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)
4582 class DerivativeAccumulator(object):
4583 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
4585 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4586 __repr__ = _swig_repr
4588 def __init__(self, *args):
4590 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
4591 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
4592 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
4594 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
4596 def __call__(self, value):
4597 r"""__call__(DerivativeAccumulator self, double const value) -> double"""
4598 return _IMP_kernel.DerivativeAccumulator___call__(self, value)
4600 def get_weight(self):
4601 r"""get_weight(DerivativeAccumulator self) -> double"""
4602 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
4604 def show(self, *args):
4605 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
4606 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
4607 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
4610 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
4611 class EvaluationState(object):
4612 r"""Proxy of C++ IMP::EvaluationState class."""
4614 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4615 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
4616 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
4618 def __init__(self, *args):
4620 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
4621 __init__(EvaluationState self) -> EvaluationState
4623 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
4625 def show(self, *args):
4626 r"""show(EvaluationState self, _ostream out=std::cout)"""
4627 return _IMP_kernel.EvaluationState_show(self, *args)
4630 r"""__str__(EvaluationState self) -> std::string"""
4631 return _IMP_kernel.EvaluationState___str__(self)
4634 r"""__repr__(EvaluationState self) -> std::string"""
4635 return _IMP_kernel.EvaluationState___repr__(self)
4636 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
4639 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
4640 class ScoreAccumulator(_Value):
4641 r"""Proxy of C++ IMP::ScoreAccumulator class."""
4643 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4645 def __init__(self, *args):
4647 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
4648 __init__(ScoreAccumulator self) -> ScoreAccumulator
4649 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
4650 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
4652 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
4654 def add_score(self, score):
4655 r"""add_score(ScoreAccumulator self, double score)"""
4656 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
4658 def get_abort_evaluation(self):
4659 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
4660 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
4662 def get_is_evaluate_if_below(self):
4663 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
4664 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
4666 def get_is_evaluate_if_good(self):
4667 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
4668 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
4670 def get_maximum(self):
4671 r"""get_maximum(ScoreAccumulator self) -> double"""
4672 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
4674 def get_derivative_accumulator(self):
4675 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
4676 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
4678 def show(self, *args):
4679 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
4680 return _IMP_kernel.ScoreAccumulator_show(self, *args)
4683 r"""__str__(ScoreAccumulator self) -> std::string"""
4684 return _IMP_kernel.ScoreAccumulator___str__(self)
4687 r"""__repr__(ScoreAccumulator self) -> std::string"""
4688 return _IMP_kernel.ScoreAccumulator___repr__(self)
4689 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
4692 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
4693 class ScoreState(ModelObject):
4694 r"""Proxy of C++ IMP::ScoreState class."""
4696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4698 def set_can_skip(self, can_skip):
4699 r"""set_can_skip(ScoreState self, bool can_skip)"""
4700 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
4702 def __init__(self, *args):
4704 __init__(ScoreState self, Model m, std::string name) -> ScoreState
4705 __init__(ScoreState self) -> ScoreState
4707 if self.__class__ == ScoreState:
4711 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
4713 if self.__class__ != ScoreState:
4714 _director_objects.register(self)
4719 def before_evaluate(self):
4720 r"""before_evaluate(ScoreState self)"""
4721 return _IMP_kernel.ScoreState_before_evaluate(self)
4723 def after_evaluate(self, accpt):
4724 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4725 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
4727 def get_can_skip(self):
4728 r"""get_can_skip(ScoreState self) -> bool"""
4729 return _IMP_kernel.ScoreState_get_can_skip(self)
4731 def get_has_update_order(self):
4732 r"""get_has_update_order(ScoreState self) -> bool"""
4733 return _IMP_kernel.ScoreState_get_has_update_order(self)
4736 r"""get_update_order(ScoreState self) -> unsigned int"""
4737 return _IMP_kernel.ScoreState_get_update_order(self)
4739 def handle_set_has_required_score_states(self, tf):
4740 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
4741 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
4743 def do_before_evaluate(self):
4744 r"""do_before_evaluate(ScoreState self)"""
4745 return _IMP_kernel.ScoreState_do_before_evaluate(self)
4747 def do_after_evaluate(self, accpt):
4748 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4749 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
4750 __swig_destroy__ = _IMP_kernel.delete_ScoreState
4753 r"""__str__(ScoreState self) -> std::string"""
4754 return _IMP_kernel.ScoreState___str__(self)
4757 r"""__repr__(ScoreState self) -> std::string"""
4758 return _IMP_kernel.ScoreState___repr__(self)
4762 return _object_cast_to_ScoreState(o)
4765 def do_show(self, out):
4770 return _object_cast_to_ScoreState(o)
4773 def _wrap_jax(self, apply_func, keys=None):
4774 """Create the return value for _get_jax.
4775 Use this method in _get_jax() to wrap the JAX apply function
4776 with other model- and ScoreState-specific information.
4778 @param apply_func A function implemented using JAX that takes
4779 a single argument (the current JAX Model) and returns
4780 a new JAX Model with the ScoreState's transformation
4782 @param keys If given, a set of IMP::Key objects describing Model
4783 attributes (other than xyz and radius) that the ScoreState
4786 from IMP._jax_util
import JAXScoreStateInfo
4787 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
4791 """Return a JAX implementation of this ScoreState.
4792 Implement this method in a ScoreState subclass to provide
4793 an equivalent function using [JAX](https://docs.jax.dev/)
4794 that modifies the JAX Model. See also _wrap_jax.
4796 raise NotImplementedError(
4797 f
"No JAX implementation for {self} ({type(self)})")
4799 def __disown__(self):
4801 _IMP_kernel.disown_ScoreState(self)
4802 return weakref.proxy(self)
4805 r"""do_destroy(ScoreState self)"""
4806 return _IMP_kernel.ScoreState_do_destroy(self)
4808 def do_get_inputs(self):
4809 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4810 return _IMP_kernel.ScoreState_do_get_inputs(self)
4812 def do_get_outputs(self):
4813 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4814 return _IMP_kernel.ScoreState_do_get_outputs(self)
4816 def do_get_interactions(self):
4817 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
4818 return _IMP_kernel.ScoreState_do_get_interactions(self)
4821 _IMP_kernel.ScoreState_swigregister(ScoreState)
4824 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
4825 return _IMP_kernel.get_update_order(input)
4826 class Constraint(ScoreState):
4827 r"""Proxy of C++ IMP::Constraint class."""
4829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4831 def __init__(self, *args):
4833 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
4834 __init__(Constraint self) -> Constraint
4836 if self.__class__ == Constraint:
4840 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
4842 if self.__class__ != Constraint:
4843 _director_objects.register(self)
4848 def do_update_attributes(self):
4849 r"""do_update_attributes(Constraint self)"""
4850 return _IMP_kernel.Constraint_do_update_attributes(self)
4852 def do_update_derivatives(self, da):
4853 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4854 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4856 def do_before_evaluate(self):
4857 r"""do_before_evaluate(Constraint self)"""
4858 return _IMP_kernel.Constraint_do_before_evaluate(self)
4860 def do_after_evaluate(self, da):
4861 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4862 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4863 __swig_destroy__ = _IMP_kernel.delete_Constraint
4866 r"""__str__(Constraint self) -> std::string"""
4867 return _IMP_kernel.Constraint___str__(self)
4870 r"""__repr__(Constraint self) -> std::string"""
4871 return _IMP_kernel.Constraint___repr__(self)
4875 return _object_cast_to_Constraint(o)
4878 def do_show(self, out):
4883 return _object_cast_to_Constraint(o)
4885 def __disown__(self):
4887 _IMP_kernel.disown_Constraint(self)
4888 return weakref.proxy(self)
4891 r"""do_destroy(Constraint self)"""
4892 return _IMP_kernel.Constraint_do_destroy(self)
4894 def do_get_inputs(self):
4895 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4896 return _IMP_kernel.Constraint_do_get_inputs(self)
4898 def do_get_outputs(self):
4899 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4900 return _IMP_kernel.Constraint_do_get_outputs(self)
4902 def do_get_interactions(self):
4903 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4904 return _IMP_kernel.Constraint_do_get_interactions(self)
4907 _IMP_kernel.Constraint_swigregister(Constraint)
4908 class Container(ModelObject):
4909 r"""Proxy of C++ IMP::Container class."""
4911 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4913 def __init__(self, *args):
4915 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4916 __init__(Container self) -> Container
4918 if self.__class__ == Container:
4922 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4924 if self.__class__ != Container:
4925 _director_objects.register(self)
4930 def do_get_contents_hash(self):
4931 r"""do_get_contents_hash(Container self) -> std::size_t"""
4932 return _IMP_kernel.Container_do_get_contents_hash(self)
4934 def get_all_possible_indexes(self):
4935 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
4936 return _IMP_kernel.Container_get_all_possible_indexes(self)
4938 def get_contents_hash(self):
4939 r"""get_contents_hash(Container self) -> std::size_t"""
4940 return _IMP_kernel.Container_get_contents_hash(self)
4942 def do_get_outputs(self):
4943 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
4944 return _IMP_kernel.Container_do_get_outputs(self)
4946 def get_is_decomposable(self):
4947 r"""get_is_decomposable(Container self) -> bool"""
4948 return _IMP_kernel.Container_get_is_decomposable(self)
4950 def validate_readable(self):
4951 r"""validate_readable(Container self)"""
4952 return _IMP_kernel.Container_validate_readable(self)
4954 def validate_writable(self):
4955 r"""validate_writable(Container self)"""
4956 return _IMP_kernel.Container_validate_writable(self)
4958 def set_is_readable(self, tf):
4959 r"""set_is_readable(Container self, bool tf)"""
4960 return _IMP_kernel.Container_set_is_readable(self, tf)
4962 def set_is_writable(self, tf):
4963 r"""set_is_writable(Container self, bool tf)"""
4964 return _IMP_kernel.Container_set_is_writable(self, tf)
4965 __swig_destroy__ = _IMP_kernel.delete_Container
4968 r"""__str__(Container self) -> std::string"""
4969 return _IMP_kernel.Container___str__(self)
4972 r"""__repr__(Container self) -> std::string"""
4973 return _IMP_kernel.Container___repr__(self)
4977 return _object_cast_to_Container(o)
4980 def do_show(self, out):
4985 return _object_cast_to_Container(o)
4987 def __disown__(self):
4989 _IMP_kernel.disown_Container(self)
4990 return weakref.proxy(self)
4993 r"""do_destroy(Container self)"""
4994 return _IMP_kernel.Container_do_destroy(self)
4996 def handle_set_has_required_score_states(self, arg0):
4997 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
4998 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
5000 def do_get_inputs(self):
5001 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
5002 return _IMP_kernel.Container_do_get_inputs(self)
5004 def do_get_interactions(self):
5005 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
5006 return _IMP_kernel.Container_do_get_interactions(self)
5009 _IMP_kernel.Container_swigregister(Container)
5012 _plural_types.append(
"Vector1Ds")
5013 _value_types.append(
"Vector1D")
5017 _plural_types.append(
"Vector2Ds")
5018 _value_types.append(
"Vector2D")
5022 _plural_types.append(
"Vector3Ds")
5023 _value_types.append(
"Vector3D")
5027 _plural_types.append(
"Vector4Ds")
5028 _value_types.append(
"Vector4D")
5032 _plural_types.append(
"Vector5Ds")
5033 _value_types.append(
"Vector5D")
5037 _plural_types.append(
"Vector6Ds")
5038 _value_types.append(
"Vector6D")
5042 _plural_types.append(
"Vector1Ds")
5043 _value_types.append(
"VectorD<1>")
5047 _plural_types.append(
"Vector2Ds")
5048 _value_types.append(
"VectorD<2>")
5052 _plural_types.append(
"Vector3Ds")
5053 _value_types.append(
"VectorD<3>")
5057 _plural_types.append(
"Vector4Ds")
5058 _value_types.append(
"VectorD<4>")
5062 _plural_types.append(
"Vector5Ds")
5063 _value_types.append(
"VectorD<5>")
5067 _plural_types.append(
"Vector6Ds")
5068 _value_types.append(
"VectorD<6>")
5072 _plural_types.append(
"VectorKDs")
5073 _value_types.append(
"VectorKD")
5077 _plural_types.append(
"VectorKDs")
5078 _value_types.append(
"VectorD<-1>")
5082 r"""get_basis_vector_kd(int D, unsigned int coordinate) -> VectorKD"""
5083 return _IMP_kernel.get_basis_vector_kd(D, coordinate)
5086 r"""get_zero_vector_kd(int D) -> VectorKD"""
5087 return _IMP_kernel.get_zero_vector_kd(D)
5090 r"""get_ones_vector_kd(unsigned int D, double v=1) -> VectorKD"""
5091 return _IMP_kernel.get_ones_vector_kd(D, v)
5094 r"""get_vector_product(Vector3D p1, Vector3D p2) -> Vector3D"""
5095 return _IMP_kernel.get_vector_product(p1, p2)
5098 r"""get_orthogonal_vector(Vector3D v) -> Vector3D"""
5099 return _IMP_kernel.get_orthogonal_vector(v)
5102 r"""get_centroid(IMP::Vector3Ds const & ps) -> Vector3D"""
5103 return _IMP_kernel.get_centroid(ps)
5106 r"""get_radius_of_gyration(IMP::Vector3Ds const & ps) -> double"""
5107 return _IMP_kernel.get_radius_of_gyration(ps)
5108 class RestraintInfo(
Object):
5109 r"""Proxy of C++ IMP::RestraintInfo class."""
5111 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5113 def __init__(self, *args):
5114 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
5115 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
5118 r"""clear(RestraintInfo self)"""
5119 return _IMP_kernel.RestraintInfo_clear(self)
5121 def add_int(self, key, value):
5122 r"""add_int(RestraintInfo self, std::string key, int value)"""
5123 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
5125 def get_number_of_int(self):
5126 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
5127 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
5129 def get_int_key(self, i):
5130 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
5131 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
5133 def get_int_value(self, i):
5134 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
5135 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
5137 def add_float(self, key, value):
5138 r"""add_float(RestraintInfo self, std::string key, double value)"""
5139 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
5141 def get_number_of_float(self):
5142 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
5143 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
5145 def get_float_key(self, i):
5146 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
5147 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
5149 def get_float_value(self, i):
5150 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
5151 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
5153 def add_string(self, key, value):
5154 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
5155 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
5157 def get_number_of_string(self):
5158 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
5159 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
5161 def get_string_key(self, i):
5162 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
5163 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
5165 def get_string_value(self, i):
5166 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
5167 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
5169 def add_filename(self, key, value):
5170 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
5171 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
5173 def get_number_of_filename(self):
5174 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
5175 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
5177 def get_filename_key(self, i):
5178 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
5179 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
5181 def get_filename_value(self, i):
5182 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
5183 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
5185 def add_floats(self, key, value):
5186 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
5187 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
5189 def get_number_of_floats(self):
5190 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
5191 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
5193 def get_floats_key(self, i):
5194 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
5195 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
5197 def get_floats_value(self, i):
5198 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
5199 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
5201 def add_ints(self, key, value):
5202 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
5203 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
5205 def get_number_of_ints(self):
5206 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
5207 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
5209 def get_ints_key(self, i):
5210 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
5211 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
5213 def get_ints_value(self, i):
5214 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
5215 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
5217 def add_strings(self, key, value):
5218 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
5219 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
5221 def get_number_of_strings(self):
5222 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
5223 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
5225 def get_strings_key(self, i):
5226 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
5227 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
5229 def get_strings_value(self, i):
5230 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5231 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
5233 def add_filenames(self, key, value):
5234 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
5235 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
5237 def get_number_of_filenames(self):
5238 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
5239 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
5241 def get_filenames_key(self, i):
5242 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
5243 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
5245 def get_filenames_value(self, i):
5246 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5247 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
5249 def add_particle_indexes(self, key, value):
5250 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
5251 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
5253 def get_number_of_particle_indexes(self):
5254 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
5255 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
5257 def get_particle_indexes_key(self, i):
5258 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
5259 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
5261 def get_particle_indexes_value(self, i):
5262 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
5263 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
5266 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
5267 return _IMP_kernel.RestraintInfo_get_version_info(self)
5268 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
5271 r"""__str__(RestraintInfo self) -> std::string"""
5272 return _IMP_kernel.RestraintInfo___str__(self)
5275 r"""__repr__(RestraintInfo self) -> std::string"""
5276 return _IMP_kernel.RestraintInfo___repr__(self)
5280 return _object_cast_to_RestraintInfo(o)
5284 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
5285 class Restraint(ModelObject):
5286 r"""Proxy of C++ IMP::Restraint class."""
5288 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5290 def __init__(self, *args):
5292 __init__(Restraint self, Model m, std::string name) -> Restraint
5293 __init__(Restraint self) -> Restraint
5295 if self.__class__ == Restraint:
5299 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
5301 if self.__class__ != Restraint:
5302 _director_objects.register(self)
5307 def get_score(self):
5308 r"""get_score(Restraint self) -> double"""
5309 return _IMP_kernel.Restraint_get_score(self)
5311 def evaluate(self, calc_derivs):
5312 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
5313 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
5315 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
5316 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5317 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
5319 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
5320 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5321 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
5323 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
5324 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5325 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
5327 def evaluate_if_good(self, calc_derivatives):
5328 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
5329 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
5331 def evaluate_if_below(self, calc_derivatives, max):
5332 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
5333 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
5335 def unprotected_evaluate(self, da):
5336 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
5337 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
5339 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
5340 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5341 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
5343 def unprotected_evaluate_if_good(self, da, max):
5344 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
5345 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
5347 def unprotected_evaluate_if_below(self, da, max):
5348 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
5349 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
5351 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
5352 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5353 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
5355 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
5356 r"""unprotected_evaluate_moved_if_good(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_good(self, da, moved_pis, reset_pis, max)
5359 def get_static_info(self):
5360 r"""get_static_info(Restraint self) -> RestraintInfo"""
5361 return _IMP_kernel.Restraint_get_static_info(self)
5363 def get_dynamic_info(self):
5364 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
5365 return _IMP_kernel.Restraint_get_dynamic_info(self)
5367 def add_score_and_derivatives(self, sa):
5368 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5369 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
5371 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5372 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5373 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5376 r"""create_decomposition(Restraint self) -> Restraint"""
5377 return _IMP_kernel.Restraint_create_decomposition(self)
5379 def create_current_decomposition(self):
5380 r"""create_current_decomposition(Restraint self) -> Restraint"""
5381 return _IMP_kernel.Restraint_create_current_decomposition(self)
5383 def set_weight(self, weight):
5384 r"""set_weight(Restraint self, IMP::Float weight)"""
5385 return _IMP_kernel.Restraint_set_weight(self, weight)
5387 def get_weight(self):
5388 r"""get_weight(Restraint self) -> IMP::Float"""
5389 return _IMP_kernel.Restraint_get_weight(self)
5391 def get_maximum_score(self):
5392 r"""get_maximum_score(Restraint self) -> double"""
5393 return _IMP_kernel.Restraint_get_maximum_score(self)
5395 def set_maximum_score(self, s):
5396 r"""set_maximum_score(Restraint self, double s)"""
5397 return _IMP_kernel.Restraint_set_maximum_score(self, s)
5400 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
5401 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
5403 def set_last_score(self, s):
5404 r"""set_last_score(Restraint self, double s)"""
5405 return _IMP_kernel.Restraint_set_last_score(self, s)
5407 def set_last_last_score(self, s):
5408 r"""set_last_last_score(Restraint self, double s)"""
5409 return _IMP_kernel.Restraint_set_last_last_score(self, s)
5411 def get_last_score(self):
5412 r"""get_last_score(Restraint self) -> double"""
5413 return _IMP_kernel.Restraint_get_last_score(self)
5415 def get_last_last_score(self):
5416 r"""get_last_last_score(Restraint self) -> double"""
5417 return _IMP_kernel.Restraint_get_last_last_score(self)
5419 def get_is_aggregate(self):
5420 r"""get_is_aggregate(Restraint self) -> bool"""
5421 return _IMP_kernel.Restraint_get_is_aggregate(self)
5423 def get_was_good(self):
5424 r"""get_was_good(Restraint self) -> bool"""
5425 return _IMP_kernel.Restraint_get_was_good(self)
5426 __swig_destroy__ = _IMP_kernel.delete_Restraint
5428 def do_create_decomposition(self):
5429 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
5430 return _IMP_kernel.Restraint_do_create_decomposition(self)
5432 def do_create_current_decomposition(self):
5433 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
5434 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
5436 def do_add_score_and_derivatives(self, sa):
5437 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5438 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
5440 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5441 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5442 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5444 def do_get_outputs(self):
5445 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
5446 return _IMP_kernel.Restraint_do_get_outputs(self)
5447 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
5450 r"""__str__(Restraint self) -> std::string"""
5451 return _IMP_kernel.Restraint___str__(self)
5454 r"""__repr__(Restraint self) -> std::string"""
5455 return _IMP_kernel.Restraint___repr__(self)
5459 return _object_cast_to_Restraint(o)
5462 def do_show(self, out):
5467 return _object_cast_to_Restraint(o)
5470 def _wrap_jax(self, score_func, keys=None):
5471 """Create the return value for _get_jax.
5472 Use this method in _get_jax() to wrap the JAX scoring function
5473 with other model- and restraint-specific information.
5475 @param score_func A function implemented using JAX that takes
5476 a single argument (the current JAX Model) and returns
5477 the score of the restraint.
5478 @param keys If given, a set of IMP::Key objects describing Model
5479 attributes (other than xyz and radius) that the restraint
5480 uses. For example, a restraint that uses electrostatic charge
5481 would pass IMP::atom::Charged::get_charge_key() here.
5483 from IMP._jax_util
import JAXRestraintInfo
5484 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
5485 weight=self.get_weight(), keys=keys)
5488 """Return a JAX implementation of this Restraint.
5489 Implement this method in a Restraint subclass to provide
5490 an equivalent function using [JAX](https://docs.jax.dev/)
5491 that scores the current JAX Model. See also _wrap_jax.
5493 raise NotImplementedError(
5494 f
"No JAX implementation for {self} ({type(self)})")
5496 def _evaluate_jax(self):
5497 """Similar to evaluate(False), but using JAX.
5498 This is intended to be useful for testing purposes. It will likely
5499 not be particularly fast as it will copy the IMP Model and
5500 jax.jit-compile the scoring function each time."""
5502 ji = self._get_jax()
5503 jm = ji.get_jax_model()
5504 j = jax.jit(ji.score_func)
5507 def __disown__(self):
5509 _IMP_kernel.disown_Restraint(self)
5510 return weakref.proxy(self)
5513 r"""do_destroy(Restraint self)"""
5514 return _IMP_kernel.Restraint_do_destroy(self)
5516 def handle_set_has_required_score_states(self, arg0):
5517 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
5518 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
5520 def do_get_inputs(self):
5521 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
5522 return _IMP_kernel.Restraint_do_get_inputs(self)
5524 def do_get_interactions(self):
5525 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
5526 return _IMP_kernel.Restraint_do_get_interactions(self)
5529 _IMP_kernel.Restraint_swigregister(Restraint)
5530 class _RestraintsAdaptor(_InputAdaptor):
5531 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
5533 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5534 __repr__ = _swig_repr
5536 def __init__(self, *args):
5538 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
5539 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
5540 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
5541 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
5543 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
5544 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
5547 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
5548 class RestraintSet(Restraint):
5549 r"""Proxy of C++ IMP::RestraintSet class."""
5551 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5553 def __init__(self, *args):
5555 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5556 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
5557 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5558 __init__(RestraintSet self) -> RestraintSet
5560 if self.__class__ == RestraintSet:
5564 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
5566 if self.__class__ != RestraintSet:
5567 _director_objects.register(self)
5572 def unprotected_evaluate(self, da):
5573 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
5574 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
5576 def get_type_name(self):
5577 r"""get_type_name(RestraintSet self) -> std::string"""
5578 return _IMP_kernel.RestraintSet_get_type_name(self)
5581 r"""get_version_info(RestraintSet self) -> VersionInfo"""
5582 return _IMP_kernel.RestraintSet_get_version_info(self)
5583 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
5584 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)
5585 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
5586 def __del_restraints(self): _list_util.del_varlist(self.restraints)
5587 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
5589 def remove_restraint(self, d):
5590 r"""remove_restraint(RestraintSet self, Restraint d)"""
5591 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
5593 def _python_index_restraint(self, d, start, stop):
5594 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
5595 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
5597 def remove_restraints(self, d):
5598 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
5599 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
5601 def set_restraints(self, ps):
5602 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
5603 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
5605 def set_restraints_order(self, objs):
5606 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
5607 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
5610 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
5611 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
5614 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
5615 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
5617 def clear_restraints(self):
5618 r"""clear_restraints(RestraintSet self)"""
5619 return _IMP_kernel.RestraintSet_clear_restraints(self)
5621 def get_number_of_restraints(self):
5622 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
5623 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
5625 def get_has_restraints(self):
5626 r"""get_has_restraints(RestraintSet self) -> bool"""
5627 return _IMP_kernel.RestraintSet_get_has_restraints(self)
5629 def get_restraint(self, i):
5630 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
5631 return _IMP_kernel.RestraintSet_get_restraint(self, i)
5633 def get_restraints(self):
5634 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
5635 return _IMP_kernel.RestraintSet_get_restraints(self)
5637 def erase_restraint(self, i):
5638 r"""erase_restraint(RestraintSet self, unsigned int i)"""
5639 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
5641 def reserve_restraints(self, sz):
5642 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
5643 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
5645 def get_non_sets_and_sets(self):
5646 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
5647 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
5649 def do_get_inputs(self):
5650 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5651 return _IMP_kernel.RestraintSet_do_get_inputs(self)
5654 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
5655 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
5657 def get_last_score(self):
5658 r"""get_last_score(RestraintSet self) -> double"""
5659 return _IMP_kernel.RestraintSet_get_last_score(self)
5662 r"""__str__(RestraintSet self) -> std::string"""
5663 return _IMP_kernel.RestraintSet___str__(self)
5666 r"""__repr__(RestraintSet self) -> std::string"""
5667 return _IMP_kernel.RestraintSet___repr__(self)
5671 return _object_cast_to_RestraintSet(o)
5674 def do_show(self, out):
5679 return _object_cast_to_RestraintSet(o)
5682 def _get_as_binary(self):
5683 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
5684 return _IMP_kernel.RestraintSet__get_as_binary(self)
5686 def _set_from_binary(self, p):
5687 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
5688 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
5690 def __getstate__(self):
5691 p = self._get_as_binary()
5692 if len(self.__dict__) > 1:
5693 d = self.__dict__.copy()
5698 def __setstate__(self, p):
5699 if not hasattr(self,
'this'):
5701 if isinstance(p, tuple):
5703 self.__dict__.update(d)
5704 return self._set_from_binary(p)
5708 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
5709 funcs = [j.score_func
for j
in jis]
5710 keys = frozenset(x
for j
in jis
for x
in j._keys)
5713 return sum(f(jm)
for f
in funcs)
5717 return self._wrap_jax(jax_sf, keys=keys)
5719 def __disown__(self):
5721 _IMP_kernel.disown_RestraintSet(self)
5722 return weakref.proxy(self)
5725 r"""do_destroy(RestraintSet self)"""
5726 return _IMP_kernel.RestraintSet_do_destroy(self)
5728 def handle_set_has_required_score_states(self, arg0):
5729 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
5730 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
5732 def do_get_outputs(self):
5733 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5734 return _IMP_kernel.RestraintSet_do_get_outputs(self)
5736 def do_get_interactions(self):
5737 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
5738 return _IMP_kernel.RestraintSet_do_get_interactions(self)
5740 def do_create_decomposition(self):
5741 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
5742 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
5744 def do_create_current_decomposition(self):
5745 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
5746 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
5748 def do_add_score_and_derivatives(self, sa):
5749 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
5750 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
5752 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5753 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5754 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5757 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
5759 def get_restraints(rs):
5760 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
5761 return _IMP_kernel.get_restraints(rs)
5763 def _check_particle(p, a):
5764 if (
not p.get_is_active()):
5765 raise ValueError(
"Inactive Particle")
5766 if (type(a)() == a):
5767 raise IndexError(
"Cannot use default Index")
5768 if (
not p.has_attribute(a)):
5769 raise IndexError(
"Particle does not have attribute")
5771 class Particle(ModelObject):
5772 r"""Proxy of C++ IMP::Particle class."""
5774 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5777 r"""get_version_info(Particle self) -> VersionInfo"""
5778 return _IMP_kernel.Particle_get_version_info(self)
5779 __swig_destroy__ = _IMP_kernel.delete_Particle
5781 def __init__(self, *args):
5783 __init__(Particle self, Model m, std::string name) -> Particle
5784 __init__(Particle self, Model m) -> Particle
5785 __init__(Particle self) -> Particle
5787 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
5789 def get_float_keys(self):
5790 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
5791 return _IMP_kernel.Particle_get_float_keys(self)
5793 def get_floats_keys(self):
5794 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
5795 return _IMP_kernel.Particle_get_floats_keys(self)
5797 def get_int_keys(self):
5798 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
5799 return _IMP_kernel.Particle_get_int_keys(self)
5801 def get_ints_keys(self):
5802 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
5803 return _IMP_kernel.Particle_get_ints_keys(self)
5805 def get_string_keys(self):
5806 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
5807 return _IMP_kernel.Particle_get_string_keys(self)
5809 def get_object_keys(self):
5810 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
5811 return _IMP_kernel.Particle_get_object_keys(self)
5813 def add_cache_attribute(self, *args):
5815 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
5816 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
5817 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
5818 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
5819 add_cache_attribute(Particle self, StringKey name, IMP::String value)
5820 add_cache_attribute(Particle self, ObjectKey name, Object value)
5821 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
5823 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
5825 def get_weak_object_keys(self):
5826 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
5827 return _IMP_kernel.Particle_get_weak_object_keys(self)
5829 def add_to_derivative(self, *args):
5831 add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)
5832 add_to_derivative(Particle self, Vector3DDerivKey key, Vector3D value, DerivativeAccumulator da)
5833 add_to_derivative(Particle self, Vector4DDerivKey key, Vector4D value, DerivativeAccumulator da)
5835 return _IMP_kernel.Particle_add_to_derivative(self, *args)
5837 def set_is_optimized(self, *args):
5839 set_is_optimized(Particle self, FloatKey k, bool tf)
5840 set_is_optimized(Particle self, Vector3DDerivKey k, bool tf)
5841 set_is_optimized(Particle self, Vector4DDerivKey k, bool tf)
5843 return _IMP_kernel.Particle_set_is_optimized(self, *args)
5845 def get_is_optimized(self, *args):
5847 get_is_optimized(Particle self, FloatKey k) -> bool
5848 get_is_optimized(Particle self, Vector3DDerivKey k) -> bool
5849 get_is_optimized(Particle self, Vector4DDerivKey k) -> bool
5851 return _IMP_kernel.Particle_get_is_optimized(self, *args)
5853 def get_derivative(self, *args):
5855 get_derivative(Particle self, FloatKey k) -> IMP::Float
5856 get_derivative(Particle self, Vector3DDerivKey k) -> Vector3D
5857 get_derivative(Particle self, Vector4DDerivKey k) -> Vector4D
5859 return _IMP_kernel.Particle_get_derivative(self, *args)
5861 def add_attribute(self, *args):
5863 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
5864 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
5865 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
5866 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
5867 add_attribute(Particle self, StringKey name, IMP::String initial_value)
5868 add_attribute(Particle self, ObjectKey name, Object initial_value)
5869 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
5870 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
5871 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
5872 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
5873 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
5874 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
5875 add_attribute(Particle self, ParticleIndexKey k, Particle v)
5877 return _IMP_kernel.Particle_add_attribute(self, *args)
5879 def has_attribute(self, *args):
5881 has_attribute(Particle self, FloatKey name) -> bool
5882 has_attribute(Particle self, FloatsKey name) -> bool
5883 has_attribute(Particle self, IntKey name) -> bool
5884 has_attribute(Particle self, IntsKey name) -> bool
5885 has_attribute(Particle self, StringKey name) -> bool
5886 has_attribute(Particle self, ObjectKey name) -> bool
5887 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
5888 has_attribute(Particle self, SparseStringKey name) -> bool
5889 has_attribute(Particle self, SparseIntKey name) -> bool
5890 has_attribute(Particle self, SparseFloatKey name) -> bool
5891 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
5892 has_attribute(Particle self, ParticleIndexKey k) -> bool
5894 return _IMP_kernel.Particle_has_attribute(self, *args)
5896 def set_value(self, *args):
5898 set_value(Particle self, FloatKey name, IMP::Float value)
5899 set_value(Particle self, FloatsKey name, IMP::Floats value)
5900 set_value(Particle self, IntKey name, IMP::Int value)
5901 set_value(Particle self, IntsKey name, IMP::Ints value)
5902 set_value(Particle self, StringKey name, IMP::String value)
5903 set_value(Particle self, ObjectKey name, Object value)
5904 set_value(Particle self, IMP::WeakObjectKey name, Object value)
5905 set_value(Particle self, SparseStringKey name, IMP::String value)
5906 set_value(Particle self, SparseIntKey name, IMP::Int value)
5907 set_value(Particle self, SparseFloatKey name, IMP::Float value)
5908 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
5909 set_value(Particle self, ParticleIndexKey k, Particle v)
5911 return _IMP_kernel.Particle_set_value(self, *args)
5913 def get_value(self, *args):
5915 get_value(Particle self, FloatKey name) -> IMP::Float
5916 get_value(Particle self, FloatsKey name) -> IMP::Floats
5917 get_value(Particle self, IntKey name) -> IMP::Int
5918 get_value(Particle self, IntsKey name) -> IMP::Ints
5919 get_value(Particle self, StringKey name) -> IMP::String
5920 get_value(Particle self, ObjectKey name) -> Object
5921 get_value(Particle self, IMP::WeakObjectKey name) -> Object
5922 get_value(Particle self, SparseStringKey name) -> IMP::String
5923 get_value(Particle self, SparseIntKey name) -> IMP::Int
5924 get_value(Particle self, SparseFloatKey name) -> IMP::Float
5925 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
5926 get_value(Particle self, ParticleIndexKey k) -> Particle
5928 return _IMP_kernel.Particle_get_value(self, *args)
5930 def remove_attribute(self, *args):
5932 remove_attribute(Particle self, FloatKey name)
5933 remove_attribute(Particle self, FloatsKey name)
5934 remove_attribute(Particle self, IntKey name)
5935 remove_attribute(Particle self, IntsKey name)
5936 remove_attribute(Particle self, StringKey name)
5937 remove_attribute(Particle self, ObjectKey name)
5938 remove_attribute(Particle self, IMP::WeakObjectKey name)
5939 remove_attribute(Particle self, SparseStringKey name)
5940 remove_attribute(Particle self, SparseIntKey name)
5941 remove_attribute(Particle self, SparseFloatKey name)
5942 remove_attribute(Particle self, SparseParticleIndexKey name)
5943 remove_attribute(Particle self, ParticleIndexKey k)
5945 return _IMP_kernel.Particle_remove_attribute(self, *args)
5947 def get_particle_keys(self):
5948 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
5949 return _IMP_kernel.Particle_get_particle_keys(self)
5951 def show(self, *args):
5952 r"""show(Particle self, _ostream out=std::cout)"""
5953 return _IMP_kernel.Particle_show(self, *args)
5955 def get_is_active(self):
5956 r"""get_is_active(Particle self) -> bool"""
5957 return _IMP_kernel.Particle_get_is_active(self)
5960 r"""get_index(Particle self) -> ParticleIndex"""
5961 return _IMP_kernel.Particle_get_index(self)
5963 def __eq__(self, *args):
5965 __eq__(Particle self, Particle o) -> bool
5966 __eq__(Particle self, Decorator d) -> bool
5968 return _IMP_kernel.Particle___eq__(self, *args)
5970 def __ne__(self, *args):
5972 __ne__(Particle self, Particle o) -> bool
5973 __ne__(Particle self, Decorator d) -> bool
5975 return _IMP_kernel.Particle___ne__(self, *args)
5977 def __le__(self, *args):
5979 __le__(Particle self, Particle o) -> bool
5980 __le__(Particle self, Decorator d) -> bool
5982 return _IMP_kernel.Particle___le__(self, *args)
5984 def __lt__(self, *args):
5986 __lt__(Particle self, Particle o) -> bool
5987 __lt__(Particle self, Decorator d) -> bool
5989 return _IMP_kernel.Particle___lt__(self, *args)
5991 def __ge__(self, *args):
5993 __ge__(Particle self, Particle o) -> bool
5994 __ge__(Particle self, Decorator d) -> bool
5996 return _IMP_kernel.Particle___ge__(self, *args)
5998 def __gt__(self, *args):
6000 __gt__(Particle self, Particle o) -> bool
6001 __gt__(Particle self, Decorator d) -> bool
6003 return _IMP_kernel.Particle___gt__(self, *args)
6005 __hash__ = ModelObject.__hash__
6009 r"""__str__(Particle self) -> std::string"""
6010 return _IMP_kernel.Particle___str__(self)
6013 r"""__repr__(Particle self) -> std::string"""
6014 return _IMP_kernel.Particle___repr__(self)
6018 return _object_cast_to_Particle(o)
6021 def _get_as_binary(self):
6022 r"""_get_as_binary(Particle self) -> PyObject *"""
6023 return _IMP_kernel.Particle__get_as_binary(self)
6025 def _set_from_binary(self, p):
6026 r"""_set_from_binary(Particle self, PyObject * p)"""
6027 return _IMP_kernel.Particle__set_from_binary(self, p)
6029 def __getstate__(self):
6030 p = self._get_as_binary()
6031 if len(self.__dict__) > 1:
6032 d = self.__dict__.copy()
6037 def __setstate__(self, p):
6038 if not hasattr(self,
'this'):
6040 if isinstance(p, tuple):
6042 self.__dict__.update(d)
6043 return self._set_from_binary(p)
6047 _IMP_kernel.Particle_swigregister(Particle)
6048 class _ParticleAdaptor(_InputAdaptor):
6049 r"""Proxy of C++ IMP::ParticleAdaptor class."""
6051 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6052 __repr__ = _swig_repr
6054 def __init__(self, *args):
6056 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
6057 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
6058 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
6060 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
6062 def get_model(self):
6063 r"""get_model(_ParticleAdaptor self) -> Model"""
6064 return _IMP_kernel._ParticleAdaptor_get_model(self)
6066 def get_particle_index(self):
6067 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
6068 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
6069 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
6072 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
6073 class _DependencyGraphVertexIndex(object):
6074 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
6076 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6077 __repr__ = _swig_repr
6080 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
6081 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
6082 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
6085 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
6087 def show_as_graphviz(name, out):
6088 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
6089 return _IMP_kernel.show_as_graphviz(name, out)
6091 def get_vertex_index(g):
6092 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
6093 return _IMP_kernel.get_vertex_index(g)
6096 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
6097 return _IMP_kernel.get_dependency_graph(m)
6100 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
6101 return _IMP_kernel.get_pruned_dependency_graph(m)
6103 def get_dependent_particles(p, all, dg, index):
6104 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
6105 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
6107 def get_required_score_states(*args):
6109 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
6110 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
6111 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
6113 return _IMP_kernel.get_required_score_states(*args)
6114 class ScoringFunction(ModelObject):
6115 r"""Proxy of C++ IMP::ScoringFunction class."""
6117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6119 def do_add_score_and_derivatives(self, sa, ss):
6120 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
6121 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
6123 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
6124 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)"""
6125 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
6127 def get_score_accumulator_if_below(self, deriv, max):
6128 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
6129 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
6131 def get_score_accumulator_if_good(self, deriv):
6132 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6133 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
6135 def get_score_accumulator(self, deriv):
6136 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6137 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
6139 def __init__(self, *args):
6141 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
6142 __init__(ScoringFunction self) -> ScoringFunction
6144 if self.__class__ == ScoringFunction:
6148 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
6150 if self.__class__ != ScoringFunction:
6151 _director_objects.register(self)
6156 def do_get_outputs(self):
6157 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6158 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
6160 def evaluate(self, derivatives):
6161 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
6162 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
6164 def evaluate_if_good(self, derivatives):
6165 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
6166 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
6168 def evaluate_if_below(self, derivatives, max):
6169 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
6170 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
6172 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
6173 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6174 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
6176 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
6177 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
6178 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
6180 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
6181 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6182 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
6184 def get_had_good_score(self):
6185 r"""get_had_good_score(ScoringFunction self) -> bool"""
6186 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
6188 def get_last_score(self):
6189 r"""get_last_score(ScoringFunction self) -> double"""
6190 return _IMP_kernel.ScoringFunction_get_last_score(self)
6193 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
6194 return _IMP_kernel.ScoringFunction_create_restraints(self)
6196 def get_single_restraint(self):
6197 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
6198 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
6201 r"""__str__(ScoringFunction self) -> std::string"""
6202 return _IMP_kernel.ScoringFunction___str__(self)
6205 r"""__repr__(ScoringFunction self) -> std::string"""
6206 return _IMP_kernel.ScoringFunction___repr__(self)
6210 return _object_cast_to_ScoringFunction(o)
6213 def do_show(self, out):
6218 return _object_cast_to_ScoringFunction(o)
6222 r = self.get_single_restraint()
6224 raise NotImplementedError(
6225 f
"No JAX implementation for {self} ({type(self)})")
6227 return r.get_derived_object()._get_jax()
6229 def _evaluate_jax(self):
6230 """Similar to evaluate(False), but using JAX.
6231 This is intended to be useful for testing purposes. It will likely
6232 not be particularly fast as it will copy the IMP Model and
6233 jax.jit-compile the scoring function each time."""
6235 ji = self._get_jax()
6236 jm = ji.get_jax_model()
6237 j = jax.jit(ji.score_func)
6240 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
6241 def __disown__(self):
6243 _IMP_kernel.disown_ScoringFunction(self)
6244 return weakref.proxy(self)
6247 r"""do_destroy(ScoringFunction self)"""
6248 return _IMP_kernel.ScoringFunction_do_destroy(self)
6250 def handle_set_has_required_score_states(self, arg0):
6251 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
6252 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
6254 def do_get_inputs(self):
6255 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6256 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
6258 def do_get_interactions(self):
6259 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
6260 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
6263 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
6267 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
6268 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
6270 return _IMP_kernel.create_decomposition(*args)
6271 class _ScoringFunctionAdaptor(_InputAdaptor):
6272 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
6274 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6275 __repr__ = _swig_repr
6277 def __init__(self, *args):
6279 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
6280 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
6281 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
6282 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
6283 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
6285 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
6286 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
6289 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
6292 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
6293 return _IMP_kernel.show_restraint_hierarchy(*args)
6294 class Undecorator(
Object):
6295 r"""Proxy of C++ IMP::Undecorator class."""
6297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6299 def __init__(self, m, name):
6300 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
6301 if self.__class__ == Undecorator:
6305 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
6307 if self.__class__ != Undecorator:
6308 _director_objects.register(self)
6313 def teardown(self, pi):
6314 r"""teardown(Undecorator self, ParticleIndex pi)"""
6315 return _IMP_kernel.Undecorator_teardown(self, pi)
6318 r"""__str__(Undecorator self) -> std::string"""
6319 return _IMP_kernel.Undecorator___str__(self)
6322 r"""__repr__(Undecorator self) -> std::string"""
6323 return _IMP_kernel.Undecorator___repr__(self)
6327 return _object_cast_to_Undecorator(o)
6330 def do_show(self, out):
6335 return _object_cast_to_Undecorator(o)
6337 __swig_destroy__ = _IMP_kernel.delete_Undecorator
6338 def __disown__(self):
6340 _IMP_kernel.disown_Undecorator(self)
6341 return weakref.proxy(self)
6344 r"""do_destroy(Undecorator self)"""
6345 return _IMP_kernel.Undecorator_do_destroy(self)
6348 _IMP_kernel.Undecorator_swigregister(Undecorator)
6350 r"""Proxy of C++ IMP::Model class."""
6352 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6354 def __init__(self, *args):
6355 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
6356 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
6358 if self
not in _models_set:
6359 _models_set.add(self)
6364 def clear_particle_caches(self, pi):
6365 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
6366 return _IMP_kernel.Model_clear_particle_caches(self, pi)
6369 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
6370 return _IMP_kernel.Model_add_particle(self, name)
6372 def get_particle_name(self, pi):
6373 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
6374 return _IMP_kernel.Model_get_particle_name(self, pi)
6376 def add_undecorator(self, pi, d):
6377 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
6378 return _IMP_kernel.Model_add_undecorator(self, pi, d)
6380 def get_dependent_restraints_uncached(self, pi):
6381 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
6382 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
6384 def get_dependent_particles_uncached(self, pi):
6385 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
6386 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
6388 def get_dependent_score_states_uncached(self, pi):
6389 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
6390 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
6391 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)
6392 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
6393 def __del_score_states(self): _list_util.del_varlist(self.score_states)
6394 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
6396 def remove_score_state(self, d):
6397 r"""remove_score_state(Model self, ScoreState d)"""
6398 return _IMP_kernel.Model_remove_score_state(self, d)
6400 def _python_index_score_state(self, d, start, stop):
6401 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
6402 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
6404 def remove_score_states(self, d):
6405 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
6406 return _IMP_kernel.Model_remove_score_states(self, d)
6408 def set_score_states(self, ps):
6409 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
6410 return _IMP_kernel.Model_set_score_states(self, ps)
6412 def set_score_states_order(self, objs):
6413 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
6414 return _IMP_kernel.Model_set_score_states_order(self, objs)
6416 def add_score_state(self, obj):
6417 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
6418 return _IMP_kernel.Model_add_score_state(self, obj)
6420 def add_score_states(self, objs):
6421 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
6422 return _IMP_kernel.Model_add_score_states(self, objs)
6424 def clear_score_states(self):
6425 r"""clear_score_states(Model self)"""
6426 return _IMP_kernel.Model_clear_score_states(self)
6428 def get_number_of_score_states(self):
6429 r"""get_number_of_score_states(Model self) -> unsigned int"""
6430 return _IMP_kernel.Model_get_number_of_score_states(self)
6432 def get_has_score_states(self):
6433 r"""get_has_score_states(Model self) -> bool"""
6434 return _IMP_kernel.Model_get_has_score_states(self)
6436 def get_score_state(self, i):
6437 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
6438 return _IMP_kernel.Model_get_score_state(self, i)
6440 def get_score_states(self):
6441 r"""get_score_states(Model self) -> IMP::ScoreStates"""
6442 return _IMP_kernel.Model_get_score_states(self)
6444 def erase_score_state(self, i):
6445 r"""erase_score_state(Model self, unsigned int i)"""
6446 return _IMP_kernel.Model_erase_score_state(self, i)
6448 def reserve_score_states(self, sz):
6449 r"""reserve_score_states(Model self, unsigned int sz)"""
6450 return _IMP_kernel.Model_reserve_score_states(self, sz)
6453 r"""update(Model self)"""
6454 return _IMP_kernel.Model_update(self)
6456 def get_ordered_score_states(self):
6457 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
6458 return _IMP_kernel.Model_get_ordered_score_states(self)
6460 def add_cache_attribute(self, *args):
6462 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6463 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6464 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6465 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6466 add_cache_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6467 add_cache_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6468 add_cache_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6469 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6470 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6471 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6472 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6473 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6474 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6476 return _IMP_kernel.Model_add_cache_attribute(self, *args)
6478 def add_attribute(self, *args):
6480 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6481 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6482 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6483 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6484 add_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6485 add_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6486 add_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6487 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6488 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6489 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6490 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6491 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6492 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6493 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6494 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6495 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6496 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6498 return _IMP_kernel.Model_add_attribute(self, *args)
6500 def remove_attribute(self, *args):
6502 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
6503 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
6504 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
6505 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
6506 remove_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle)
6507 remove_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle)
6508 remove_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle)
6509 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
6510 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
6511 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
6512 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
6513 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
6514 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
6515 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
6516 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
6517 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
6518 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
6520 return _IMP_kernel.Model_remove_attribute(self, *args)
6522 def get_has_attribute(self, *args):
6524 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
6525 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
6526 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
6527 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
6528 get_has_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> bool
6529 get_has_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> bool
6530 get_has_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> bool
6531 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
6532 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
6533 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
6534 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6535 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
6536 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
6537 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
6538 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
6539 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
6540 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6542 return _IMP_kernel.Model_get_has_attribute(self, *args)
6544 def set_attribute(self, *args):
6546 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6547 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6548 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6549 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6550 set_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6551 set_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6552 set_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6553 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6554 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6555 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6556 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6557 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6558 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6559 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6560 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6561 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6562 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6564 return _IMP_kernel.Model_set_attribute(self, *args)
6566 def get_attribute(self, *args):
6568 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6569 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
6570 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
6571 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> Vector3D
6572 get_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> Vector4D
6573 get_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> Vector3D
6574 get_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> Vector4D
6575 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
6576 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
6577 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
6578 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6579 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
6580 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
6581 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
6582 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
6583 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6584 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6586 return _IMP_kernel.Model_get_attribute(self, *args)
6588 def set_is_optimized(self, *args):
6590 set_is_optimized(Model self, Vector3DDerivKey arg2, ParticleIndex arg3, bool arg4)
6591 set_is_optimized(Model self, Vector4DDerivKey arg2, ParticleIndex arg3, bool arg4)
6592 set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)
6594 return _IMP_kernel.Model_set_is_optimized(self, *args)
6596 def add_to_derivative(self, *args):
6598 add_to_derivative(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D v, DerivativeAccumulator da)
6599 add_to_derivative(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D v, DerivativeAccumulator da)
6600 add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)
6602 return _IMP_kernel.Model_add_to_derivative(self, *args)
6604 def get_particle(self, p):
6605 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
6606 return _IMP_kernel.Model_get_particle(self, p)
6608 def get_has_particle(self, p):
6609 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
6610 return _IMP_kernel.Model_get_has_particle(self, p)
6613 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
6614 return _IMP_kernel.Model_get_particle_indexes(self)
6616 def get_model_objects(self):
6617 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
6618 return _IMP_kernel.Model_get_model_objects(self)
6620 def remove_particle(self, pi):
6621 r"""remove_particle(Model self, ParticleIndex pi)"""
6622 return _IMP_kernel.Model_remove_particle(self, pi)
6624 def add_data(self, mk, o):
6625 r"""add_data(Model self, ModelKey mk, Object o)"""
6626 return _IMP_kernel.Model_add_data(self, mk, o)
6628 def get_data(self, mk):
6629 r"""get_data(Model self, ModelKey mk) -> Object"""
6630 return _IMP_kernel.Model_get_data(self, mk)
6632 def remove_data(self, mk):
6633 r"""remove_data(Model self, ModelKey mk)"""
6634 return _IMP_kernel.Model_remove_data(self, mk)
6636 def get_has_data(self, mk):
6637 r"""get_has_data(Model self, ModelKey mk) -> bool"""
6638 return _IMP_kernel.Model_get_has_data(self, mk)
6641 r"""get_age(Model self) -> unsigned int"""
6642 return _IMP_kernel.Model_get_age(self)
6644 def get_trigger_last_updated(self, tk):
6645 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
6646 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
6648 def set_trigger_updated(self, tk):
6649 r"""set_trigger_updated(Model self, TriggerKey tk)"""
6650 return _IMP_kernel.Model_set_trigger_updated(self, tk)
6652 def get_dependencies_updated(self):
6653 r"""get_dependencies_updated(Model self) -> unsigned int"""
6654 return _IMP_kernel.Model_get_dependencies_updated(self)
6656 def get_removed_particles_attributes_age(self):
6657 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
6658 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
6660 def save_dependencies(self):
6661 r"""save_dependencies(Model self)"""
6662 return _IMP_kernel.Model_save_dependencies(self)
6664 def restore_dependencies(self):
6665 r"""restore_dependencies(Model self)"""
6666 return _IMP_kernel.Model_restore_dependencies(self)
6668 def get_particles_size(self):
6669 r"""get_particles_size(Model self) -> unsigned int"""
6670 return _IMP_kernel.Model_get_particles_size(self)
6672 def get_unique_id(self):
6673 r"""get_unique_id(Model self) -> uint32_t"""
6674 return _IMP_kernel.Model_get_unique_id(self)
6677 def get_by_unique_id(id):
6678 r"""get_by_unique_id(uint32_t id) -> Model"""
6679 return _IMP_kernel.Model_get_by_unique_id(id)
6682 r"""get_version_info(Model self) -> VersionInfo"""
6683 return _IMP_kernel.Model_get_version_info(self)
6684 __swig_destroy__ = _IMP_kernel.delete_Model
6686 r"""__del__(Model self)"""
6688 _director_objects.cleanup()
6695 r"""do_destroy(Model self)"""
6696 return _IMP_kernel.Model_do_destroy(self)
6699 r"""__str__(Model self) -> std::string"""
6700 return _IMP_kernel.Model___str__(self)
6703 r"""__repr__(Model self) -> std::string"""
6704 return _IMP_kernel.Model___repr__(self)
6708 return _object_cast_to_Model(o)
6711 def _get_as_binary(self):
6712 r"""_get_as_binary(Model self) -> PyObject *"""
6713 return _IMP_kernel.Model__get_as_binary(self)
6715 def _set_from_binary(self, p):
6716 r"""_set_from_binary(Model self, PyObject * p)"""
6717 return _IMP_kernel.Model__set_from_binary(self, p)
6719 def __getstate__(self):
6720 p = self._get_as_binary()
6721 if len(self.__dict__) > 1:
6722 d = self.__dict__.copy()
6727 def __setstate__(self, p):
6728 if not hasattr(self,
'this'):
6730 if isinstance(p, tuple):
6732 self.__dict__.update(d)
6733 return self._set_from_binary(p)
6737 """Get the model's attribute array for IntKey k as a NumPy array.
6738 The array is indexed by ParticleIndex; particles that don't have
6739 this attribute will either be off the end of the array or will have
6741 This is a NumPy view that shares memory with the Model. Thus,
6742 any changes to values in this list will be reflected in the Model.
6743 Also, if the Model attribute array moves in memory (e.g. if particles
6744 or attributes are added) this array will be invalidated, so it is
6745 unsafe to keep it around long term.
6746 If read_only is set True, values in the array cannot be changed.
6748 return _get_ints_numpy(self, k, self, read_only)
6751 """Get the model's attribute array for any type of Key
6752 k as a NumPy array. See Model::get_ints_numpy() for more details."""
6753 _numpy_meth_map = {IntKey: _get_ints_numpy,
6754 FloatKey: _get_floats_numpy,
6755 Vector3DKey: _get_vector3ds_numpy,
6756 Vector3DDerivKey: _get_vector3dderiv_numpy,
6757 Vector4DKey: _get_vector4ds_numpy,
6758 Vector4DDerivKey: _get_vector4dderiv_numpy}
6759 return _numpy_meth_map[type(k)](self, k, self, read_only)
6762 """Get the model's attribute array for FloatKey k as a NumPy array.
6763 See Model::get_ints_numpy() for more details."""
6764 return _get_floats_numpy(self, k, self, read_only)
6767 """Get the model's attribute derivatives array for key k
6768 as a NumPy array. See Model::get_ints_numpy() for more details."""
6770 FloatKey: _get_derivatives_numpy,
6771 Vector3DDerivKey: _get_vector3dderiv_derivatives_numpy,
6772 Vector4DDerivKey: _get_vector4dderiv_derivatives_numpy}
6773 return _numpy_meth_map[type(k)](self, k, self, read_only)
6776 """Get the model's attribute array for Vector3DKey k as a NumPy array.
6777 See Model::get_ints_numpy() for more details."""
6778 return _get_vector3ds_numpy(self, k, self, read_only)
6781 """Get the model's XYZR attribute arrays as NumPy arrays.
6782 The attribute arrays for Cartesian coordinates and radii are
6783 stored separately from those for other FloatKeys. This function
6784 returns a tuple of two NumPy arrays, the first of coordinates and
6785 the second of radii. See Model::get_ints_numpy() for more details."""
6786 return _get_spheres_numpy(self, self, read_only)
6789 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
6790 See Model::get_ints_numpy() for more details."""
6791 return _get_sphere_derivatives_numpy(self, self, read_only)
6794 """Get the model's internal coordinate array as a NumPy array.
6795 The attribute arrays for rigid body internal coordinates are
6796 stored separately from those for other FloatKeys.
6797 See Model::get_ints_numpy() for more details."""
6798 return _get_internal_coordinates_numpy(self, self, read_only)
6801 """Get the model's internal coordinate derivative array as a
6803 See Model::get_ints_numpy() for more details."""
6804 return _get_internal_coordinate_derivatives_numpy(
6805 self, self, read_only)
6809 _IMP_kernel.Model_swigregister(Model)
6811 r"""Proxy of C++ IMP::Decorator class."""
6813 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6814 __repr__ = _swig_repr
6816 def __init__(self, p):
6817 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
6818 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
6820 def __ne__(self, o):
6821 r"""__ne__(Decorator self, Object o) -> bool"""
6822 return _IMP_kernel.Decorator___ne__(self, o)
6824 def __lt__(self, o):
6825 r"""__lt__(Decorator self, Object o) -> bool"""
6826 return _IMP_kernel.Decorator___lt__(self, o)
6828 def __gt__(self, o):
6829 r"""__gt__(Decorator self, Object o) -> bool"""
6830 return _IMP_kernel.Decorator___gt__(self, o)
6832 def __ge__(self, o):
6833 r"""__ge__(Decorator self, Object o) -> bool"""
6834 return _IMP_kernel.Decorator___ge__(self, o)
6836 def __le__(self, o):
6837 r"""__le__(Decorator self, Object o) -> bool"""
6838 return _IMP_kernel.Decorator___le__(self, o)
6841 r"""get_particle(Decorator self) -> Particle"""
6842 return _IMP_kernel.Decorator_get_particle(self)
6844 def get_particle_index(self):
6845 r"""get_particle_index(Decorator self) -> ParticleIndex"""
6846 return _IMP_kernel.Decorator_get_particle_index(self)
6848 def get_model(self):
6849 m = _IMP_kernel.Decorator_get_model(self)
6850 if m
in _models_set:
6851 m = _models_set_get(m)
6856 def get_is_valid(self):
6857 r"""get_is_valid(Decorator self) -> bool"""
6858 return _IMP_kernel.Decorator_get_is_valid(self)
6861 r"""__hash__(Decorator self) -> std::size_t"""
6862 return _IMP_kernel.Decorator___hash__(self)
6864 def __eq__(self, *args):
6866 __eq__(Decorator self, Object o) -> bool
6867 __eq__(Decorator self, Decorator o) -> bool
6868 __eq__(Decorator self, Particle o) -> bool
6870 return _IMP_kernel.Decorator___eq__(self, *args)
6873 r"""__bool__(Decorator self) -> bool"""
6874 return _IMP_kernel.Decorator___bool__(self)
6875 __swig_destroy__ = _IMP_kernel.delete_Decorator
6878 _IMP_kernel.Decorator_swigregister(Decorator)
6880 def check_particle(m, pi):
6881 r"""check_particle(Model m, ParticleIndex pi)"""
6882 return _IMP_kernel.check_particle(m, pi)
6884 r"""Proxy of C++ IMP::UnaryFunction class."""
6886 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6888 def __init__(self, *args):
6889 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
6890 if self.__class__ == UnaryFunction:
6894 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
6896 if self.__class__ != UnaryFunction:
6897 _director_objects.register(self)
6902 def evaluate(self, feature):
6903 r"""evaluate(UnaryFunction self, double feature) -> double"""
6904 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
6906 def evaluate_with_derivative(self, feature):
6907 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
6908 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
6909 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
6912 r"""__str__(UnaryFunction self) -> std::string"""
6913 return _IMP_kernel.UnaryFunction___str__(self)
6916 r"""__repr__(UnaryFunction self) -> std::string"""
6917 return _IMP_kernel.UnaryFunction___repr__(self)
6921 return _object_cast_to_UnaryFunction(o)
6924 def do_show(self, out):
6929 return _object_cast_to_UnaryFunction(o)
6933 """Return a JAX implementation of this UnaryFunction.
6934 Implement this method in a UnaryFunction subclass to provide
6935 an equivalent function using [JAX](https://docs.jax.dev/)
6936 that scores the provided feature value.
6938 raise NotImplementedError(
6939 f
"No JAX implementation for {self} ({type(self)})")
6941 def __disown__(self):
6943 _IMP_kernel.disown_UnaryFunction(self)
6944 return weakref.proxy(self)
6947 r"""do_destroy(UnaryFunction self)"""
6948 return _IMP_kernel.UnaryFunction_do_destroy(self)
6951 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
6953 r"""Proxy of C++ IMP::OptimizerState class."""
6955 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6957 def __init__(self, *args):
6959 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
6960 __init__(OptimizerState self) -> OptimizerState
6962 if self.__class__ == OptimizerState:
6966 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
6968 if self.__class__ != OptimizerState:
6969 _director_objects.register(self)
6975 r"""update(OptimizerState self)"""
6976 return _IMP_kernel.OptimizerState_update(self)
6978 def set_is_optimizing(self, arg0):
6979 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
6980 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
6982 def get_optimizer(self):
6983 r"""get_optimizer(OptimizerState self) -> Optimizer"""
6984 return _IMP_kernel.OptimizerState_get_optimizer(self)
6986 def set_period(self, p):
6987 r"""set_period(OptimizerState self, unsigned int p)"""
6988 return _IMP_kernel.OptimizerState_set_period(self, p)
6990 def get_period(self):
6991 r"""get_period(OptimizerState self) -> unsigned int"""
6992 return _IMP_kernel.OptimizerState_get_period(self)
6995 r"""reset(OptimizerState self)"""
6996 return _IMP_kernel.OptimizerState_reset(self)
6998 def update_always(self):
6999 r"""update_always(OptimizerState self)"""
7000 return _IMP_kernel.OptimizerState_update_always(self)
7002 def get_number_of_updates(self):
7003 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
7004 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
7006 def set_number_of_updates(self, n):
7007 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
7008 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
7009 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
7011 def do_update(self, arg0):
7012 r"""do_update(OptimizerState self, unsigned int arg0)"""
7013 return _IMP_kernel.OptimizerState_do_update(self, arg0)
7015 def do_set_is_optimizing(self, arg0):
7016 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
7017 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
7019 def do_get_inputs(self):
7020 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7021 return _IMP_kernel.OptimizerState_do_get_inputs(self)
7023 def do_get_outputs(self):
7024 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7025 return _IMP_kernel.OptimizerState_do_get_outputs(self)
7028 r"""__str__(OptimizerState self) -> std::string"""
7029 return _IMP_kernel.OptimizerState___str__(self)
7032 r"""__repr__(OptimizerState self) -> std::string"""
7033 return _IMP_kernel.OptimizerState___repr__(self)
7037 return _object_cast_to_OptimizerState(o)
7040 def do_show(self, out):
7045 return _object_cast_to_OptimizerState(o)
7048 def _get_jax(self, state_index):
7049 """Add JAX support for this OptimizerState.
7051 Each OptimizerState must explicitly support how it is going to
7052 be called when the Optimizer is run via JAX.
7054 OptimizerStates can run as traditional IMP CPU code
7055 on the IMP Model object, in which case None should be returned here.
7056 The Optimizer will sync any necessary information from JAX back
7057 with the IMP Model before calling the OptimizerState. However,
7058 the OptimizerState is not permitted to modify the Model; any
7059 changes will not be propagated back to the Optimizer.
7060 (For example, a thermostat which tries to change particle
7061 velocities will not function correctly.)
7063 Alternatively, a pure JAX implementation can be provided.
7064 See _wrap_jax for more information.
7066 raise NotImplementedError(
7067 f
"No JAX implementation for {self} ({type(self)})")
7069 def _wrap_jax(self, init_func, apply_func):
7070 """Create the return value for _get_jax.
7071 Use this method in _get_jax() to wrap the JAX function
7072 with other OptimizerState-specific information.
7074 @param init_func a JAX function which, given a JAX Optimizer,
7075 does any necessary setup and returns a (possibly modified)
7076 JAX Optimizer. If any OptimizerState-specific
7077 persistent state is needed, it can be stored in
7078 `opt.optimizer_states[state_index]` and later retrieved or
7079 modified in apply_func.
7080 @param apply_func a JAX function which, given a JAX Optimizer,
7081 does the JAX equivalent of do_update() and returns a new
7084 from IMP._jax_util
import JAXOptimizerStateInfo
7085 return JAXOptimizerStateInfo(self, init_func, apply_func)
7087 def __disown__(self):
7089 _IMP_kernel.disown_OptimizerState(self)
7090 return weakref.proxy(self)
7093 r"""do_destroy(OptimizerState self)"""
7094 return _IMP_kernel.OptimizerState_do_destroy(self)
7096 def handle_set_has_required_score_states(self, arg0):
7097 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
7098 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
7100 def do_get_interactions(self):
7101 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
7102 return _IMP_kernel.OptimizerState_do_get_interactions(self)
7105 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
7107 r"""Proxy of C++ IMP::Refiner class."""
7109 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7111 def __init__(self, *args):
7112 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
7113 if self.__class__ == Refiner:
7117 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
7119 if self.__class__ != Refiner:
7120 _director_objects.register(self)
7125 def get_can_refine(self, arg0):
7126 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
7127 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
7129 def get_refined_indexes(self, m, pi):
7130 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
7131 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
7133 def get_refined_indexes_by_ref(self, m, pi):
7134 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7135 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
7137 def get_is_by_ref_supported(self):
7138 r"""get_is_by_ref_supported(Refiner self) -> bool"""
7139 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
7141 def get_refined(self, *args):
7143 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
7144 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
7146 return _IMP_kernel.Refiner_get_refined(self, *args)
7148 def get_number_of_refined(self, a):
7149 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
7150 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
7153 r"""__str__(Refiner self) -> std::string"""
7154 return _IMP_kernel.Refiner___str__(self)
7157 r"""__repr__(Refiner self) -> std::string"""
7158 return _IMP_kernel.Refiner___repr__(self)
7162 return _object_cast_to_Refiner(o)
7165 def do_show(self, out):
7170 return _object_cast_to_Refiner(o)
7172 __swig_destroy__ = _IMP_kernel.delete_Refiner
7173 def __disown__(self):
7175 _IMP_kernel.disown_Refiner(self)
7176 return weakref.proxy(self)
7178 def do_get_inputs(self, m, pis):
7179 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7180 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
7183 r"""do_destroy(Refiner self)"""
7184 return _IMP_kernel.Refiner_do_destroy(self)
7187 _IMP_kernel.Refiner_swigregister(Refiner)
7189 r"""Proxy of C++ IMP::Optimizer class."""
7191 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7193 def set_is_optimizing_states(self, tf):
7194 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
7195 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
7197 def get_optimizer_state_inputs(self):
7198 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7199 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
7201 def do_get_inputs(self):
7202 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7203 return _IMP_kernel.Optimizer_do_get_inputs(self)
7205 def do_get_outputs(self):
7206 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7207 return _IMP_kernel.Optimizer_do_get_outputs(self)
7209 def __init__(self, *args):
7211 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
7212 __init__(Optimizer self) -> Optimizer
7214 if self.__class__ == Optimizer:
7218 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
7220 if self.__class__ != Optimizer:
7221 _director_objects.register(self)
7226 def optimize(self, max_steps):
7227 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
7228 return _IMP_kernel.Optimizer_optimize(self, max_steps)
7230 def set_stop_on_good_score(self, tf):
7231 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
7232 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
7234 def get_stop_on_good_score(self):
7235 r"""get_stop_on_good_score(Optimizer self) -> bool"""
7236 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
7238 def get_last_score(self):
7239 r"""get_last_score(Optimizer self) -> double"""
7240 return _IMP_kernel.Optimizer_get_last_score(self)
7242 def get_scoring_function(self):
7243 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
7244 return _IMP_kernel.Optimizer_get_scoring_function(self)
7245 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)
7246 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
7247 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
7248 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
7250 def remove_optimizer_state(self, d):
7251 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
7252 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
7254 def _python_index_optimizer_state(self, d, start, stop):
7255 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
7256 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
7258 def remove_optimizer_states(self, d):
7259 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
7260 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
7262 def set_optimizer_states(self, ps):
7263 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
7264 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
7266 def set_optimizer_states_order(self, objs):
7267 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
7268 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
7270 def add_optimizer_state(self, obj):
7271 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
7272 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
7274 def add_optimizer_states(self, objs):
7275 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
7276 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
7278 def clear_optimizer_states(self):
7279 r"""clear_optimizer_states(Optimizer self)"""
7280 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
7282 def get_number_of_optimizer_states(self):
7283 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
7284 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
7286 def get_has_optimizer_states(self):
7287 r"""get_has_optimizer_states(Optimizer self) -> bool"""
7288 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
7290 def get_optimizer_state(self, i):
7291 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
7292 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
7294 def get_optimizer_states(self):
7295 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
7296 return _IMP_kernel.Optimizer_get_optimizer_states(self)
7298 def erase_optimizer_state(self, i):
7299 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
7300 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
7302 def reserve_optimizer_states(self, sz):
7303 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
7304 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
7306 def set_scoring_function(self, sf):
7307 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
7308 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
7309 __swig_destroy__ = _IMP_kernel.delete_Optimizer
7311 r"""__del__(Optimizer self)"""
7313 _director_objects.cleanup()
7319 def do_optimize(self, ns):
7320 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
7321 return _IMP_kernel.Optimizer_do_optimize(self, ns)
7323 def update_states(self):
7324 r"""update_states(Optimizer self)"""
7325 return _IMP_kernel.Optimizer_update_states(self)
7328 r"""__str__(Optimizer self) -> std::string"""
7329 return _IMP_kernel.Optimizer___str__(self)
7332 r"""__repr__(Optimizer self) -> std::string"""
7333 return _IMP_kernel.Optimizer___repr__(self)
7337 return _object_cast_to_Optimizer(o)
7340 def do_show(self, out):
7345 return _object_cast_to_Optimizer(o)
7347 def __disown__(self):
7349 _IMP_kernel.disown_Optimizer(self)
7350 return weakref.proxy(self)
7353 r"""do_destroy(Optimizer self)"""
7354 return _IMP_kernel.Optimizer_do_destroy(self)
7356 def handle_set_has_required_score_states(self, arg0):
7357 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
7358 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
7360 def do_get_interactions(self):
7361 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
7362 return _IMP_kernel.Optimizer_do_get_interactions(self)
7365 _IMP_kernel.Optimizer_swigregister(Optimizer)
7367 r"""Proxy of C++ IMP::AttributeOptimizer class."""
7369 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7371 def __init__(self, *args):
7373 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
7374 __init__(AttributeOptimizer self) -> AttributeOptimizer
7376 if self.__class__ == AttributeOptimizer:
7380 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
7382 if self.__class__ != AttributeOptimizer:
7383 _director_objects.register(self)
7388 def get_optimized_attributes(self):
7389 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
7390 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
7392 def set_value(self, fi, v):
7393 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
7394 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
7396 def get_value(self, fi):
7397 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7398 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
7400 def get_derivative(self, fi):
7401 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7402 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
7404 def get_width(self, k):
7405 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
7406 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
7408 def set_scaled_value(self, fi, v):
7409 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
7410 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
7412 def get_scaled_value(self, fi):
7413 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
7414 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
7416 def get_scaled_derivative(self, fi):
7417 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
7418 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
7420 def clear_range_cache(self):
7421 r"""clear_range_cache(AttributeOptimizer self)"""
7422 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
7425 r"""__str__(AttributeOptimizer self) -> std::string"""
7426 return _IMP_kernel.AttributeOptimizer___str__(self)
7429 r"""__repr__(AttributeOptimizer self) -> std::string"""
7430 return _IMP_kernel.AttributeOptimizer___repr__(self)
7434 return _object_cast_to_AttributeOptimizer(o)
7437 def do_show(self, out):
7442 return _object_cast_to_AttributeOptimizer(o)
7444 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
7445 def __disown__(self):
7447 _IMP_kernel.disown_AttributeOptimizer(self)
7448 return weakref.proxy(self)
7451 r"""do_destroy(AttributeOptimizer self)"""
7452 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
7454 def handle_set_has_required_score_states(self, arg0):
7455 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
7456 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
7458 def do_get_inputs(self):
7459 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7460 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
7462 def do_get_outputs(self):
7463 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7464 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
7466 def do_get_interactions(self):
7467 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
7468 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
7470 def do_optimize(self, ns):
7471 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
7472 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
7475 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
7477 r"""Proxy of C++ IMP::ConfigurationSet class."""
7479 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7481 def __init__(self, *args):
7482 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
7483 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
7485 def save_configuration(self):
7486 r"""save_configuration(ConfigurationSet self)"""
7487 return _IMP_kernel.ConfigurationSet_save_configuration(self)
7489 def get_number_of_configurations(self):
7490 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
7491 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
7493 def load_configuration(self, i):
7494 r"""load_configuration(ConfigurationSet self, int i)"""
7495 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
7497 def remove_configuration(self, i):
7498 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
7499 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
7501 def get_model(self):
7502 r"""get_model(ConfigurationSet self) -> Model"""
7503 return _IMP_kernel.ConfigurationSet_get_model(self)
7506 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
7507 return _IMP_kernel.ConfigurationSet_get_version_info(self)
7508 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
7511 r"""__str__(ConfigurationSet self) -> std::string"""
7512 return _IMP_kernel.ConfigurationSet___str__(self)
7515 r"""__repr__(ConfigurationSet self) -> std::string"""
7516 return _IMP_kernel.ConfigurationSet___repr__(self)
7520 return _object_cast_to_ConfigurationSet(o)
7524 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
7526 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
7528 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7530 def __init__(self, cs):
7531 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
7532 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
7535 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
7536 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
7537 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
7540 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7541 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
7544 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7545 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
7549 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
7553 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
7555 r"""Proxy of C++ IMP::Configuration class."""
7557 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7559 def __init__(self, *args):
7561 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
7562 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
7564 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
7566 def load_configuration(self):
7567 r"""load_configuration(Configuration self)"""
7568 return _IMP_kernel.Configuration_load_configuration(self)
7570 def swap_configuration(self):
7571 r"""swap_configuration(Configuration self)"""
7572 return _IMP_kernel.Configuration_swap_configuration(self)
7575 r"""get_version_info(Configuration self) -> VersionInfo"""
7576 return _IMP_kernel.Configuration_get_version_info(self)
7577 __swig_destroy__ = _IMP_kernel.delete_Configuration
7580 r"""__str__(Configuration self) -> std::string"""
7581 return _IMP_kernel.Configuration___str__(self)
7584 r"""__repr__(Configuration self) -> std::string"""
7585 return _IMP_kernel.Configuration___repr__(self)
7589 return _object_cast_to_Configuration(o)
7593 _IMP_kernel.Configuration_swigregister(Configuration)
7595 r"""Proxy of C++ IMP::Sampler class."""
7597 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7599 def __init__(self, *args):
7600 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
7601 if self.__class__ == Sampler:
7605 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
7607 if self.__class__ != Sampler:
7608 _director_objects.register(self)
7613 def create_sample(self):
7614 r"""create_sample(Sampler self) -> ConfigurationSet"""
7615 return _IMP_kernel.Sampler_create_sample(self)
7617 def get_scoring_function(self):
7618 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
7619 return _IMP_kernel.Sampler_get_scoring_function(self)
7621 def set_scoring_function(self, sf):
7622 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
7623 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
7625 def get_model(self):
7626 r"""get_model(Sampler self) -> Model"""
7627 return _IMP_kernel.Sampler_get_model(self)
7629 def do_sample(self):
7630 r"""do_sample(Sampler self) -> ConfigurationSet"""
7631 return _IMP_kernel.Sampler_do_sample(self)
7632 __swig_destroy__ = _IMP_kernel.delete_Sampler
7635 r"""__str__(Sampler self) -> std::string"""
7636 return _IMP_kernel.Sampler___str__(self)
7639 r"""__repr__(Sampler self) -> std::string"""
7640 return _IMP_kernel.Sampler___repr__(self)
7644 return _object_cast_to_Sampler(o)
7647 def do_show(self, out):
7652 return _object_cast_to_Sampler(o)
7654 def __disown__(self):
7656 _IMP_kernel.disown_Sampler(self)
7657 return weakref.proxy(self)
7660 r"""do_destroy(Sampler self)"""
7661 return _IMP_kernel.Sampler_do_destroy(self)
7664 _IMP_kernel.Sampler_swigregister(Sampler)
7666 r"""Proxy of C++ IMP::PairModifier class."""
7668 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7670 def __init__(self, *args):
7671 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
7672 if self.__class__ == PairModifier:
7676 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
7678 if self.__class__ != PairModifier:
7679 _director_objects.register(self)
7684 def apply_index(self, m, v):
7685 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
7686 return _IMP_kernel.PairModifier_apply_index(self, m, v)
7688 def apply_indexes(self, m, o, lower_bound, upper_bound):
7689 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7690 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7692 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7693 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)"""
7694 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7697 r"""__str__(PairModifier self) -> std::string"""
7698 return _IMP_kernel.PairModifier___str__(self)
7701 r"""__repr__(PairModifier self) -> std::string"""
7702 return _IMP_kernel.PairModifier___repr__(self)
7706 return _object_cast_to_PairModifier(o)
7709 def do_show(self, out):
7714 return _object_cast_to_PairModifier(o)
7716 __swig_destroy__ = _IMP_kernel.delete_PairModifier
7717 def __disown__(self):
7719 _IMP_kernel.disown_PairModifier(self)
7720 return weakref.proxy(self)
7722 def do_get_inputs(self, m, pis):
7723 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7724 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
7726 def do_get_outputs(self, m, pis):
7727 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7728 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
7731 r"""do_destroy(PairModifier self)"""
7732 return _IMP_kernel.PairModifier_do_destroy(self)
7735 _IMP_kernel.PairModifier_swigregister(PairModifier)
7737 r"""Proxy of C++ IMP::PairScore class."""
7739 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7741 def __init__(self, *args):
7742 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
7743 if self.__class__ == PairScore:
7747 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
7749 if self.__class__ != PairScore:
7750 _director_objects.register(self)
7755 def evaluate_index(self, m, vt, da):
7756 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
7757 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
7759 def check_indexes(self, m, pis):
7760 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7761 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
7763 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7764 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"""
7765 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7767 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7768 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"""
7769 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7771 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7772 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"""
7773 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7775 def evaluate_if_good_index(self, m, vt, da, max):
7776 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
7777 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
7779 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7780 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"""
7781 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7783 def create_current_decomposition(self, m, vt):
7784 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7785 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
7787 def do_create_current_decomposition(self, m, vt):
7788 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7789 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
7790 __swig_destroy__ = _IMP_kernel.delete_PairScore
7793 r"""__str__(PairScore self) -> std::string"""
7794 return _IMP_kernel.PairScore___str__(self)
7797 r"""__repr__(PairScore self) -> std::string"""
7798 return _IMP_kernel.PairScore___repr__(self)
7802 return _object_cast_to_PairScore(o)
7805 def do_show(self, out):
7810 return _object_cast_to_PairScore(o)
7813 def _wrap_jax(self, m, score_func, keys=None):
7814 """Create the return value for _get_jax.
7815 Use this method in _get_jax() to wrap the JAX scoring function
7816 with other score-specific information.
7818 @param m The IMP.Model that the score will act on.
7819 @param score_func A function implemented using JAX that takes
7820 one argument (the current JAX Model) and returns the total
7822 @param keys Model attributes used by the PairScore.
7823 See IMP::Restraint::_wrap_jax.
7825 from IMP._jax_util
import JAXScoreInfo
7826 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7828 def _get_jax(self, m, indexes):
7829 """Return a JAX implementation of this PairScore.
7830 Implement this method in a PairScore subclass to provide
7831 an equivalent function using [JAX](https://docs.jax.dev/)
7832 that scores the current JAX Model with a given set of
7833 ParticlePairIndexes. See also _wrap_jax.
7835 @param m The IMP.Model that the score will act on.
7836 @param indexes The ParticlePairIndexes that the score will act on.
7838 raise NotImplementedError(
7839 f
"No JAX implementation for {self} ({type(self)})")
7841 def __disown__(self):
7843 _IMP_kernel.disown_PairScore(self)
7844 return weakref.proxy(self)
7846 def do_get_inputs(self, m, pis):
7847 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7848 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
7851 r"""do_destroy(PairScore self)"""
7852 return _IMP_kernel.PairScore_do_destroy(self)
7855 _IMP_kernel.PairScore_swigregister(PairScore)
7857 r"""Proxy of C++ IMP::PairPredicate class."""
7859 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7861 def __init__(self, *args):
7862 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
7863 if self.__class__ == PairPredicate:
7867 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
7869 if self.__class__ != PairPredicate:
7870 _director_objects.register(self)
7875 def setup_for_get_value_index_in_batch(self, arg0):
7876 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
7877 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
7879 def get_value_index_in_batch(self, m, vt):
7880 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7881 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
7883 def __call__(self, m, vt):
7884 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7885 return _IMP_kernel.PairPredicate___call__(self, m, vt)
7887 def get_value_index(self, *args):
7889 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
7890 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7892 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
7893 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
7896 r"""__str__(PairPredicate self) -> std::string"""
7897 return _IMP_kernel.PairPredicate___str__(self)
7900 r"""__repr__(PairPredicate self) -> std::string"""
7901 return _IMP_kernel.PairPredicate___repr__(self)
7905 return _object_cast_to_PairPredicate(o)
7908 def do_show(self, out):
7913 return _object_cast_to_PairPredicate(o)
7915 def __disown__(self):
7917 _IMP_kernel.disown_PairPredicate(self)
7918 return weakref.proxy(self)
7920 def do_get_inputs(self, m, pis):
7921 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7922 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
7925 r"""do_destroy(PairPredicate self)"""
7926 return _IMP_kernel.PairPredicate_do_destroy(self)
7929 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
7931 r"""Proxy of C++ IMP::PairContainer class."""
7933 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7935 def apply_generic(self, m):
7936 r"""apply_generic(PairContainer self, PairModifier m)"""
7937 return _IMP_kernel.PairContainer_apply_generic(self, m)
7939 def apply_generic_moved(self, m, moved_pis, reset_pis):
7940 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7941 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7943 def apply(self, sm):
7944 r"""apply(PairContainer self, PairModifier sm)"""
7945 return _IMP_kernel.PairContainer_apply(self, sm)
7947 def apply_moved(self, sm, moved_pis, reset_pis):
7948 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7949 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
7951 def get_range_indexes(self):
7952 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7953 return _IMP_kernel.PairContainer_get_range_indexes(self)
7955 def get_contents(self):
7956 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
7957 return _IMP_kernel.PairContainer_get_contents(self)
7960 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7961 return _IMP_kernel.PairContainer_get_indexes(self)
7963 def get(self, *args):
7965 get(PairContainer self) -> IMP::ParticlePairsTemp
7966 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
7968 return _IMP_kernel.PairContainer_get(self, *args)
7970 def get_number(self):
7971 r"""get_number(PairContainer self) -> unsigned int"""
7972 return _IMP_kernel.PairContainer_get_number(self)
7974 def __init__(self, *args):
7976 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
7977 __init__(PairContainer self) -> PairContainer
7979 if self.__class__ == PairContainer:
7983 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
7985 if self.__class__ != PairContainer:
7986 _director_objects.register(self)
7991 def do_apply(self, sm):
7992 r"""do_apply(PairContainer self, PairModifier sm)"""
7993 return _IMP_kernel.PairContainer_do_apply(self, sm)
7995 def do_apply_moved(self, sm, moved_pis, reset_pis):
7996 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7997 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7999 def do_get_provides_access(self):
8000 r"""do_get_provides_access(PairContainer self) -> bool"""
8001 return _IMP_kernel.PairContainer_do_get_provides_access(self)
8002 __swig_destroy__ = _IMP_kernel.delete_PairContainer
8005 r"""__str__(PairContainer self) -> std::string"""
8006 return _IMP_kernel.PairContainer___str__(self)
8009 r"""__repr__(PairContainer self) -> std::string"""
8010 return _IMP_kernel.PairContainer___repr__(self)
8014 return _object_cast_to_PairContainer(o)
8017 def do_show(self, out):
8022 return _object_cast_to_PairContainer(o)
8024 def __disown__(self):
8026 _IMP_kernel.disown_PairContainer(self)
8027 return weakref.proxy(self)
8030 r"""do_destroy(PairContainer self)"""
8031 return _IMP_kernel.PairContainer_do_destroy(self)
8033 def handle_set_has_required_score_states(self, arg0):
8034 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
8035 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
8037 def do_get_inputs(self):
8038 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
8039 return _IMP_kernel.PairContainer_do_get_inputs(self)
8041 def do_get_interactions(self):
8042 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
8043 return _IMP_kernel.PairContainer_do_get_interactions(self)
8045 def do_get_contents_hash(self):
8046 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
8047 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
8050 _IMP_kernel.PairContainer_swigregister(PairContainer)
8051 class _PairContainerAdaptor(_InputAdaptor):
8052 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
8054 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8055 __repr__ = _swig_repr
8057 def __init__(self, *args):
8059 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
8060 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
8061 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
8063 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
8065 def set_name_if_default(self, name):
8066 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
8067 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
8068 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
8071 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
8073 r"""Proxy of C++ IMP::QuadModifier class."""
8075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8077 def __init__(self, *args):
8078 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
8079 if self.__class__ == QuadModifier:
8083 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
8085 if self.__class__ != QuadModifier:
8086 _director_objects.register(self)
8091 def apply_index(self, m, v):
8092 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
8093 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
8095 def apply_indexes(self, m, o, lower_bound, upper_bound):
8096 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8097 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8099 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8100 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)"""
8101 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8104 r"""__str__(QuadModifier self) -> std::string"""
8105 return _IMP_kernel.QuadModifier___str__(self)
8108 r"""__repr__(QuadModifier self) -> std::string"""
8109 return _IMP_kernel.QuadModifier___repr__(self)
8113 return _object_cast_to_QuadModifier(o)
8116 def do_show(self, out):
8121 return _object_cast_to_QuadModifier(o)
8123 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
8124 def __disown__(self):
8126 _IMP_kernel.disown_QuadModifier(self)
8127 return weakref.proxy(self)
8129 def do_get_inputs(self, m, pis):
8130 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8131 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
8133 def do_get_outputs(self, m, pis):
8134 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8135 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
8138 r"""do_destroy(QuadModifier self)"""
8139 return _IMP_kernel.QuadModifier_do_destroy(self)
8142 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
8144 r"""Proxy of C++ IMP::QuadScore class."""
8146 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8148 def __init__(self, *args):
8149 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
8150 if self.__class__ == QuadScore:
8154 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
8156 if self.__class__ != QuadScore:
8157 _director_objects.register(self)
8162 def evaluate_index(self, m, vt, da):
8163 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
8164 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
8166 def check_indexes(self, m, pis):
8167 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8168 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
8170 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8171 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"""
8172 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8174 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8175 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"""
8176 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8178 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8179 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"""
8180 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8182 def evaluate_if_good_index(self, m, vt, da, max):
8183 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
8184 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
8186 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8187 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"""
8188 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8190 def create_current_decomposition(self, m, vt):
8191 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8192 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
8194 def do_create_current_decomposition(self, m, vt):
8195 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8196 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
8197 __swig_destroy__ = _IMP_kernel.delete_QuadScore
8200 r"""__str__(QuadScore self) -> std::string"""
8201 return _IMP_kernel.QuadScore___str__(self)
8204 r"""__repr__(QuadScore self) -> std::string"""
8205 return _IMP_kernel.QuadScore___repr__(self)
8209 return _object_cast_to_QuadScore(o)
8212 def do_show(self, out):
8217 return _object_cast_to_QuadScore(o)
8219 def __disown__(self):
8221 _IMP_kernel.disown_QuadScore(self)
8222 return weakref.proxy(self)
8224 def do_get_inputs(self, m, pis):
8225 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8226 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
8229 r"""do_destroy(QuadScore self)"""
8230 return _IMP_kernel.QuadScore_do_destroy(self)
8233 _IMP_kernel.QuadScore_swigregister(QuadScore)
8235 r"""Proxy of C++ IMP::QuadPredicate class."""
8237 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8239 def __init__(self, *args):
8240 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
8241 if self.__class__ == QuadPredicate:
8245 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
8247 if self.__class__ != QuadPredicate:
8248 _director_objects.register(self)
8253 def setup_for_get_value_index_in_batch(self, arg0):
8254 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
8255 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
8257 def get_value_index_in_batch(self, m, vt):
8258 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8259 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
8261 def __call__(self, m, vt):
8262 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8263 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
8265 def get_value_index(self, *args):
8267 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
8268 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
8270 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
8271 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
8274 r"""__str__(QuadPredicate self) -> std::string"""
8275 return _IMP_kernel.QuadPredicate___str__(self)
8278 r"""__repr__(QuadPredicate self) -> std::string"""
8279 return _IMP_kernel.QuadPredicate___repr__(self)
8283 return _object_cast_to_QuadPredicate(o)
8286 def do_show(self, out):
8291 return _object_cast_to_QuadPredicate(o)
8293 def __disown__(self):
8295 _IMP_kernel.disown_QuadPredicate(self)
8296 return weakref.proxy(self)
8298 def do_get_inputs(self, m, pis):
8299 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8300 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
8303 r"""do_destroy(QuadPredicate self)"""
8304 return _IMP_kernel.QuadPredicate_do_destroy(self)
8307 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
8309 r"""Proxy of C++ IMP::QuadContainer class."""
8311 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8313 def apply_generic(self, m):
8314 r"""apply_generic(QuadContainer self, QuadModifier m)"""
8315 return _IMP_kernel.QuadContainer_apply_generic(self, m)
8317 def apply_generic_moved(self, m, moved_pis, reset_pis):
8318 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8319 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8321 def apply(self, sm):
8322 r"""apply(QuadContainer self, QuadModifier sm)"""
8323 return _IMP_kernel.QuadContainer_apply(self, sm)
8325 def apply_moved(self, sm, moved_pis, reset_pis):
8326 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8327 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
8329 def get_range_indexes(self):
8330 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8331 return _IMP_kernel.QuadContainer_get_range_indexes(self)
8333 def get_contents(self):
8334 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
8335 return _IMP_kernel.QuadContainer_get_contents(self)
8338 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8339 return _IMP_kernel.QuadContainer_get_indexes(self)
8341 def get(self, *args):
8343 get(QuadContainer self) -> IMP::ParticleQuadsTemp
8344 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
8346 return _IMP_kernel.QuadContainer_get(self, *args)
8348 def get_number(self):
8349 r"""get_number(QuadContainer self) -> unsigned int"""
8350 return _IMP_kernel.QuadContainer_get_number(self)
8352 def __init__(self, *args):
8354 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
8355 __init__(QuadContainer self) -> QuadContainer
8357 if self.__class__ == QuadContainer:
8361 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
8363 if self.__class__ != QuadContainer:
8364 _director_objects.register(self)
8369 def do_apply(self, sm):
8370 r"""do_apply(QuadContainer self, QuadModifier sm)"""
8371 return _IMP_kernel.QuadContainer_do_apply(self, sm)
8373 def do_apply_moved(self, sm, moved_pis, reset_pis):
8374 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8375 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8377 def do_get_provides_access(self):
8378 r"""do_get_provides_access(QuadContainer self) -> bool"""
8379 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
8380 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
8383 r"""__str__(QuadContainer self) -> std::string"""
8384 return _IMP_kernel.QuadContainer___str__(self)
8387 r"""__repr__(QuadContainer self) -> std::string"""
8388 return _IMP_kernel.QuadContainer___repr__(self)
8392 return _object_cast_to_QuadContainer(o)
8395 def do_show(self, out):
8400 return _object_cast_to_QuadContainer(o)
8402 def __disown__(self):
8404 _IMP_kernel.disown_QuadContainer(self)
8405 return weakref.proxy(self)
8408 r"""do_destroy(QuadContainer self)"""
8409 return _IMP_kernel.QuadContainer_do_destroy(self)
8411 def handle_set_has_required_score_states(self, arg0):
8412 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
8413 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
8415 def do_get_inputs(self):
8416 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
8417 return _IMP_kernel.QuadContainer_do_get_inputs(self)
8419 def do_get_interactions(self):
8420 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
8421 return _IMP_kernel.QuadContainer_do_get_interactions(self)
8423 def do_get_contents_hash(self):
8424 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
8425 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
8428 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
8429 class _QuadContainerAdaptor(_InputAdaptor):
8430 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
8432 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8433 __repr__ = _swig_repr
8435 def __init__(self, *args):
8437 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
8438 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
8439 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
8441 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
8443 def set_name_if_default(self, name):
8444 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
8445 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
8446 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
8449 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
8451 r"""Proxy of C++ IMP::SingletonModifier class."""
8453 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8455 def __init__(self, *args):
8456 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
8457 if self.__class__ == SingletonModifier:
8461 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
8463 if self.__class__ != SingletonModifier:
8464 _director_objects.register(self)
8469 def apply_index(self, m, v):
8470 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
8471 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
8473 def apply_indexes(self, m, o, lower_bound, upper_bound):
8474 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8475 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8477 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8478 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)"""
8479 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8482 r"""__str__(SingletonModifier self) -> std::string"""
8483 return _IMP_kernel.SingletonModifier___str__(self)
8486 r"""__repr__(SingletonModifier self) -> std::string"""
8487 return _IMP_kernel.SingletonModifier___repr__(self)
8491 return _object_cast_to_SingletonModifier(o)
8494 def do_show(self, out):
8499 return _object_cast_to_SingletonModifier(o)
8502 def _wrap_jax(self, apply_func, keys=None):
8503 """Create the return value for _get_jax.
8504 Use this method in _get_jax() to wrap the JAX function
8505 with other modifier-specific information.
8507 @param apply_func A function implemented using JAX that takes
8508 one argument (the current JAX Model) and returns a new
8510 @param keys Model attributes used by the SingletonModifier.
8511 See IMP::Restraint::_wrap_jax.
8513 from IMP._jax_util
import JAXModifierInfo
8514 return JAXModifierInfo(apply_func=apply_func, keys=keys)
8516 def _get_jax(self, m, indexes):
8517 """Return a JAX implementation of this SingletonModifier.
8518 Implement this method in a SingletonModifier subclass to provide
8519 an equivalent function using [JAX](https://docs.jax.dev/)
8520 that modifies the current JAX Model. See also _wrap_jax.
8522 @param m The IMP.Model that the modifier will act on.
8523 @param indexes The ParticleIndexes that the modifier will act on.
8525 raise NotImplementedError(
8526 f
"No JAX implementation for {self} ({type(self)})")
8528 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
8529 def __disown__(self):
8531 _IMP_kernel.disown_SingletonModifier(self)
8532 return weakref.proxy(self)
8534 def do_get_inputs(self, m, pis):
8535 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8536 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
8538 def do_get_outputs(self, m, pis):
8539 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8540 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
8543 r"""do_destroy(SingletonModifier self)"""
8544 return _IMP_kernel.SingletonModifier_do_destroy(self)
8547 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
8549 r"""Proxy of C++ IMP::SingletonScore class."""
8551 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8553 def __init__(self, *args):
8554 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
8555 if self.__class__ == SingletonScore:
8559 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
8561 if self.__class__ != SingletonScore:
8562 _director_objects.register(self)
8567 def evaluate_index(self, m, vt, da):
8568 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
8569 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
8571 def check_indexes(self, m, pis):
8572 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8573 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
8575 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8576 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"""
8577 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8579 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8580 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"""
8581 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8583 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8584 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"""
8585 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8587 def evaluate_if_good_index(self, m, vt, da, max):
8588 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
8589 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
8591 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8592 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"""
8593 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8595 def create_current_decomposition(self, m, vt):
8596 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8597 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
8599 def do_create_current_decomposition(self, m, vt):
8600 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8601 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
8602 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
8605 r"""__str__(SingletonScore self) -> std::string"""
8606 return _IMP_kernel.SingletonScore___str__(self)
8609 r"""__repr__(SingletonScore self) -> std::string"""
8610 return _IMP_kernel.SingletonScore___repr__(self)
8614 return _object_cast_to_SingletonScore(o)
8617 def do_show(self, out):
8622 return _object_cast_to_SingletonScore(o)
8625 def _wrap_jax(self, m, score_func, keys=None):
8626 """See IMP::PairScore::_wrap_jax"""
8627 from IMP._jax_util
import JAXScoreInfo
8628 return JAXScoreInfo(m, score_func=score_func, keys=keys)
8630 def _get_jax(self, m, indexes):
8631 """See IMP::PairScore::_get_jax"""
8632 raise NotImplementedError(
8633 f
"No JAX implementation for {self} ({type(self)})")
8635 def __disown__(self):
8637 _IMP_kernel.disown_SingletonScore(self)
8638 return weakref.proxy(self)
8640 def do_get_inputs(self, m, pis):
8641 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8642 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
8645 r"""do_destroy(SingletonScore self)"""
8646 return _IMP_kernel.SingletonScore_do_destroy(self)
8649 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
8651 r"""Proxy of C++ IMP::SingletonPredicate class."""
8653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8655 def __init__(self, *args):
8656 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
8657 if self.__class__ == SingletonPredicate:
8661 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
8663 if self.__class__ != SingletonPredicate:
8664 _director_objects.register(self)
8669 def setup_for_get_value_index_in_batch(self, arg0):
8670 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
8671 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
8673 def get_value_index_in_batch(self, m, vt):
8674 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8675 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
8677 def __call__(self, m, vt):
8678 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8679 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
8681 def get_value_index(self, *args):
8683 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
8684 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
8686 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
8687 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
8690 r"""__str__(SingletonPredicate self) -> std::string"""
8691 return _IMP_kernel.SingletonPredicate___str__(self)
8694 r"""__repr__(SingletonPredicate self) -> std::string"""
8695 return _IMP_kernel.SingletonPredicate___repr__(self)
8699 return _object_cast_to_SingletonPredicate(o)
8702 def do_show(self, out):
8707 return _object_cast_to_SingletonPredicate(o)
8709 def __disown__(self):
8711 _IMP_kernel.disown_SingletonPredicate(self)
8712 return weakref.proxy(self)
8714 def do_get_inputs(self, m, pis):
8715 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8716 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
8719 r"""do_destroy(SingletonPredicate self)"""
8720 return _IMP_kernel.SingletonPredicate_do_destroy(self)
8723 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
8725 r"""Proxy of C++ IMP::SingletonContainer class."""
8727 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8729 def apply_generic(self, m):
8730 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
8731 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
8733 def apply_generic_moved(self, m, moved_pis, reset_pis):
8734 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8735 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8737 def apply(self, sm):
8738 r"""apply(SingletonContainer self, SingletonModifier sm)"""
8739 return _IMP_kernel.SingletonContainer_apply(self, sm)
8741 def apply_moved(self, sm, moved_pis, reset_pis):
8742 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8743 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
8745 def get_range_indexes(self):
8746 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8747 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
8749 def get_contents(self):
8750 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
8751 return _IMP_kernel.SingletonContainer_get_contents(self)
8754 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8755 return _IMP_kernel.SingletonContainer_get_indexes(self)
8757 def get(self, *args):
8759 get(SingletonContainer self) -> IMP::ParticlesTemp
8760 get(SingletonContainer self, unsigned int i) -> Particle
8762 return _IMP_kernel.SingletonContainer_get(self, *args)
8764 def get_number(self):
8765 r"""get_number(SingletonContainer self) -> unsigned int"""
8766 return _IMP_kernel.SingletonContainer_get_number(self)
8768 def __init__(self, *args):
8770 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
8771 __init__(SingletonContainer self) -> SingletonContainer
8773 if self.__class__ == SingletonContainer:
8777 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
8779 if self.__class__ != SingletonContainer:
8780 _director_objects.register(self)
8785 def do_apply(self, sm):
8786 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
8787 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
8789 def do_apply_moved(self, sm, moved_pis, reset_pis):
8790 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8791 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8793 def do_get_provides_access(self):
8794 r"""do_get_provides_access(SingletonContainer self) -> bool"""
8795 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
8796 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
8799 r"""__str__(SingletonContainer self) -> std::string"""
8800 return _IMP_kernel.SingletonContainer___str__(self)
8803 r"""__repr__(SingletonContainer self) -> std::string"""
8804 return _IMP_kernel.SingletonContainer___repr__(self)
8808 return _object_cast_to_SingletonContainer(o)
8811 def do_show(self, out):
8816 return _object_cast_to_SingletonContainer(o)
8818 def __disown__(self):
8820 _IMP_kernel.disown_SingletonContainer(self)
8821 return weakref.proxy(self)
8824 r"""do_destroy(SingletonContainer self)"""
8825 return _IMP_kernel.SingletonContainer_do_destroy(self)
8827 def handle_set_has_required_score_states(self, arg0):
8828 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
8829 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
8831 def do_get_inputs(self):
8832 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
8833 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
8835 def do_get_interactions(self):
8836 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
8837 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
8839 def do_get_contents_hash(self):
8840 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
8841 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
8844 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
8845 class _SingletonContainerAdaptor(_InputAdaptor):
8846 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
8848 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8849 __repr__ = _swig_repr
8851 def __init__(self, *args):
8853 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
8854 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
8855 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
8857 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
8859 def set_name_if_default(self, name):
8860 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
8861 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
8862 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
8865 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
8867 r"""Proxy of C++ IMP::TripletModifier class."""
8869 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8871 def __init__(self, *args):
8872 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
8873 if self.__class__ == TripletModifier:
8877 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
8879 if self.__class__ != TripletModifier:
8880 _director_objects.register(self)
8885 def apply_index(self, m, v):
8886 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
8887 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
8889 def apply_indexes(self, m, o, lower_bound, upper_bound):
8890 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8891 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8893 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8894 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)"""
8895 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8898 r"""__str__(TripletModifier self) -> std::string"""
8899 return _IMP_kernel.TripletModifier___str__(self)
8902 r"""__repr__(TripletModifier self) -> std::string"""
8903 return _IMP_kernel.TripletModifier___repr__(self)
8907 return _object_cast_to_TripletModifier(o)
8910 def do_show(self, out):
8915 return _object_cast_to_TripletModifier(o)
8917 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
8918 def __disown__(self):
8920 _IMP_kernel.disown_TripletModifier(self)
8921 return weakref.proxy(self)
8923 def do_get_inputs(self, m, pis):
8924 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8925 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
8927 def do_get_outputs(self, m, pis):
8928 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8929 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
8932 r"""do_destroy(TripletModifier self)"""
8933 return _IMP_kernel.TripletModifier_do_destroy(self)
8936 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
8938 r"""Proxy of C++ IMP::TripletScore class."""
8940 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8942 def __init__(self, *args):
8943 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
8944 if self.__class__ == TripletScore:
8948 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
8950 if self.__class__ != TripletScore:
8951 _director_objects.register(self)
8956 def evaluate_index(self, m, vt, da):
8957 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
8958 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
8960 def check_indexes(self, m, pis):
8961 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8962 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
8964 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8965 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"""
8966 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8968 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8969 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"""
8970 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8972 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8973 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"""
8974 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8976 def evaluate_if_good_index(self, m, vt, da, max):
8977 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
8978 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
8980 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8981 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"""
8982 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8984 def create_current_decomposition(self, m, vt):
8985 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8986 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
8988 def do_create_current_decomposition(self, m, vt):
8989 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8990 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
8991 __swig_destroy__ = _IMP_kernel.delete_TripletScore
8994 r"""__str__(TripletScore self) -> std::string"""
8995 return _IMP_kernel.TripletScore___str__(self)
8998 r"""__repr__(TripletScore self) -> std::string"""
8999 return _IMP_kernel.TripletScore___repr__(self)
9003 return _object_cast_to_TripletScore(o)
9006 def do_show(self, out):
9011 return _object_cast_to_TripletScore(o)
9013 def __disown__(self):
9015 _IMP_kernel.disown_TripletScore(self)
9016 return weakref.proxy(self)
9018 def do_get_inputs(self, m, pis):
9019 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9020 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
9023 r"""do_destroy(TripletScore self)"""
9024 return _IMP_kernel.TripletScore_do_destroy(self)
9027 _IMP_kernel.TripletScore_swigregister(TripletScore)
9029 r"""Proxy of C++ IMP::TripletPredicate class."""
9031 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9033 def __init__(self, *args):
9034 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
9035 if self.__class__ == TripletPredicate:
9039 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
9041 if self.__class__ != TripletPredicate:
9042 _director_objects.register(self)
9047 def setup_for_get_value_index_in_batch(self, arg0):
9048 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
9049 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
9051 def get_value_index_in_batch(self, m, vt):
9052 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9053 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
9055 def __call__(self, m, vt):
9056 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9057 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
9059 def get_value_index(self, *args):
9061 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
9062 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
9064 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
9065 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
9068 r"""__str__(TripletPredicate self) -> std::string"""
9069 return _IMP_kernel.TripletPredicate___str__(self)
9072 r"""__repr__(TripletPredicate self) -> std::string"""
9073 return _IMP_kernel.TripletPredicate___repr__(self)
9077 return _object_cast_to_TripletPredicate(o)
9080 def do_show(self, out):
9085 return _object_cast_to_TripletPredicate(o)
9087 def __disown__(self):
9089 _IMP_kernel.disown_TripletPredicate(self)
9090 return weakref.proxy(self)
9092 def do_get_inputs(self, m, pis):
9093 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9094 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
9097 r"""do_destroy(TripletPredicate self)"""
9098 return _IMP_kernel.TripletPredicate_do_destroy(self)
9101 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
9103 r"""Proxy of C++ IMP::TripletContainer class."""
9105 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9107 def apply_generic(self, m):
9108 r"""apply_generic(TripletContainer self, TripletModifier m)"""
9109 return _IMP_kernel.TripletContainer_apply_generic(self, m)
9111 def apply_generic_moved(self, m, moved_pis, reset_pis):
9112 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9113 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
9115 def apply(self, sm):
9116 r"""apply(TripletContainer self, TripletModifier sm)"""
9117 return _IMP_kernel.TripletContainer_apply(self, sm)
9119 def apply_moved(self, sm, moved_pis, reset_pis):
9120 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9121 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
9123 def get_range_indexes(self):
9124 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9125 return _IMP_kernel.TripletContainer_get_range_indexes(self)
9127 def get_contents(self):
9128 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
9129 return _IMP_kernel.TripletContainer_get_contents(self)
9132 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9133 return _IMP_kernel.TripletContainer_get_indexes(self)
9135 def get(self, *args):
9137 get(TripletContainer self) -> IMP::ParticleTripletsTemp
9138 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
9140 return _IMP_kernel.TripletContainer_get(self, *args)
9142 def get_number(self):
9143 r"""get_number(TripletContainer self) -> unsigned int"""
9144 return _IMP_kernel.TripletContainer_get_number(self)
9146 def __init__(self, *args):
9148 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
9149 __init__(TripletContainer self) -> TripletContainer
9151 if self.__class__ == TripletContainer:
9155 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
9157 if self.__class__ != TripletContainer:
9158 _director_objects.register(self)
9163 def do_apply(self, sm):
9164 r"""do_apply(TripletContainer self, TripletModifier sm)"""
9165 return _IMP_kernel.TripletContainer_do_apply(self, sm)
9167 def do_apply_moved(self, sm, moved_pis, reset_pis):
9168 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9169 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
9171 def do_get_provides_access(self):
9172 r"""do_get_provides_access(TripletContainer self) -> bool"""
9173 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
9174 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
9177 r"""__str__(TripletContainer self) -> std::string"""
9178 return _IMP_kernel.TripletContainer___str__(self)
9181 r"""__repr__(TripletContainer self) -> std::string"""
9182 return _IMP_kernel.TripletContainer___repr__(self)
9186 return _object_cast_to_TripletContainer(o)
9189 def do_show(self, out):
9194 return _object_cast_to_TripletContainer(o)
9196 def __disown__(self):
9198 _IMP_kernel.disown_TripletContainer(self)
9199 return weakref.proxy(self)
9202 r"""do_destroy(TripletContainer self)"""
9203 return _IMP_kernel.TripletContainer_do_destroy(self)
9205 def handle_set_has_required_score_states(self, arg0):
9206 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
9207 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
9209 def do_get_inputs(self):
9210 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
9211 return _IMP_kernel.TripletContainer_do_get_inputs(self)
9213 def do_get_interactions(self):
9214 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
9215 return _IMP_kernel.TripletContainer_do_get_interactions(self)
9217 def do_get_contents_hash(self):
9218 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
9219 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
9222 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
9223 class _TripletContainerAdaptor(_InputAdaptor):
9224 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
9226 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9227 __repr__ = _swig_repr
9229 def __init__(self, *args):
9231 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
9232 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
9233 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
9235 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
9237 def set_name_if_default(self, name):
9238 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
9239 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
9240 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
9243 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
9246 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
9247 return _IMP_kernel.write_particles_to_buffer(particles, keys)
9250 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
9251 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
9254 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
9255 return _IMP_kernel.get_particles(m, ps)
9259 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
9260 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
9262 return _IMP_kernel.get_indexes(*args)
9263 class _ParticleIndexAdaptor(object):
9264 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
9266 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9267 __repr__ = _swig_repr
9269 def __init__(self, *args):
9271 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
9272 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
9273 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
9275 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
9276 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
9279 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
9280 class _ParticleIndexesAdaptor(_InputAdaptor):
9281 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
9283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9284 __repr__ = _swig_repr
9286 def __init__(self, *args):
9288 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
9289 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
9290 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
9292 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
9293 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
9296 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
9297 class _ParticleIndexPairsAdaptor(object):
9298 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
9300 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9301 __repr__ = _swig_repr
9303 def __init__(self, *args):
9305 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
9306 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
9307 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
9309 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
9310 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
9313 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
9315 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
9317 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9319 def __init__(self, *args):
9321 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
9322 __init__(_ConstRestraint self) -> _ConstRestraint
9324 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
9326 def get_value(self):
9327 r"""get_value(_ConstRestraint self) -> double"""
9328 return _IMP_kernel._ConstRestraint_get_value(self)
9330 def do_create_decomposition(self):
9331 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
9332 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
9334 def do_get_inputs(self):
9335 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
9336 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
9339 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
9340 return _IMP_kernel._ConstRestraint_get_version_info(self)
9341 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
9344 r"""__str__(_ConstRestraint self) -> std::string"""
9345 return _IMP_kernel._ConstRestraint___str__(self)
9348 r"""__repr__(_ConstRestraint self) -> std::string"""
9349 return _IMP_kernel._ConstRestraint___repr__(self)
9353 return _object_cast_to__ConstRestraint(o)
9356 def _get_as_binary(self):
9357 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
9358 return _IMP_kernel._ConstRestraint__get_as_binary(self)
9360 def _set_from_binary(self, p):
9361 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
9362 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
9364 def __getstate__(self):
9365 p = self._get_as_binary()
9366 if len(self.__dict__) > 1:
9367 d = self.__dict__.copy()
9372 def __setstate__(self, p):
9373 if not hasattr(self,
'this'):
9375 if isinstance(p, tuple):
9377 self.__dict__.update(d)
9378 return self._set_from_binary(p)
9382 value = self.get_value()
9384 return self._wrap_jax(
lambda jm: value)
9388 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
9390 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
9392 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9394 def __init__(self, *args):
9396 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
9397 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
9399 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
9401 def get_value(self):
9402 r"""get_value(_ConstSingletonScore self) -> double"""
9403 return _IMP_kernel._ConstSingletonScore_get_value(self)
9405 def do_get_inputs(self, arg2, arg3):
9406 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9407 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
9409 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9410 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"""
9411 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9413 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9414 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"""
9415 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9417 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9418 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"""
9419 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9421 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9422 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"""
9423 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9426 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
9427 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
9428 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
9431 r"""__str__(_ConstSingletonScore self) -> std::string"""
9432 return _IMP_kernel._ConstSingletonScore___str__(self)
9435 r"""__repr__(_ConstSingletonScore self) -> std::string"""
9436 return _IMP_kernel._ConstSingletonScore___repr__(self)
9440 return _object_cast_to__ConstSingletonScore(o)
9443 def _get_as_binary(self):
9444 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
9445 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
9447 def _set_from_binary(self, p):
9448 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
9449 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
9451 def __getstate__(self):
9452 p = self._get_as_binary()
9453 if len(self.__dict__) > 1:
9454 d = self.__dict__.copy()
9459 def __setstate__(self, p):
9460 if not hasattr(self,
'this'):
9462 if isinstance(p, tuple):
9464 self.__dict__.update(d)
9465 return self._set_from_binary(p)
9468 def _get_jax(self, m, indexes):
9469 value = self.get_value()
9471 return self._wrap_jax(m,
lambda jm: value)
9475 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
9477 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
9479 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9481 def __init__(self, *args):
9483 __init__(_ConstPairScore self, double v) -> _ConstPairScore
9484 __init__(_ConstPairScore self) -> _ConstPairScore
9486 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
9488 def get_value(self):
9489 r"""get_value(_ConstPairScore self) -> double"""
9490 return _IMP_kernel._ConstPairScore_get_value(self)
9492 def do_get_inputs(self, arg2, arg3):
9493 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9494 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
9496 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9497 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"""
9498 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9500 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9501 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"""
9502 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9504 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9505 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"""
9506 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9508 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9509 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"""
9510 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9513 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
9514 return _IMP_kernel._ConstPairScore_get_version_info(self)
9515 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
9518 r"""__str__(_ConstPairScore self) -> std::string"""
9519 return _IMP_kernel._ConstPairScore___str__(self)
9522 r"""__repr__(_ConstPairScore self) -> std::string"""
9523 return _IMP_kernel._ConstPairScore___repr__(self)
9527 return _object_cast_to__ConstPairScore(o)
9530 def _get_as_binary(self):
9531 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
9532 return _IMP_kernel._ConstPairScore__get_as_binary(self)
9534 def _set_from_binary(self, p):
9535 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
9536 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
9538 def __getstate__(self):
9539 p = self._get_as_binary()
9540 if len(self.__dict__) > 1:
9541 d = self.__dict__.copy()
9546 def __setstate__(self, p):
9547 if not hasattr(self,
'this'):
9549 if isinstance(p, tuple):
9551 self.__dict__.update(d)
9552 return self._set_from_binary(p)
9555 def _get_jax(self, m, indexes):
9556 value = self.get_value()
9558 return self._wrap_jax(m,
lambda jm: value)
9562 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
9564 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
9566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9568 def __init__(self, *args):
9570 __init__(_TrivialDecorator self) -> _TrivialDecorator
9571 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
9572 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
9574 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
9576 def show(self, *args):
9577 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
9578 return _IMP_kernel._TrivialDecorator_show(self, *args)
9581 def setup_particle(*args):
9583 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
9584 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
9586 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
9589 def get_is_setup(*args):
9591 get_is_setup(_ParticleAdaptor p) -> bool
9592 get_is_setup(Model m, ParticleIndex pi) -> bool
9594 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
9598 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
9599 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9600 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9601 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9602 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9603 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
9604 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9605 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
9606 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9607 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9608 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9609 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9611 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
9613 def get_value(self, *args):
9615 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
9616 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
9617 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
9618 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
9619 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
9620 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
9621 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
9622 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
9623 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
9624 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
9625 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9627 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
9629 def set_value(self, *args):
9631 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9632 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9633 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9634 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9635 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
9636 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9637 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
9638 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9639 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9640 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9641 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9643 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
9647 remove_attribute(_TrivialDecorator self, FloatKey a0)
9648 remove_attribute(_TrivialDecorator self, IntKey a0)
9649 remove_attribute(_TrivialDecorator self, FloatsKey a0)
9650 remove_attribute(_TrivialDecorator self, IntsKey a0)
9651 remove_attribute(_TrivialDecorator self, StringKey a0)
9652 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
9653 remove_attribute(_TrivialDecorator self, ObjectKey a0)
9654 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
9655 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
9656 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
9657 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
9659 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
9661 def has_attribute(self, *args):
9663 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
9664 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
9665 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
9666 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
9667 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
9668 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
9669 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
9670 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
9671 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
9672 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
9673 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
9675 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
9677 def get_derivative(self, a0):
9678 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
9679 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
9682 r"""get_name(_TrivialDecorator self) -> std::string"""
9683 return _IMP_kernel._TrivialDecorator_get_name(self)
9686 r"""clear_caches(_TrivialDecorator self)"""
9687 return _IMP_kernel._TrivialDecorator_clear_caches(self)
9689 def set_name(self, a0):
9690 r"""set_name(_TrivialDecorator self, std::string a0)"""
9691 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
9694 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
9695 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
9697 def add_to_derivative(self, a0, a1, a2):
9698 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9699 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
9702 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
9703 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
9705 def get_is_optimized(self, a0):
9706 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
9707 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
9709 def get_check_level(self):
9710 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
9711 return _IMP_kernel._TrivialDecorator_get_check_level(self)
9713 def __eq__(self, *args):
9715 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9716 __eq__(_TrivialDecorator self, Particle d) -> bool
9718 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
9720 def __ne__(self, *args):
9722 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9723 __ne__(_TrivialDecorator self, Particle d) -> bool
9725 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
9727 def __le__(self, *args):
9729 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9730 __le__(_TrivialDecorator self, Particle d) -> bool
9732 return _IMP_kernel._TrivialDecorator___le__(self, *args)
9734 def __lt__(self, *args):
9736 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9737 __lt__(_TrivialDecorator self, Particle d) -> bool
9739 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
9741 def __ge__(self, *args):
9743 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9744 __ge__(_TrivialDecorator self, Particle d) -> bool
9746 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
9748 def __gt__(self, *args):
9750 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9751 __gt__(_TrivialDecorator self, Particle d) -> bool
9753 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
9756 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
9757 return _IMP_kernel._TrivialDecorator___hash__(self)
9760 r"""__str__(_TrivialDecorator self) -> std::string"""
9761 return _IMP_kernel._TrivialDecorator___str__(self)
9764 r"""__repr__(_TrivialDecorator self) -> std::string"""
9765 return _IMP_kernel._TrivialDecorator___repr__(self)
9767 def _get_as_binary(self):
9768 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
9769 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
9771 def _set_from_binary(self, p):
9772 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
9773 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
9775 def __getstate__(self):
9776 p = self._get_as_binary()
9777 if len(self.__dict__) > 1:
9778 d = self.__dict__.copy()
9783 def __setstate__(self, p):
9784 if not hasattr(self,
'this'):
9786 if isinstance(p, tuple):
9788 self.__dict__.update(d)
9789 return self._set_from_binary(p)
9791 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
9794 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
9795 class _TrivialDerivedDecorator(_TrivialDecorator):
9796 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
9798 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9800 def __init__(self, *args):
9802 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
9803 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
9804 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
9806 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
9808 def show(self, *args):
9809 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
9810 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
9813 def setup_particle(*args):
9815 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
9816 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
9818 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
9821 def get_is_setup(*args):
9823 get_is_setup(_ParticleAdaptor p) -> bool
9824 get_is_setup(Model m, ParticleIndex pi) -> bool
9826 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
9830 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
9831 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9832 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9833 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9834 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9835 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9836 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9837 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9838 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9839 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9840 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9841 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9843 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
9845 def get_value(self, *args):
9847 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
9848 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
9849 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
9850 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
9851 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
9852 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
9853 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
9854 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
9855 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
9856 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
9857 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9859 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
9861 def set_value(self, *args):
9863 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9864 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9865 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9866 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9867 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9868 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9869 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9870 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9871 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9872 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9873 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9875 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
9879 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
9880 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
9881 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
9882 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
9883 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
9884 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
9885 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
9886 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
9887 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
9888 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
9889 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
9891 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
9893 def has_attribute(self, *args):
9895 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
9896 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
9897 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
9898 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
9899 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
9900 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
9901 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
9902 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
9903 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
9904 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
9905 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
9907 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
9909 def get_derivative(self, a0):
9910 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
9911 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
9914 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
9915 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
9918 r"""clear_caches(_TrivialDerivedDecorator self)"""
9919 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
9921 def set_name(self, a0):
9922 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
9923 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
9926 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
9927 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
9929 def add_to_derivative(self, a0, a1, a2):
9930 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9931 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
9934 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
9935 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
9937 def get_is_optimized(self, a0):
9938 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
9939 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
9941 def get_check_level(self):
9942 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
9943 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
9945 def __eq__(self, *args):
9947 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9948 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
9950 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
9952 def __ne__(self, *args):
9954 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9955 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
9957 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
9959 def __le__(self, *args):
9961 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9962 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
9964 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
9966 def __lt__(self, *args):
9968 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9969 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
9971 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
9973 def __ge__(self, *args):
9975 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9976 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
9978 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
9980 def __gt__(self, *args):
9982 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9983 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
9985 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
9988 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
9989 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
9992 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
9993 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
9996 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
9997 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
9999 def _get_as_binary(self):
10000 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
10001 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
10003 def _set_from_binary(self, p):
10004 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
10005 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
10007 def __getstate__(self):
10008 p = self._get_as_binary()
10009 if len(self.__dict__) > 1:
10010 d = self.__dict__.copy()
10015 def __setstate__(self, p):
10016 if not hasattr(self,
'this'):
10018 if isinstance(p, tuple):
10020 self.__dict__.update(d)
10021 return self._set_from_binary(p)
10023 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
10026 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
10027 class _TrivialTraitsDecorator(
Decorator):
10028 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
10030 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10032 def get_decorator_traits(self):
10033 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
10034 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
10037 def get_default_decorator_traits():
10038 r"""get_default_decorator_traits() -> StringKey"""
10039 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
10041 def __init__(self, *args):
10043 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
10044 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10045 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10047 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
10049 def show(self, *args):
10050 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
10051 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
10054 def setup_particle(*args):
10056 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10057 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10059 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
10062 def get_is_setup(*args):
10064 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
10065 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
10067 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
10070 def get_default_key():
10071 r"""get_default_key() -> StringKey"""
10072 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
10076 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
10077 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10078 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10079 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10080 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10081 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10082 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10083 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10084 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10085 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10086 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10087 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10089 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
10091 def get_value(self, *args):
10093 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
10094 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
10095 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
10096 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
10097 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
10098 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
10099 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
10100 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
10101 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
10102 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
10103 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
10105 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
10107 def set_value(self, *args):
10109 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10110 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10111 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10112 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10113 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10114 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10115 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10116 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10117 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10118 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10119 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10121 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
10125 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
10126 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
10127 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
10128 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
10129 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
10130 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
10131 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
10132 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
10133 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
10134 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
10135 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
10137 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
10139 def has_attribute(self, *args):
10141 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
10142 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
10143 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
10144 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
10145 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
10146 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
10147 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
10148 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
10149 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
10150 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
10151 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
10153 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
10155 def get_derivative(self, a0):
10156 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
10157 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
10159 def get_name(self):
10160 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
10161 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
10164 r"""clear_caches(_TrivialTraitsDecorator self)"""
10165 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
10167 def set_name(self, a0):
10168 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
10169 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
10172 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
10173 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
10175 def add_to_derivative(self, a0, a1, a2):
10176 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10177 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
10180 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
10181 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
10183 def get_is_optimized(self, a0):
10184 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
10185 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
10187 def get_check_level(self):
10188 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
10189 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
10191 def __eq__(self, *args):
10193 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10194 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
10196 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
10198 def __ne__(self, *args):
10200 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10201 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
10203 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
10205 def __le__(self, *args):
10207 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10208 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
10210 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
10212 def __lt__(self, *args):
10214 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10215 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
10217 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
10219 def __ge__(self, *args):
10221 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10222 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
10224 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
10226 def __gt__(self, *args):
10228 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10229 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
10231 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
10233 def __hash__(self):
10234 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
10235 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
10238 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
10239 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
10241 def __repr__(self):
10242 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
10243 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
10244 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
10247 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
10249 def __lshift__(*args):
10251 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
10252 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
10253 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
10255 return _IMP_kernel.__lshift__(*args)
10257 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
10259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10261 def __init__(self, *args):
10263 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
10264 __init__(_ConstOptimizer self) -> _ConstOptimizer
10266 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
10268 def do_optimize(self, max_steps):
10269 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
10270 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
10273 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
10274 return _IMP_kernel._ConstOptimizer_get_version_info(self)
10275 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
10278 r"""__str__(_ConstOptimizer self) -> std::string"""
10279 return _IMP_kernel._ConstOptimizer___str__(self)
10281 def __repr__(self):
10282 r"""__repr__(_ConstOptimizer self) -> std::string"""
10283 return _IMP_kernel._ConstOptimizer___repr__(self)
10287 return _object_cast_to__ConstOptimizer(o)
10290 def _get_as_binary(self):
10291 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
10292 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
10294 def _set_from_binary(self, p):
10295 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
10296 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
10298 def __getstate__(self):
10299 p = self._get_as_binary()
10300 if len(self.__dict__) > 1:
10301 d = self.__dict__.copy()
10306 def __setstate__(self, p):
10307 if not hasattr(self,
'this'):
10309 if isinstance(p, tuple):
10311 self.__dict__.update(d)
10312 return self._set_from_binary(p)
10316 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
10319 r"""get_particle(Particle p) -> Particle"""
10320 return _IMP_kernel.get_particle(p)
10322 def _decorator_test(p):
10323 r"""_decorator_test(Particle p)"""
10324 return _IMP_kernel._decorator_test(p)
10326 def _overloaded_decorator(*args):
10328 _overloaded_decorator(_TrivialDecorator a) -> int
10329 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
10331 return _IMP_kernel._overloaded_decorator(*args)
10333 def _take_particles(*args):
10335 _take_particles(IMP::Particles const & ps) -> unsigned int
10336 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
10337 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
10339 return _IMP_kernel._take_particles(*args)
10341 def _give_particles(m):
10342 r"""_give_particles(Model m) -> IMP::Particles const &"""
10343 return _IMP_kernel._give_particles(m)
10345 def _pass_particles(ps):
10346 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
10347 return _IMP_kernel._pass_particles(ps)
10349 def _pass_particle(ps):
10350 r"""_pass_particle(Particle ps) -> Particle"""
10351 return _IMP_kernel._pass_particle(ps)
10353 def _pass_particle_pair(pp):
10354 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
10355 return _IMP_kernel._pass_particle_pair(pp)
10357 def _give_particles_copy(m):
10358 r"""_give_particles_copy(Model m) -> IMP::Particles"""
10359 return _IMP_kernel._give_particles_copy(m)
10361 def _pass_float_keys(input):
10362 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
10363 return _IMP_kernel._pass_float_keys(input)
10367 _pass(IMP::Particles const & p) -> IMP::Particles const
10368 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
10370 return _IMP_kernel._pass(*args)
10372 def _pass_decorators(p):
10373 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
10374 return _IMP_kernel._pass_decorators(p)
10376 def _pass_decorator_traits(p):
10377 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
10378 return _IMP_kernel._pass_decorator_traits(p)
10380 def _pass_particle_pairs(p):
10381 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
10382 return _IMP_kernel._pass_particle_pairs(p)
10384 def _pass_particle_index_pairs(p):
10385 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
10386 return _IMP_kernel._pass_particle_index_pairs(p)
10388 def _pass_model_objects(p):
10389 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
10390 return _IMP_kernel._pass_model_objects(p)
10392 def _pass_particles_temps(ps):
10393 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
10394 return _IMP_kernel._pass_particles_temps(ps)
10396 def _test_overload(*args):
10398 _test_overload(IMP::Particles const & ps) -> int
10399 _test_overload(IMP::Restraints const & ps) -> int
10401 return _IMP_kernel._test_overload(*args)
10403 def _get_range(m, k):
10404 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
10405 return _IMP_kernel._get_range(m, k)
10407 def _create_particles_from_pdb(name, m):
10408 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
10409 return _IMP_kernel._create_particles_from_pdb(name, m)
10411 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
10413 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10414 __repr__ = _swig_repr
10416 def __init__(self):
10417 r"""__init__(_LogPairScore self) -> _LogPairScore"""
10418 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
10420 def do_get_inputs(self, arg2, arg3):
10421 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
10422 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
10424 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10425 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"""
10426 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10428 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10429 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"""
10430 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10432 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10433 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"""
10434 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10436 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10437 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"""
10438 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10441 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
10442 return _IMP_kernel._LogPairScore_get_version_info(self)
10443 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
10445 def get_particle_pairs(self):
10446 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
10447 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
10450 r"""clear(_LogPairScore self)"""
10451 return _IMP_kernel._LogPairScore_clear(self)
10453 def get_contains(self, pp):
10454 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
10455 return _IMP_kernel._LogPairScore_get_contains(self, pp)
10458 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
10460 def _overloaded_particles(*args):
10462 _overloaded_particles(Particle arg1)
10463 _overloaded_particles(IMP::Particles const & arg1)
10464 _overloaded_particles(IMP::ParticlesTemp const & arg1)
10465 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
10466 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
10467 _overloaded_particles(_TrivialDecorator arg1)
10469 return _IMP_kernel._overloaded_particles(*args)
10470 class _ImplicitParticles(object):
10471 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
10473 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10474 __repr__ = _swig_repr
10476 def __init__(self, *args):
10478 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
10479 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
10480 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
10481 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
10482 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
10483 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
10485 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
10486 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
10489 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
10491 def _implicit_particles(arg1):
10492 r"""_implicit_particles(_ImplicitParticles arg1)"""
10493 return _IMP_kernel._implicit_particles(arg1)
10495 def _take_particle_adaptor(pa):
10496 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
10497 return _IMP_kernel._take_particle_adaptor(pa)
10499 def _take_particle_indexes_adaptor(pa):
10500 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
10501 return _IMP_kernel._take_particle_indexes_adaptor(pa)
10502 class Vector1D(_VectorBase1D):
10503 r"""Proxy of C++ IMP::VectorD< 1 > class."""
10505 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10507 def get_unit_vector(self):
10508 r"""get_unit_vector(Vector1D self) -> Vector1D"""
10509 return _IMP_kernel.Vector1D_get_unit_vector(self)
10511 def __truediv__(self, *args):
10512 return _IMP_kernel.Vector1D___truediv__(self, *args)
10513 __div__ = __truediv__
10518 r"""__neg__(Vector1D self) -> Vector1D"""
10519 return _IMP_kernel.Vector1D___neg__(self)
10521 def __sub__(self, o):
10522 r"""__sub__(Vector1D self, Vector1D o) -> Vector1D"""
10523 return _IMP_kernel.Vector1D___sub__(self, o)
10525 def __add__(self, ret):
10526 r"""__add__(Vector1D self, Vector1D ret) -> Vector1D"""
10527 return _IMP_kernel.Vector1D___add__(self, ret)
10529 def __mul__(self, *args):
10531 __mul__(Vector1D self, double s) -> Vector1D
10532 __mul__(Vector1D self, Vector1D o) -> double
10534 return _IMP_kernel.Vector1D___mul__(self, *args)
10536 def __init__(self, *args):
10538 __init__(Vector1D self, IMP::Floats const & f) -> Vector1D
10539 __init__(Vector1D self) -> Vector1D
10540 __init__(Vector1D self, double x) -> Vector1D
10542 _IMP_kernel.Vector1D_swiginit(self, _IMP_kernel.new_Vector1D(*args))
10544 def __iadd__(self, *args):
10545 _IMP_kernel.Vector1D___iadd__(self, *args)
10550 def __imul__(self, *args):
10551 _IMP_kernel.Vector1D___imul__(self, *args)
10556 def __idiv__(self, *args):
10557 _IMP_kernel.Vector1D___idiv__(self, *args)
10562 def __isub__(self, *args):
10563 _IMP_kernel.Vector1D___isub__(self, *args)
10569 r"""__len__(Vector1D self) -> unsigned int"""
10570 return _IMP_kernel.Vector1D___len__(self)
10572 def __rmul__(self, f):
10573 r"""__rmul__(Vector1D self, double f) -> Vector1D"""
10574 return _IMP_kernel.Vector1D___rmul__(self, f)
10577 r"""__str__(Vector1D self) -> std::string"""
10578 return _IMP_kernel.Vector1D___str__(self)
10580 def __repr__(self):
10581 r"""__repr__(Vector1D self) -> std::string"""
10582 return _IMP_kernel.Vector1D___repr__(self)
10584 def __cmp__(self, arg2):
10585 r"""__cmp__(Vector1D self, Vector1D arg2) -> int"""
10586 return _IMP_kernel.Vector1D___cmp__(self, arg2)
10588 def __eq__(self, arg2):
10589 r"""__eq__(Vector1D self, Vector1D arg2) -> bool"""
10590 return _IMP_kernel.Vector1D___eq__(self, arg2)
10592 __truediv__ = __div__
10593 __itruediv__ = __idiv__
10596 def _get_as_binary(self):
10597 r"""_get_as_binary(Vector1D self) -> PyObject *"""
10598 return _IMP_kernel.Vector1D__get_as_binary(self)
10600 def _set_from_binary(self, p):
10601 r"""_set_from_binary(Vector1D self, PyObject * p)"""
10602 return _IMP_kernel.Vector1D__set_from_binary(self, p)
10604 def __getstate__(self):
10605 p = self._get_as_binary()
10606 if len(self.__dict__) > 1:
10607 d = self.__dict__.copy()
10612 def __setstate__(self, p):
10613 if not hasattr(self,
'this'):
10615 if isinstance(p, tuple):
10617 self.__dict__.update(d)
10618 return self._set_from_binary(p)
10621 def __getitem__(self, index):
10622 r"""__getitem__(Vector1D self, int index) -> double"""
10623 return _IMP_kernel.Vector1D___getitem__(self, index)
10625 def __setitem__(self, index, val):
10626 r"""__setitem__(Vector1D self, int index, double val)"""
10627 return _IMP_kernel.Vector1D___setitem__(self, index, val)
10628 __swig_destroy__ = _IMP_kernel.delete_Vector1D
10631 _IMP_kernel.Vector1D_swigregister(Vector1D)
10632 class Vector2D(_VectorBase2D):
10633 r"""Proxy of C++ IMP::VectorD< 2 > class."""
10635 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10637 def get_unit_vector(self):
10638 r"""get_unit_vector(Vector2D self) -> Vector2D"""
10639 return _IMP_kernel.Vector2D_get_unit_vector(self)
10641 def __truediv__(self, *args):
10642 return _IMP_kernel.Vector2D___truediv__(self, *args)
10643 __div__ = __truediv__
10648 r"""__neg__(Vector2D self) -> Vector2D"""
10649 return _IMP_kernel.Vector2D___neg__(self)
10651 def __sub__(self, o):
10652 r"""__sub__(Vector2D self, Vector2D o) -> Vector2D"""
10653 return _IMP_kernel.Vector2D___sub__(self, o)
10655 def __add__(self, ret):
10656 r"""__add__(Vector2D self, Vector2D ret) -> Vector2D"""
10657 return _IMP_kernel.Vector2D___add__(self, ret)
10659 def __mul__(self, *args):
10661 __mul__(Vector2D self, double s) -> Vector2D
10662 __mul__(Vector2D self, Vector2D o) -> double
10664 return _IMP_kernel.Vector2D___mul__(self, *args)
10666 def __init__(self, *args):
10668 __init__(Vector2D self, IMP::Floats const & f) -> Vector2D
10669 __init__(Vector2D self) -> Vector2D
10670 __init__(Vector2D self, double x, double y) -> Vector2D
10672 _IMP_kernel.Vector2D_swiginit(self, _IMP_kernel.new_Vector2D(*args))
10674 def __iadd__(self, *args):
10675 _IMP_kernel.Vector2D___iadd__(self, *args)
10680 def __imul__(self, *args):
10681 _IMP_kernel.Vector2D___imul__(self, *args)
10686 def __idiv__(self, *args):
10687 _IMP_kernel.Vector2D___idiv__(self, *args)
10692 def __isub__(self, *args):
10693 _IMP_kernel.Vector2D___isub__(self, *args)
10699 r"""__len__(Vector2D self) -> unsigned int"""
10700 return _IMP_kernel.Vector2D___len__(self)
10702 def __rmul__(self, f):
10703 r"""__rmul__(Vector2D self, double f) -> Vector2D"""
10704 return _IMP_kernel.Vector2D___rmul__(self, f)
10707 r"""__str__(Vector2D self) -> std::string"""
10708 return _IMP_kernel.Vector2D___str__(self)
10710 def __repr__(self):
10711 r"""__repr__(Vector2D self) -> std::string"""
10712 return _IMP_kernel.Vector2D___repr__(self)
10714 def __cmp__(self, arg2):
10715 r"""__cmp__(Vector2D self, Vector2D arg2) -> int"""
10716 return _IMP_kernel.Vector2D___cmp__(self, arg2)
10718 def __eq__(self, arg2):
10719 r"""__eq__(Vector2D self, Vector2D arg2) -> bool"""
10720 return _IMP_kernel.Vector2D___eq__(self, arg2)
10722 __truediv__ = __div__
10723 __itruediv__ = __idiv__
10726 def _get_as_binary(self):
10727 r"""_get_as_binary(Vector2D self) -> PyObject *"""
10728 return _IMP_kernel.Vector2D__get_as_binary(self)
10730 def _set_from_binary(self, p):
10731 r"""_set_from_binary(Vector2D self, PyObject * p)"""
10732 return _IMP_kernel.Vector2D__set_from_binary(self, p)
10734 def __getstate__(self):
10735 p = self._get_as_binary()
10736 if len(self.__dict__) > 1:
10737 d = self.__dict__.copy()
10742 def __setstate__(self, p):
10743 if not hasattr(self,
'this'):
10745 if isinstance(p, tuple):
10747 self.__dict__.update(d)
10748 return self._set_from_binary(p)
10751 def __getitem__(self, index):
10752 r"""__getitem__(Vector2D self, int index) -> double"""
10753 return _IMP_kernel.Vector2D___getitem__(self, index)
10755 def __setitem__(self, index, val):
10756 r"""__setitem__(Vector2D self, int index, double val)"""
10757 return _IMP_kernel.Vector2D___setitem__(self, index, val)
10758 __swig_destroy__ = _IMP_kernel.delete_Vector2D
10761 _IMP_kernel.Vector2D_swigregister(Vector2D)
10762 class Vector3D(_VectorBase3D):
10763 r"""Proxy of C++ IMP::VectorD< 3 > class."""
10765 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10767 def get_unit_vector(self):
10768 r"""get_unit_vector(Vector3D self) -> Vector3D"""
10769 return _IMP_kernel.Vector3D_get_unit_vector(self)
10771 def __truediv__(self, *args):
10772 return _IMP_kernel.Vector3D___truediv__(self, *args)
10773 __div__ = __truediv__
10778 r"""__neg__(Vector3D self) -> Vector3D"""
10779 return _IMP_kernel.Vector3D___neg__(self)
10781 def __sub__(self, o):
10782 r"""__sub__(Vector3D self, Vector3D o) -> Vector3D"""
10783 return _IMP_kernel.Vector3D___sub__(self, o)
10785 def __add__(self, ret):
10786 r"""__add__(Vector3D self, Vector3D ret) -> Vector3D"""
10787 return _IMP_kernel.Vector3D___add__(self, ret)
10789 def __mul__(self, *args):
10791 __mul__(Vector3D self, double s) -> Vector3D
10792 __mul__(Vector3D self, Vector3D o) -> double
10794 return _IMP_kernel.Vector3D___mul__(self, *args)
10796 def __init__(self, *args):
10798 __init__(Vector3D self, IMP::Floats const & f) -> Vector3D
10799 __init__(Vector3D self) -> Vector3D
10800 __init__(Vector3D self, double x, double y, double z) -> Vector3D
10802 _IMP_kernel.Vector3D_swiginit(self, _IMP_kernel.new_Vector3D(*args))
10804 def __iadd__(self, *args):
10805 _IMP_kernel.Vector3D___iadd__(self, *args)
10810 def __imul__(self, *args):
10811 _IMP_kernel.Vector3D___imul__(self, *args)
10816 def __idiv__(self, *args):
10817 _IMP_kernel.Vector3D___idiv__(self, *args)
10822 def __isub__(self, *args):
10823 _IMP_kernel.Vector3D___isub__(self, *args)
10829 r"""__len__(Vector3D self) -> unsigned int"""
10830 return _IMP_kernel.Vector3D___len__(self)
10832 def __rmul__(self, f):
10833 r"""__rmul__(Vector3D self, double f) -> Vector3D"""
10834 return _IMP_kernel.Vector3D___rmul__(self, f)
10837 r"""__str__(Vector3D self) -> std::string"""
10838 return _IMP_kernel.Vector3D___str__(self)
10840 def __repr__(self):
10841 r"""__repr__(Vector3D self) -> std::string"""
10842 return _IMP_kernel.Vector3D___repr__(self)
10844 def __cmp__(self, arg2):
10845 r"""__cmp__(Vector3D self, Vector3D arg2) -> int"""
10846 return _IMP_kernel.Vector3D___cmp__(self, arg2)
10848 def __eq__(self, arg2):
10849 r"""__eq__(Vector3D self, Vector3D arg2) -> bool"""
10850 return _IMP_kernel.Vector3D___eq__(self, arg2)
10852 __truediv__ = __div__
10853 __itruediv__ = __idiv__
10856 def _get_as_binary(self):
10857 r"""_get_as_binary(Vector3D self) -> PyObject *"""
10858 return _IMP_kernel.Vector3D__get_as_binary(self)
10860 def _set_from_binary(self, p):
10861 r"""_set_from_binary(Vector3D self, PyObject * p)"""
10862 return _IMP_kernel.Vector3D__set_from_binary(self, p)
10864 def __getstate__(self):
10865 p = self._get_as_binary()
10866 if len(self.__dict__) > 1:
10867 d = self.__dict__.copy()
10872 def __setstate__(self, p):
10873 if not hasattr(self,
'this'):
10875 if isinstance(p, tuple):
10877 self.__dict__.update(d)
10878 return self._set_from_binary(p)
10881 def __getitem__(self, index):
10882 r"""__getitem__(Vector3D self, int index) -> double"""
10883 return _IMP_kernel.Vector3D___getitem__(self, index)
10885 def __setitem__(self, index, val):
10886 r"""__setitem__(Vector3D self, int index, double val)"""
10887 return _IMP_kernel.Vector3D___setitem__(self, index, val)
10888 __swig_destroy__ = _IMP_kernel.delete_Vector3D
10891 _IMP_kernel.Vector3D_swigregister(Vector3D)
10892 class Vector4D(_VectorBase4D):
10893 r"""Proxy of C++ IMP::VectorD< 4 > class."""
10895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10897 def get_unit_vector(self):
10898 r"""get_unit_vector(Vector4D self) -> Vector4D"""
10899 return _IMP_kernel.Vector4D_get_unit_vector(self)
10901 def __truediv__(self, *args):
10902 return _IMP_kernel.Vector4D___truediv__(self, *args)
10903 __div__ = __truediv__
10908 r"""__neg__(Vector4D self) -> Vector4D"""
10909 return _IMP_kernel.Vector4D___neg__(self)
10911 def __sub__(self, o):
10912 r"""__sub__(Vector4D self, Vector4D o) -> Vector4D"""
10913 return _IMP_kernel.Vector4D___sub__(self, o)
10915 def __add__(self, ret):
10916 r"""__add__(Vector4D self, Vector4D ret) -> Vector4D"""
10917 return _IMP_kernel.Vector4D___add__(self, ret)
10919 def __mul__(self, *args):
10921 __mul__(Vector4D self, double s) -> Vector4D
10922 __mul__(Vector4D self, Vector4D o) -> double
10924 return _IMP_kernel.Vector4D___mul__(self, *args)
10926 def __init__(self, *args):
10928 __init__(Vector4D self, IMP::Floats const & f) -> Vector4D
10929 __init__(Vector4D self) -> Vector4D
10930 __init__(Vector4D self, double x0, double x1, double x2, double x3) -> Vector4D
10932 _IMP_kernel.Vector4D_swiginit(self, _IMP_kernel.new_Vector4D(*args))
10934 def __iadd__(self, *args):
10935 _IMP_kernel.Vector4D___iadd__(self, *args)
10940 def __imul__(self, *args):
10941 _IMP_kernel.Vector4D___imul__(self, *args)
10946 def __idiv__(self, *args):
10947 _IMP_kernel.Vector4D___idiv__(self, *args)
10952 def __isub__(self, *args):
10953 _IMP_kernel.Vector4D___isub__(self, *args)
10959 r"""__len__(Vector4D self) -> unsigned int"""
10960 return _IMP_kernel.Vector4D___len__(self)
10962 def __rmul__(self, f):
10963 r"""__rmul__(Vector4D self, double f) -> Vector4D"""
10964 return _IMP_kernel.Vector4D___rmul__(self, f)
10967 r"""__str__(Vector4D self) -> std::string"""
10968 return _IMP_kernel.Vector4D___str__(self)
10970 def __repr__(self):
10971 r"""__repr__(Vector4D self) -> std::string"""
10972 return _IMP_kernel.Vector4D___repr__(self)
10974 def __cmp__(self, arg2):
10975 r"""__cmp__(Vector4D self, Vector4D arg2) -> int"""
10976 return _IMP_kernel.Vector4D___cmp__(self, arg2)
10978 def __eq__(self, arg2):
10979 r"""__eq__(Vector4D self, Vector4D arg2) -> bool"""
10980 return _IMP_kernel.Vector4D___eq__(self, arg2)
10982 __truediv__ = __div__
10983 __itruediv__ = __idiv__
10986 def _get_as_binary(self):
10987 r"""_get_as_binary(Vector4D self) -> PyObject *"""
10988 return _IMP_kernel.Vector4D__get_as_binary(self)
10990 def _set_from_binary(self, p):
10991 r"""_set_from_binary(Vector4D self, PyObject * p)"""
10992 return _IMP_kernel.Vector4D__set_from_binary(self, p)
10994 def __getstate__(self):
10995 p = self._get_as_binary()
10996 if len(self.__dict__) > 1:
10997 d = self.__dict__.copy()
11002 def __setstate__(self, p):
11003 if not hasattr(self,
'this'):
11005 if isinstance(p, tuple):
11007 self.__dict__.update(d)
11008 return self._set_from_binary(p)
11011 def __getitem__(self, index):
11012 r"""__getitem__(Vector4D self, int index) -> double"""
11013 return _IMP_kernel.Vector4D___getitem__(self, index)
11015 def __setitem__(self, index, val):
11016 r"""__setitem__(Vector4D self, int index, double val)"""
11017 return _IMP_kernel.Vector4D___setitem__(self, index, val)
11018 __swig_destroy__ = _IMP_kernel.delete_Vector4D
11021 _IMP_kernel.Vector4D_swigregister(Vector4D)
11022 class Vector5D(_VectorBase5D):
11023 r"""Proxy of C++ IMP::VectorD< 5 > class."""
11025 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11027 def get_unit_vector(self):
11028 r"""get_unit_vector(Vector5D self) -> Vector5D"""
11029 return _IMP_kernel.Vector5D_get_unit_vector(self)
11031 def __truediv__(self, *args):
11032 return _IMP_kernel.Vector5D___truediv__(self, *args)
11033 __div__ = __truediv__
11038 r"""__neg__(Vector5D self) -> Vector5D"""
11039 return _IMP_kernel.Vector5D___neg__(self)
11041 def __sub__(self, o):
11042 r"""__sub__(Vector5D self, Vector5D o) -> Vector5D"""
11043 return _IMP_kernel.Vector5D___sub__(self, o)
11045 def __add__(self, ret):
11046 r"""__add__(Vector5D self, Vector5D ret) -> Vector5D"""
11047 return _IMP_kernel.Vector5D___add__(self, ret)
11049 def __mul__(self, *args):
11051 __mul__(Vector5D self, double s) -> Vector5D
11052 __mul__(Vector5D self, Vector5D o) -> double
11054 return _IMP_kernel.Vector5D___mul__(self, *args)
11056 def __init__(self, *args):
11058 __init__(Vector5D self, IMP::Floats const & f) -> Vector5D
11059 __init__(Vector5D self) -> Vector5D
11060 __init__(Vector5D self, double x0, double x1, double x2, double x3, double x4) -> Vector5D
11062 _IMP_kernel.Vector5D_swiginit(self, _IMP_kernel.new_Vector5D(*args))
11064 def __iadd__(self, *args):
11065 _IMP_kernel.Vector5D___iadd__(self, *args)
11070 def __imul__(self, *args):
11071 _IMP_kernel.Vector5D___imul__(self, *args)
11076 def __idiv__(self, *args):
11077 _IMP_kernel.Vector5D___idiv__(self, *args)
11082 def __isub__(self, *args):
11083 _IMP_kernel.Vector5D___isub__(self, *args)
11089 r"""__len__(Vector5D self) -> unsigned int"""
11090 return _IMP_kernel.Vector5D___len__(self)
11092 def __rmul__(self, f):
11093 r"""__rmul__(Vector5D self, double f) -> Vector5D"""
11094 return _IMP_kernel.Vector5D___rmul__(self, f)
11097 r"""__str__(Vector5D self) -> std::string"""
11098 return _IMP_kernel.Vector5D___str__(self)
11100 def __repr__(self):
11101 r"""__repr__(Vector5D self) -> std::string"""
11102 return _IMP_kernel.Vector5D___repr__(self)
11104 def __cmp__(self, arg2):
11105 r"""__cmp__(Vector5D self, Vector5D arg2) -> int"""
11106 return _IMP_kernel.Vector5D___cmp__(self, arg2)
11108 def __eq__(self, arg2):
11109 r"""__eq__(Vector5D self, Vector5D arg2) -> bool"""
11110 return _IMP_kernel.Vector5D___eq__(self, arg2)
11112 __truediv__ = __div__
11113 __itruediv__ = __idiv__
11116 def _get_as_binary(self):
11117 r"""_get_as_binary(Vector5D self) -> PyObject *"""
11118 return _IMP_kernel.Vector5D__get_as_binary(self)
11120 def _set_from_binary(self, p):
11121 r"""_set_from_binary(Vector5D self, PyObject * p)"""
11122 return _IMP_kernel.Vector5D__set_from_binary(self, p)
11124 def __getstate__(self):
11125 p = self._get_as_binary()
11126 if len(self.__dict__) > 1:
11127 d = self.__dict__.copy()
11132 def __setstate__(self, p):
11133 if not hasattr(self,
'this'):
11135 if isinstance(p, tuple):
11137 self.__dict__.update(d)
11138 return self._set_from_binary(p)
11141 def __getitem__(self, index):
11142 r"""__getitem__(Vector5D self, int index) -> double"""
11143 return _IMP_kernel.Vector5D___getitem__(self, index)
11145 def __setitem__(self, index, val):
11146 r"""__setitem__(Vector5D self, int index, double val)"""
11147 return _IMP_kernel.Vector5D___setitem__(self, index, val)
11148 __swig_destroy__ = _IMP_kernel.delete_Vector5D
11151 _IMP_kernel.Vector5D_swigregister(Vector5D)
11152 class Vector6D(_VectorBase6D):
11153 r"""Proxy of C++ IMP::VectorD< 6 > class."""
11155 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11157 def get_unit_vector(self):
11158 r"""get_unit_vector(Vector6D self) -> Vector6D"""
11159 return _IMP_kernel.Vector6D_get_unit_vector(self)
11161 def __truediv__(self, *args):
11162 return _IMP_kernel.Vector6D___truediv__(self, *args)
11163 __div__ = __truediv__
11168 r"""__neg__(Vector6D self) -> Vector6D"""
11169 return _IMP_kernel.Vector6D___neg__(self)
11171 def __sub__(self, o):
11172 r"""__sub__(Vector6D self, Vector6D o) -> Vector6D"""
11173 return _IMP_kernel.Vector6D___sub__(self, o)
11175 def __add__(self, ret):
11176 r"""__add__(Vector6D self, Vector6D ret) -> Vector6D"""
11177 return _IMP_kernel.Vector6D___add__(self, ret)
11179 def __mul__(self, *args):
11181 __mul__(Vector6D self, double s) -> Vector6D
11182 __mul__(Vector6D self, Vector6D o) -> double
11184 return _IMP_kernel.Vector6D___mul__(self, *args)
11186 def __init__(self, *args):
11188 __init__(Vector6D self, IMP::Floats const & f) -> Vector6D
11189 __init__(Vector6D self) -> Vector6D
11190 __init__(Vector6D self, double x0, double x1, double x2, double x3, double x4, double x5) -> Vector6D
11192 _IMP_kernel.Vector6D_swiginit(self, _IMP_kernel.new_Vector6D(*args))
11194 def __iadd__(self, *args):
11195 _IMP_kernel.Vector6D___iadd__(self, *args)
11200 def __imul__(self, *args):
11201 _IMP_kernel.Vector6D___imul__(self, *args)
11206 def __idiv__(self, *args):
11207 _IMP_kernel.Vector6D___idiv__(self, *args)
11212 def __isub__(self, *args):
11213 _IMP_kernel.Vector6D___isub__(self, *args)
11219 r"""__len__(Vector6D self) -> unsigned int"""
11220 return _IMP_kernel.Vector6D___len__(self)
11222 def __rmul__(self, f):
11223 r"""__rmul__(Vector6D self, double f) -> Vector6D"""
11224 return _IMP_kernel.Vector6D___rmul__(self, f)
11227 r"""__str__(Vector6D self) -> std::string"""
11228 return _IMP_kernel.Vector6D___str__(self)
11230 def __repr__(self):
11231 r"""__repr__(Vector6D self) -> std::string"""
11232 return _IMP_kernel.Vector6D___repr__(self)
11234 def __cmp__(self, arg2):
11235 r"""__cmp__(Vector6D self, Vector6D arg2) -> int"""
11236 return _IMP_kernel.Vector6D___cmp__(self, arg2)
11238 def __eq__(self, arg2):
11239 r"""__eq__(Vector6D self, Vector6D arg2) -> bool"""
11240 return _IMP_kernel.Vector6D___eq__(self, arg2)
11242 __truediv__ = __div__
11243 __itruediv__ = __idiv__
11246 def _get_as_binary(self):
11247 r"""_get_as_binary(Vector6D self) -> PyObject *"""
11248 return _IMP_kernel.Vector6D__get_as_binary(self)
11250 def _set_from_binary(self, p):
11251 r"""_set_from_binary(Vector6D self, PyObject * p)"""
11252 return _IMP_kernel.Vector6D__set_from_binary(self, p)
11254 def __getstate__(self):
11255 p = self._get_as_binary()
11256 if len(self.__dict__) > 1:
11257 d = self.__dict__.copy()
11262 def __setstate__(self, p):
11263 if not hasattr(self,
'this'):
11265 if isinstance(p, tuple):
11267 self.__dict__.update(d)
11268 return self._set_from_binary(p)
11271 def __getitem__(self, index):
11272 r"""__getitem__(Vector6D self, int index) -> double"""
11273 return _IMP_kernel.Vector6D___getitem__(self, index)
11275 def __setitem__(self, index, val):
11276 r"""__setitem__(Vector6D self, int index, double val)"""
11277 return _IMP_kernel.Vector6D___setitem__(self, index, val)
11278 __swig_destroy__ = _IMP_kernel.delete_Vector6D
11281 _IMP_kernel.Vector6D_swigregister(Vector6D)
11282 class VectorKD(_VectorBaseKD):
11283 r"""Proxy of C++ IMP::VectorD< -1 > class."""
11285 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11287 def get_unit_vector(self):
11288 r"""get_unit_vector(VectorKD self) -> VectorKD"""
11289 return _IMP_kernel.VectorKD_get_unit_vector(self)
11291 def __truediv__(self, *args):
11292 return _IMP_kernel.VectorKD___truediv__(self, *args)
11293 __div__ = __truediv__
11298 r"""__neg__(VectorKD self) -> VectorKD"""
11299 return _IMP_kernel.VectorKD___neg__(self)
11301 def __sub__(self, o):
11302 r"""__sub__(VectorKD self, VectorKD o) -> VectorKD"""
11303 return _IMP_kernel.VectorKD___sub__(self, o)
11305 def __add__(self, ret):
11306 r"""__add__(VectorKD self, VectorKD ret) -> VectorKD"""
11307 return _IMP_kernel.VectorKD___add__(self, ret)
11309 def __mul__(self, *args):
11311 __mul__(VectorKD self, double s) -> VectorKD
11312 __mul__(VectorKD self, VectorKD o) -> double
11314 return _IMP_kernel.VectorKD___mul__(self, *args)
11316 def __init__(self, *args):
11318 __init__(VectorKD self, IMP::Floats const & f) -> VectorKD
11319 __init__(VectorKD self) -> VectorKD
11320 __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
11322 _IMP_kernel.VectorKD_swiginit(self, _IMP_kernel.new_VectorKD(*args))
11324 def __iadd__(self, *args):
11325 _IMP_kernel.VectorKD___iadd__(self, *args)
11330 def __imul__(self, *args):
11331 _IMP_kernel.VectorKD___imul__(self, *args)
11336 def __idiv__(self, *args):
11337 _IMP_kernel.VectorKD___idiv__(self, *args)
11342 def __isub__(self, *args):
11343 _IMP_kernel.VectorKD___isub__(self, *args)
11349 r"""__len__(VectorKD self) -> unsigned int"""
11350 return _IMP_kernel.VectorKD___len__(self)
11352 def __rmul__(self, f):
11353 r"""__rmul__(VectorKD self, double f) -> VectorKD"""
11354 return _IMP_kernel.VectorKD___rmul__(self, f)
11357 r"""__str__(VectorKD self) -> std::string"""
11358 return _IMP_kernel.VectorKD___str__(self)
11360 def __repr__(self):
11361 r"""__repr__(VectorKD self) -> std::string"""
11362 return _IMP_kernel.VectorKD___repr__(self)
11364 def __cmp__(self, arg2):
11365 r"""__cmp__(VectorKD self, VectorKD arg2) -> int"""
11366 return _IMP_kernel.VectorKD___cmp__(self, arg2)
11368 def __eq__(self, arg2):
11369 r"""__eq__(VectorKD self, VectorKD arg2) -> bool"""
11370 return _IMP_kernel.VectorKD___eq__(self, arg2)
11372 __truediv__ = __div__
11373 __itruediv__ = __idiv__
11376 def _get_as_binary(self):
11377 r"""_get_as_binary(VectorKD self) -> PyObject *"""
11378 return _IMP_kernel.VectorKD__get_as_binary(self)
11380 def _set_from_binary(self, p):
11381 r"""_set_from_binary(VectorKD self, PyObject * p)"""
11382 return _IMP_kernel.VectorKD__set_from_binary(self, p)
11384 def __getstate__(self):
11385 p = self._get_as_binary()
11386 if len(self.__dict__) > 1:
11387 d = self.__dict__.copy()
11392 def __setstate__(self, p):
11393 if not hasattr(self,
'this'):
11395 if isinstance(p, tuple):
11397 self.__dict__.update(d)
11398 return self._set_from_binary(p)
11401 def __getitem__(self, index):
11402 r"""__getitem__(VectorKD self, int index) -> double"""
11403 return _IMP_kernel.VectorKD___getitem__(self, index)
11405 def __setitem__(self, index, val):
11406 r"""__setitem__(VectorKD self, int index, double val)"""
11407 return _IMP_kernel.VectorKD___setitem__(self, index, val)
11408 __swig_destroy__ = _IMP_kernel.delete_VectorKD
11411 _IMP_kernel.VectorKD_swigregister(VectorKD)
11413 def get_basis_vector_1d(coordinate):
11414 r"""get_basis_vector_1d(unsigned int coordinate) -> Vector1D"""
11415 return _IMP_kernel.get_basis_vector_1d(coordinate)
11417 def get_basis_vector_2d(coordinate):
11418 r"""get_basis_vector_2d(unsigned int coordinate) -> Vector2D"""
11419 return _IMP_kernel.get_basis_vector_2d(coordinate)
11421 def get_basis_vector_3d(coordinate):
11422 r"""get_basis_vector_3d(unsigned int coordinate) -> Vector3D"""
11423 return _IMP_kernel.get_basis_vector_3d(coordinate)
11425 def get_basis_vector_4d(coordinate):
11426 r"""get_basis_vector_4d(unsigned int coordinate) -> Vector4D"""
11427 return _IMP_kernel.get_basis_vector_4d(coordinate)
11429 def get_basis_vector_5d(coordinate):
11430 r"""get_basis_vector_5d(unsigned int coordinate) -> Vector5D"""
11431 return _IMP_kernel.get_basis_vector_5d(coordinate)
11433 def get_basis_vector_6d(coordinate):
11434 r"""get_basis_vector_6d(unsigned int coordinate) -> Vector6D"""
11435 return _IMP_kernel.get_basis_vector_6d(coordinate)
11437 def get_zero_vector_1d():
11438 r"""get_zero_vector_1d() -> Vector1D"""
11439 return _IMP_kernel.get_zero_vector_1d()
11441 def get_zero_vector_2d():
11442 r"""get_zero_vector_2d() -> Vector2D"""
11443 return _IMP_kernel.get_zero_vector_2d()
11445 def get_zero_vector_3d():
11446 r"""get_zero_vector_3d() -> Vector3D"""
11447 return _IMP_kernel.get_zero_vector_3d()
11449 def get_zero_vector_4d():
11450 r"""get_zero_vector_4d() -> Vector4D"""
11451 return _IMP_kernel.get_zero_vector_4d()
11453 def get_zero_vector_5d():
11454 r"""get_zero_vector_5d() -> Vector5D"""
11455 return _IMP_kernel.get_zero_vector_5d()
11457 def get_zero_vector_6d():
11458 r"""get_zero_vector_6d() -> Vector6D"""
11459 return _IMP_kernel.get_zero_vector_6d()
11461 def get_ones_vector_1d(v=1):
11462 r"""get_ones_vector_1d(double v=1) -> Vector1D"""
11463 return _IMP_kernel.get_ones_vector_1d(v)
11465 def get_ones_vector_2d(v=1):
11466 r"""get_ones_vector_2d(double v=1) -> Vector2D"""
11467 return _IMP_kernel.get_ones_vector_2d(v)
11469 def get_ones_vector_3d(v=1):
11470 r"""get_ones_vector_3d(double v=1) -> Vector3D"""
11471 return _IMP_kernel.get_ones_vector_3d(v)
11473 def get_ones_vector_4d(v=1):
11474 r"""get_ones_vector_4d(double v=1) -> Vector4D"""
11475 return _IMP_kernel.get_ones_vector_4d(v)
11477 def get_ones_vector_5d(v=1):
11478 r"""get_ones_vector_5d(double v=1) -> Vector5D"""
11479 return _IMP_kernel.get_ones_vector_5d(v)
11481 def get_ones_vector_6d(v=1):
11482 r"""get_ones_vector_6d(double v=1) -> Vector6D"""
11483 return _IMP_kernel.get_ones_vector_6d(v)
11485 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
11487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11488 __repr__ = _swig_repr
11490 def __init__(self, *args):
11492 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
11493 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
11495 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
11497 def do_add_score_and_derivatives(self, sa, ss):
11498 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
11499 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
11501 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
11502 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)"""
11503 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
11505 def do_get_inputs(self):
11506 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
11507 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
11509 def get_restraints(self):
11510 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
11511 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
11513 def set_restraints(self, s):
11514 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
11515 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
11517 def get_number_of_restraints(self):
11518 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
11519 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
11521 def clear_restraints(self):
11522 r"""clear_restraints(_RestraintsScoringFunction self)"""
11523 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
11525 def get_restraint(self, i):
11526 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
11527 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
11529 def erase_restraint(self, i):
11530 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
11531 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
11534 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
11535 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
11538 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
11539 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
11541 def _python_index_restraint(self, r, start, stop):
11542 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
11543 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
11546 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
11547 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
11548 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
11552 return _object_cast_to__RestraintsScoringFunction(o)
11555 def __get_restraints(self):
11556 return _list_util.VarList(
11557 getdimfunc=self.get_number_of_restraints,
11558 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
11559 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
11560 clearfunc=self.clear_restraints,
11561 indexfunc=self._python_index_restraint)
11563 def __set_restraints(self, obj):
11564 _list_util.set_varlist(self.restraints, obj)
11566 def __del_restraints(self):
11567 _list_util.del_varlist(self.restraints)
11569 restraints = property(__get_restraints, __set_restraints,
11570 __del_restraints, doc=
"List of Restraints")
11573 def _get_jax(self):
11574 import IMP._jax_util
11575 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
11576 funcs = [j.score_func
for j
in jis]
11577 keys = frozenset(x
for j
in jis
for x
in j._keys)
11579 return sum(f(jm)
for f
in funcs)
11580 return IMP._jax_util.JAXRestraintInfo(
11581 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
11585 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
11587 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
11589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11591 def __init__(self, *args):
11593 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
11594 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
11596 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
11598 def set(self, p, key, value):
11599 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
11600 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
11603 r"""reset(ScopedSetFloatAttribute self)"""
11604 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
11605 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
11607 def show(self, *args):
11608 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
11609 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
11612 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
11613 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
11615 def __repr__(self):
11616 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
11617 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
11620 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
11622 def _get_module_data_path(module, file_name):
11623 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
11624 return _IMP_kernel._get_module_data_path(module, file_name)
11626 def _get_module_example_path(module, file_name):
11627 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
11628 return _IMP_kernel._get_module_example_path(module, file_name)
11637 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
11638 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
11639 pathcomps = os.environ[
'PATH'].split(
";")
11641 if d
not in pathcomps:
11642 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
11650 """Allow command line tools to easily implement multiple commands.
11651 Typically, an IMP command line tool will use an instance of this class
11652 to provide a consistent interface to multiple distinct commands
11653 from a single binary, rather than providing a potentially large
11654 number of binaries. This is similar to the way a number of common
11655 command line tools outside of IMP function (e.g. Git provides a single
11656 `git` tool which implements multiple commands - `git add`, `git commit`,
11657 `git push` and so on).
11659 Each command is implemented with a Python module of the same name
11660 that can be imported from the module (for example, if `module_name`
11661 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
11662 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
11663 Each such module should have a docstring and a `%main()` method
11664 that takes no arguments (the module should also call its `%main()` method
11665 if it is run directly, i.e. with something like
11666 `if __name__=="__main__": %main()`). The encompassing module
11667 (`IMP.foo` in the example) should define `_all_commands` as a Python
11668 list of all valid commands.
11670 See the `multifit` and `cnmultifit` command line tools for example
11676 @param short_help A few words that describe the command line tool.
11677 @param long_help Longer text, used in the `help` command.
11678 @param module_name Name of the module (e.g. `IMP.foo`) that
11679 implements the commands.
11681 self.short_help = short_help
11682 self.long_help = long_help
11683 self.module_name = module_name
11684 self._all_commands = self.import_module()._all_commands
11685 self._progname = os.path.basename(sys.argv[0])
11688 """Call this method to act upon the user-provided command line"""
11689 if len(sys.argv) <= 1:
11690 print(self.short_help +
" Use '%s help' for help." % self._progname)
11692 command = sys.argv[1]
11693 if command
in (
'help',
'--help',
'-h'):
11694 if len(sys.argv) == 3:
11695 self.show_command_help(sys.argv[2])
11698 elif command ==
'--version':
11699 self.show_version()
11700 elif command
in self._all_commands:
11701 self.do_command(command)
11703 self.unknown_command(command)
11705 def import_module(self, mod=None):
11706 modname = self.module_name
11707 if mod
is not None:
11708 modname +=
"." + mod
11709 return __import__(modname, {}, {}, [
''])
11711 def unknown_command(self, command):
11712 print(
"Unknown command: '%s'" % command)
11713 print(
"Use '%s help' for help." % self._progname)
11716 def _get_version(self):
11719 def show_version(self):
11720 print(self._progname +
' ' + self._get_version())
11722 def show_help(self):
11723 ver = self._get_version()
11724 print(
"%s, version %s." % (self._progname, ver))
11725 print(self.long_help +
"""
11727 This program is part of IMP, the Integrative Modeling Platform,
11729 For additional information about IMP, see <https://integrativemodeling.org>.
11731 Usage: %s <command> [options] [args]
11734 commands = self._all_commands[:] + [
'help']
11736 cmdlen = max([len(c)
for c
in commands])
11739 doc =
'Get help on using %s.' % self._progname
11741 doc = self.import_module(c).__doc__
or "<no help>"
11742 c +=
' ' * (cmdlen - len(c))
11743 print(
' ' + c +
' ' + doc)
11745 Use "%s help <command>" for detailed help on any command
11746 or "%s --version" to see the version number.""" % (self._progname,
11749 def do_command(self, command):
11750 mod = self.import_module(command)
11751 sys.argv[0] = self._progname +
' ' + command
11755 def show_command_help(self, command):
11756 if command ==
'help':
11758 elif command
in self._all_commands
or command ==
'help':
11759 mod = self.import_module(command)
11760 sys.argv = [self._progname +
' ' + command,
'--help']
11763 self.unknown_command(command)
11770 g = networkx.DiGraph()
11771 if len(ig.get_vertices()) == 0:
11780 return self.p.get_name()
11782 def __call__(self, name):
11783 return self.p.__call__(name)
11785 for vi
in ig.get_vertices():
11786 n = ig.get_vertex_name(vi)
11787 g.add_node(NodeWrapper(n))
11788 for vi
in ig.get_vertices():
11789 n = ig.get_vertex_name(vi)
11790 for ni
in ig.get_out_neighbors(vi):
11791 nn = ig.get_vertex_name(ni)
11792 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
11799 n0 = name.get_name()
11802 n1 = str(n0).replace(
'"',
'')
11803 n2 = n1.replace(
"\n",
'')
11806 from altgraph
import Graph, Dot
11807 graph = Graph.Graph()
11808 for i, v
in enumerate(g.get_vertices()):
11810 for i, v
in enumerate(g.get_vertices()):
11811 for n
in g.get_out_neighbors(v):
11812 graph.add_edge(v, n)
11813 dot = Dot.Dot(graph)
11814 for i, v
in enumerate(g.get_vertices()):
11815 dot.node_style(i, label=clean(g.get_vertex_name(v)))
11823 st = g.get_graphviz_string()
11824 with open(tfn,
"w")
as fh:
11827 print(
"running dot")
11828 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
11832 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")
11835 if platform.system() ==
"Darwin":
11838 cmd = [
"gv",
"acroread",
"xpdf"]
11841 print(
"launching viewer " + c)
11843 subprocess.check_call([c, tfon])
11849 print(
"Could not display file. It is saved at " + tfon)
11859 """Mark a Python module as deprecated.
11860 @note The `module` argument would normally be `__name__`.
11861 @see [deprecation support](@ref deprecation)."""
11863 "Module %s is deprecated. %s\n" % (module, help_message))
11866 """Python decorator to mark a class as deprecated.
11867 @see [deprecation support](@ref deprecation)."""
11869 orig_init = obj.__init__
11872 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
11873 def __init__(obj, *args, **keys):
11875 % (type(obj), help_message))
11876 orig_init(obj, *args, **keys)
11877 obj.__init__ = __init__
11882 """Python decorator to mark a method as deprecated.
11883 @see [deprecation support](@ref deprecation)."""
11884 def out_wrapper(obj):
11885 @functools.wraps(obj)
11886 def wrapper(cls, *args, **keys):
11888 % (obj.__name__, type(cls), help_message))
11889 return obj(cls, *args, **keys)
11894 """Python decorator to mark a function as deprecated.
11895 @see [deprecation support](@ref deprecation)."""
11896 def out_wrapper(obj):
11897 @functools.wraps(obj)
11898 def wrapper(*args, **keys):
11900 % (obj.__name__, help_message))
11901 return obj(*args, **keys)
11905 @contextlib.contextmanager
11907 """Context manager to temporarily allow (or disallow) deprecated code.
11908 @see [deprecation support](@ref deprecation)."""
11915 def _get_all_flags(ntokens):
11916 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
11917 return _IMP_kernel._get_all_flags(ntokens)
11919 def _print_internal_help(out, description):
11920 r"""_print_internal_help(_ostream out, std::string description)"""
11921 return _IMP_kernel._print_internal_help(out, description)
11927 class _PassThroughAction(argparse.Action):
11928 """Pass an argument through to the IMP Boost parser"""
11929 def __call__(self, parser, namespace, values, option_string=None):
11930 parser._boost_command_line.append(option_string)
11932 parser._boost_command_line.append(values)
11935 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
11936 parser._handle_boost()
11940 """IMP-specific subclass of argparse.ArgumentParser.
11941 This adds options common to all IMP applications
11942 (see IMP::setup_from_argv()).
11945 def __init__(self, *args, **kwargs):
11947 kwargs[
'add_help'] =
False
11948 super().__init__(*args, **kwargs)
11949 for ntoken
in (0, 1):
11950 flags = _get_all_flags(ntoken)
11952 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
11953 self.add_argument(*arg, help=argparse.SUPPRESS,
11954 nargs=
None if ntoken
else 0,
11955 action=_PassThroughAction,
11956 default=argparse.SUPPRESS)
11959 """Parse the command line and return optional and positional arguments.
11960 This functions in the same way as the method in the base class
11961 argparse.ArgumentParser, except that it also processes optional
11962 arguments common to all IMP applications (these are not returned
11963 in `args`, but can be obtained in the usual way, e.g. by calling
11964 IMP::get_string_flag()).
11967 self._boost_command_line = [sys.argv[0]]
11969 if len(self._boost_command_line) > 1:
11970 self._handle_boost()
11973 def _get_description(self):
11974 return self.format_help() +
"\nOptions common to all IMP applications:"
11976 def print_help(self, file=None):
11977 _print_internal_help(file
if file
else sys.stdout,
11978 self._get_description())
11980 def _handle_boost(self):
11982 self._get_description(),
11985 class RandomNumberGenerator(object):
11986 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
11988 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11989 __repr__ = _swig_repr
11992 r"""seed(RandomNumberGenerator self, int x)"""
11993 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
11995 def __call__(self):
11996 r"""__call__(RandomNumberGenerator self) -> int"""
11997 return _IMP_kernel.RandomNumberGenerator___call__(self)
11999 def __init__(self):
12000 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
12001 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
12002 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
12005 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
12009 get_random_float_uniform() -> float
12010 get_random_float_uniform(float min, float max) -> float
12012 return _IMP_kernel.get_random_float_uniform(*args)
12016 get_random_double_uniform() -> double
12017 get_random_double_uniform(double min, double max) -> double
12019 return _IMP_kernel.get_random_double_uniform(*args)
12021 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
12022 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
12023 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
12025 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
12026 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
12027 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
12029 def get_random_floats_uniform(n):
12030 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
12031 return _IMP_kernel.get_random_floats_uniform(n)
12033 def get_random_doubles_uniform(n):
12034 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
12035 return _IMP_kernel.get_random_doubles_uniform(n)
12038 r"""get_random_seed() -> boost::uint64_t"""
12039 return _IMP_kernel.get_random_seed()
12041 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
12042 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12043 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
12045 def _get_floats_numpy(m, k, m_pyobj, read_only):
12046 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12047 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
12049 def _get_ints_numpy(m, k, m_pyobj, read_only):
12050 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12051 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
12053 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
12054 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12055 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
12057 def _get_vector3dderiv_numpy(m, k, m_pyobj, read_only):
12058 r"""_get_vector3dderiv_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12059 return _IMP_kernel._get_vector3dderiv_numpy(m, k, m_pyobj, read_only)
12061 def _get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12062 r"""_get_vector3dderiv_derivatives_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12063 return _IMP_kernel._get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12065 def _get_vector4ds_numpy(m, k, m_pyobj, read_only):
12066 r"""_get_vector4ds_numpy(Model m, Vector4DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12067 return _IMP_kernel._get_vector4ds_numpy(m, k, m_pyobj, read_only)
12069 def _get_vector4dderiv_numpy(m, k, m_pyobj, read_only):
12070 r"""_get_vector4dderiv_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12071 return _IMP_kernel._get_vector4dderiv_numpy(m, k, m_pyobj, read_only)
12073 def _get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12074 r"""_get_vector4dderiv_derivatives_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12075 return _IMP_kernel._get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12077 def _get_spheres_numpy(m, m_pyobj, read_only):
12078 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12079 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
12081 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
12082 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12083 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
12085 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
12086 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12087 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
12089 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
12090 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12091 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
12095 ParticleIndex = numpy.intc
12096 except ImportError:
12101 """Warning for incomplete JAX support or different behavior of JAX code"""
12105 def get_module_name():
12106 r"""get_module_name() -> std::string const"""
12107 return _IMP_kernel.get_module_name()
12110 r"""get_module_version() -> std::string const"""
12111 return _IMP_kernel.get_module_version()
12114 r"""get_example_path(std::string fname) -> std::string"""
12115 return _IMP_kernel.get_example_path(fname)
12118 r"""get_data_path(std::string fname) -> std::string"""
12119 return _IMP_kernel.get_data_path(fname)
12121 from .
import _version_check
12126 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.