, Particle * > ParticleQuad
bool get_bool_flag(std::string name)
VectorD< D > get_zero_vector_kd(int Di)
Return a dynamically sized vector of zeros.
void handle_use_deprecated(std::string message)
Break in this method in gdb to find deprecated uses at runtime.
void set_progress_display(std::string description, unsigned int steps)
Set up the progress bar with the passed description.
def deprecated_function
Python decorator to mark a function as deprecated.
virtual ::IMP::VersionInfo get_version_info() const override
Get information about the module and version of the object.
void remove_attribute(TypeKey attribute_key, ParticleIndex particle)
remove particle attribute with the specified key
Index< ParticleIndexTag > ParticleIndex
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
Key< 19 > Vector4DDerivKey
The type used to identify 4D vector attributes&derivatives in the Particles.
Key< 6 > ParticleIndexesKey
The type used to identify a particle attribute in the Particles.
Array< 3, WeakPointer< Particle >, Particle * > ParticleTriplet
ContainersTemp get_output_containers(const ModelObjectsTemp &mos)
Return all the output particles for a given ModelObject.
Base class for all samplers.
void add_particle(RMF::FileHandle fh, Particle *hs)
virtual void clear_caches()
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
void add_string_flag(std::string name, std::string default_value, std::string description)
LogLevel get_log_level()
Get the currently active global log level.
def get_sphere_derivatives_numpy
Get the model's XYZR attribute derivatives arrays as NumPy arrays.
void set_deprecation_warnings(bool tf)
Toggle printing of warnings on using deprecated classes.
Vector3D get_centroid(const Vector3Ds &ps)
Return the centroid of a set of vectors.
def get_numpy
Get the model's attribute array for any type of Key k as a NumPy array.
TextOutput create_temporary_file(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file. The path can be extracted from the TextOutput.
ParticlesTemp get_output_particles(const ModelObjectsTemp &mos)
Return all the output particles for a given ModelObject.
ScoringFunction * create_scoring_function(RestraintType *rs, double weight=1.0, double max=NO_MAX, std::string name=std::string())
Create a ScoringFunction on a single restraint.
A base class for modifiers of ParticlePairsTemp.
void write_help(std::ostream &out=std::cerr)
Key< 2 > StringKey
The type used to identify string attributes in the Particles.
size_t get_int_flag(std::string name)
Key< 10 > FloatsKey
The type used to identify float vector attributes in the Particles.
void add_restraint(RMF::FileHandle fh, Restraint *hs)
Key< 17 > Vector3DDerivKey
The type used to identify 3D vector attributes&derivatives in the Particles.
Abstract class for scoring object(s) of type ParticleIndexQuad.
Base class for objects in a Model that depend on other objects.
boost::uint64_t get_random_seed()
Return the initial random seed.
Abstract predicate function.
Key< 3 > ParticleIndexKey
The type used to identify a particle attribute in the Particles.
Strings get_live_object_names()
Return the names of all live objects.
void add_to_progress_display(unsigned int step=1)
Set the current progress.
void add_attribute(TypeKey attribute_key, ParticleIndex particle, Type value)
add particle attribute with the specified key and initial value
void add_float_flag(std::string name, double default_value, std::string description)
virtual void do_destroy()
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Common base class for heavy weight IMP objects.
ParticleIndexes get_particle_indexes(ParticlesTemp const &particles)
def deprecated_method
Python decorator to mark a method as deprecated.
Abstract class for scoring object(s) of type ParticleIndex.
Base class for all optimizers.
void reset_log_timer()
Reset the log timer.
void add_restraints(RMF::FileHandle fh, const Restraints &hs)
void add_to_log(LogLevel level, std::string to_write)
Write a string to the log, for Python.
def parse_args
Parse the command line and return optional and positional arguments.
def get_internal_coordinates_numpy
Get the model's internal coordinate array as a NumPy array.
double get_distance(const VectorD< D > &v1, const VectorD< D > &v2)
Compute the distance between two vectors.
void set_is_optimized(TypeKey attribute_key, ParticleIndex particle, bool true_or_false)
Key< 1 > IntKey
The type used to identify int attributes in the Particles.
Restraints create_decomposition(const RestraintsTemp &rs)
Return the decomposition of a list of restraints.
std::string get_relative_path(std::string base, std::string relative)
Return a path to a file relative to another file.
A class to store a set of configurations of a model.
A shared container for Quads.
def get_internal_coordinate_derivatives_numpy
Get the model's internal coordinate derivative array as a NumPy array.
A shared container for Singletons.
void set_deprecation_exceptions(bool tf)
Toggle whether an exception is thrown when a deprecated method is used.
def get_spheres_numpy
Get the model's XYZR attribute arrays as NumPy arrays.
Key< 4 > ObjectKey
The type used to identify an Object attribute.
Interface to specialized Particle types (e.g. atoms)
IMP-specific subclass of argparse.ArgumentParser.
def get_derivatives_numpy
Get the model's attribute derivatives array for key k as a NumPy array.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
std::string get_absolute_path(std::string file)
Convert a possibly relative path to an absolute path.
std::string get_executable_name()
Return the name of the current executable.
void set_log_level(LogLevel l)
Set the current global log level.
unsigned int get_number_of_threads()
float get_random_float_uniform()
Return a uniformly distributed float number in range [0..1)
def deprecated_object
Python decorator to mark a class as deprecated.
ParticlesTemp get_input_particles(const ModelObjectsTemp &mos)
Return all the input particles for a given ModelObject.
Base class for optimizers that act on individual attributes.
void set_show_leaked_objects(bool tf)
Set whether to complain about objects not being properly cleaned up.
Abstract predicate function.
bool get_deprecation_exceptions()
Get whether an exception is thrown when a deprecated method is used.
Represents a scoring function on the model.
void set_log_timer(bool tb)
Set whether log messages are tagged with the current log time.
void show_restraint_hierarchy(ScoringFunctionAdaptor rs, std::ostream &out=std::cout)
Print the hierarchy of restraints.
DependencyGraph get_pruned_dependency_graph(Model *m)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Warning for incomplete JAX support or different behavior of JAX code.
Object(std::string name)
Construct an object with the given name.
Array< 2, WeakPointer< Particle >, Particle * > ParticlePair
Key< 5 > IntsKey
The type used to identify int attributes in the Particles.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
Restraints create_restraints(RMF::FileConstHandle fh, Model *m)
Shared optimizer state that is invoked upon commitment of new coordinates.
Abstract predicate function.
Abstract class to implement hierarchical methods.
A base class for modifiers of ParticleTripletsTemp.
std::string show_graphviz(Graph g)
void set_check_level(CheckLevel l)
std::string get_string_flag(std::string name)
networkx::DiGraph get_networkx_graph(Graph g)
Key< 18 > Vector4DKey
The type used to identify 4D vector attributes in the Particles.
double get_random_double_uniform()
Return a uniformly distributed double number in range [0..1)
Key< 8 > ModelKey
The type used to identify data stored directly in the model.
A base class for modifiers of ParticleQuadsTemp.
Key< 14 > SparseFloatKey
The type used to identify sparse float attributes in the Particles.
A shared container for Triplets.
def get_vector3ds_numpy
Get the model's attribute array for Vector3DKey k as a NumPy array.
Vector3D get_vector_product(const Vector3D &p1, const Vector3D &p2)
Return the vector product (cross product) of two vectors.
Abstract class for scoring object(s) of type ParticleIndexTriplet.
void show_altgraph(Graph g)
void update()
Sometimes it is useful to be able to make sure the model is up to date.
void setup_from_argv(int argc, char **argv, std::string description)
Parse the command line flags and return the positional arguments.
void add_bool_flag(std::string name, std::string description)
ParticleIndexes get_indexes(const ParticlesTemp &ps)
Get the indexes from a list of particles.
Abstract class for containers of particles.
void read_particles_from_buffer(const Vector< char > &buffer, const ParticlesTemp &particles, const FloatKeys &keys)
load found attributes into the particles
Abstract single variable functor class for score functions.
void set_number_of_threads(unsigned int n)
double get_float_flag(std::string name)
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
ScoreStatesTemp get_update_order(ScoreStatesTemp input)
std::string get_module_version()
Return the version of this module, as a string.
std::string create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file.
A restraint is a term in an IMP ScoringFunction.
Key< 12 > SparseStringKey
The type used to identify sparse string attributes in the Particles.
std::string get_copyright()
Get the IMP copyright notice.