17 import builtins
as __builtin__
21 strthis =
"proxy of " + self.this.__repr__()
22 except __builtin__.Exception:
24 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
27 def _swig_setattr_nondynamic_instance_variable(set):
28 def set_instance_attr(self, name, value):
30 set(self, name, value)
31 elif name ==
"thisown":
33 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
34 set(self, name, value)
36 raise AttributeError(
"You cannot add instance attributes to %s" % self)
37 return set_instance_attr
40 def _swig_setattr_nondynamic_class_variable(set):
41 def set_class_attr(cls, name, value):
42 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
45 raise AttributeError(
"You cannot add class attributes to %s" % cls)
49 class _SwigNonDynamicMeta(type):
50 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
56 class IMP_KERNEL_SwigPyIterator(object):
57 r"""Proxy of C++ swig::IMP_KERNEL_SwigPyIterator class."""
59 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
61 def __init__(self, *args, **kwargs):
62 raise AttributeError(
"No constructor defined - class is abstract")
64 __swig_destroy__ = _IMP_kernel.delete_IMP_KERNEL_SwigPyIterator
67 r"""value(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
68 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_value(self)
71 r"""incr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
72 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_incr(self, n)
75 r"""decr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
76 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_decr(self, n)
78 def distance(self, x):
79 r"""distance(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t"""
80 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_distance(self, x)
83 r"""equal(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
84 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_equal(self, x)
87 r"""copy(IMP_KERNEL_SwigPyIterator self) -> IMP_KERNEL_SwigPyIterator"""
88 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_copy(self)
91 r"""__next__(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
92 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___next__(self)
95 r"""previous(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
96 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_previous(self)
99 r"""advance(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
100 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_advance(self, n)
103 r"""__eq__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
104 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___eq__(self, x)
107 r"""__ne__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
108 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___ne__(self, x)
110 def __iadd__(self, n):
111 r"""__iadd__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
112 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___iadd__(self, n)
114 def __isub__(self, n):
115 r"""__isub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
116 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___isub__(self, n)
118 def __add__(self, n):
119 r"""__add__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
120 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___add__(self, n)
122 def __sub__(self, *args):
124 __sub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator
125 __sub__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t
127 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___sub__(self, *args)
132 _IMP_kernel.IMP_KERNEL_SwigPyIterator_swigregister(IMP_KERNEL_SwigPyIterator)
139 IMP_DEBUG = _IMP_kernel.IMP_DEBUG
141 IMP_RELEASE = _IMP_kernel.IMP_RELEASE
143 IMP_SILENT = _IMP_kernel.IMP_SILENT
145 IMP_PROGRESS = _IMP_kernel.IMP_PROGRESS
147 IMP_TERSE = _IMP_kernel.IMP_TERSE
149 IMP_VERBOSE = _IMP_kernel.IMP_VERBOSE
151 IMP_MEMORY = _IMP_kernel.IMP_MEMORY
153 IMP_NONE = _IMP_kernel.IMP_NONE
155 IMP_USAGE = _IMP_kernel.IMP_USAGE
157 IMP_INTERNAL = _IMP_kernel.IMP_INTERNAL
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_kernel.IMP_KERNEL_HAS_LOG4CXX
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_kernel.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_kernel.IMP_COMPILER_HAS_DEBUG_VECTOR
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_kernel.IMP_COMPILER_HAS_RANDOM_SHUFFLE
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_kernel.IMP_COMPILER_HAS_THREE_WAY
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_RANDOM
171 IMP_KERNEL_HAS_NUMPY = _IMP_kernel.IMP_KERNEL_HAS_NUMPY
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_SYSTEM
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_kernel.IMP_KERNEL_HAS_GPERFTOOLS
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
181 IMPKERNEL_SHOW_WARNINGS = _IMP_kernel.IMPKERNEL_SHOW_WARNINGS
185 class _DirectorObjects:
186 """@internal Simple class to keep references to director objects
187 to prevent premature deletion."""
190 def register(self, obj):
191 """Take a reference to a director object; will only work for
192 refcounted C++ classes"""
193 if hasattr(obj,
'get_ref_count'):
194 self._objects.append(obj)
196 """Only drop our reference and allow cleanup by Python if no other
197 Python references exist (we hold 3 references: one in self._objects,
198 one in x, and one in the argument list for getrefcount) *and* no
199 other C++ references exist (the Python object always holds one)"""
200 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
201 or x.get_ref_count() > 1]
205 def get_object_count(self):
206 """Get number of director objects (useful for testing only)"""
207 return len(self._objects)
208 _director_objects = _DirectorObjects()
210 DEFAULT_CHECK = _IMP_kernel.DEFAULT_CHECK
212 NONE = _IMP_kernel.NONE
214 USAGE = _IMP_kernel.USAGE
216 USAGE_AND_INTERNAL = _IMP_kernel.USAGE_AND_INTERNAL
220 r"""set_check_level(IMP::CheckLevel tf)"""
221 return _IMP_kernel.set_check_level(tf)
224 r"""get_check_level() -> IMP::CheckLevel"""
225 return _IMP_kernel.get_check_level()
227 from _IMP_kernel
import Exception, InternalException, ModelException, EventException
228 from _IMP_kernel
import UsageException, IndexException, IOException, ValueException
229 from _IMP_kernel
import TypeException
231 class _ostream(object):
232 r"""Proxy of C++ std::ostream class."""
234 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
236 def __init__(self, *args, **kwargs):
237 raise AttributeError(
"No constructor defined")
238 __repr__ = _swig_repr
240 def write(self, osa_buf):
241 r"""write(_ostream self, char const * osa_buf)"""
242 return _IMP_kernel._ostream_write(self, osa_buf)
245 _IMP_kernel._ostream_swigregister(_ostream)
246 IMP_C_OPEN_BINARY = _IMP_kernel.IMP_C_OPEN_BINARY
249 from .
import _list_util
252 _models_set = weakref.WeakSet()
254 def _models_set_get(m):
255 for x
in _models_set:
260 _raii_types.append(
"SetLogState")
263 _raii_types.append(
"SetNumberOfThreads")
266 _raii_types.append(
"SetCheckState")
269 _object_types.append(
"Object")
272 def _object_cast_to_Object(o):
273 r"""_object_cast_to_Object(Object * o) -> Object"""
274 return _IMP_kernel._object_cast_to_Object(o)
276 _object_types.append(
"_TestObject")
279 def _object_cast_to__TestObject(o):
280 r"""_object_cast_to__TestObject(Object * o) -> _TestObject"""
281 return _IMP_kernel._object_cast_to__TestObject(o)
284 _plural_types.append(
"VersionInfos")
285 _value_types.append(
"VersionInfo")
288 _raii_types.append(
"CreateLogContext")
291 _raii_types.append(
"WarningContext")
294 _raii_types.append(
"SetLogTarget")
298 _plural_types.append(
"_TestValues")
299 _value_types.append(
"_TestValue")
303 _plural_types.append(
"Floats")
304 _value_types.append(
"Float")
308 _plural_types.append(
"Ints")
309 _value_types.append(
"Int")
313 _plural_types.append(
"Strings")
314 _value_types.append(
"String")
318 _plural_types.append(
"_Protections")
319 _value_types.append(
"_Protection")
321 class _GeometricPrimitive1D(object):
322 r"""Proxy of C++ IMP::GeometricPrimitiveD< 1 > class."""
324 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
326 def __init__(self, *args, **kwargs):
327 raise AttributeError(
"No constructor defined")
328 __repr__ = _swig_repr
329 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive1D
332 _IMP_kernel._GeometricPrimitive1D_swigregister(_GeometricPrimitive1D)
333 class _GeometricPrimitive2D(object):
334 r"""Proxy of C++ IMP::GeometricPrimitiveD< 2 > class."""
336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
338 def __init__(self, *args, **kwargs):
339 raise AttributeError(
"No constructor defined")
340 __repr__ = _swig_repr
341 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive2D
344 _IMP_kernel._GeometricPrimitive2D_swigregister(_GeometricPrimitive2D)
345 class _GeometricPrimitive3D(object):
346 r"""Proxy of C++ IMP::GeometricPrimitiveD< 3 > class."""
348 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
350 def __init__(self, *args, **kwargs):
351 raise AttributeError(
"No constructor defined")
352 __repr__ = _swig_repr
353 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive3D
356 _IMP_kernel._GeometricPrimitive3D_swigregister(_GeometricPrimitive3D)
357 class _GeometricPrimitive4D(object):
358 r"""Proxy of C++ IMP::GeometricPrimitiveD< 4 > class."""
360 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
362 def __init__(self, *args, **kwargs):
363 raise AttributeError(
"No constructor defined")
364 __repr__ = _swig_repr
365 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive4D
368 _IMP_kernel._GeometricPrimitive4D_swigregister(_GeometricPrimitive4D)
369 class _GeometricPrimitive5D(object):
370 r"""Proxy of C++ IMP::GeometricPrimitiveD< 5 > class."""
372 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
374 def __init__(self, *args, **kwargs):
375 raise AttributeError(
"No constructor defined")
376 __repr__ = _swig_repr
377 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive5D
380 _IMP_kernel._GeometricPrimitive5D_swigregister(_GeometricPrimitive5D)
381 class _GeometricPrimitive6D(object):
382 r"""Proxy of C++ IMP::GeometricPrimitiveD< 6 > class."""
384 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
386 def __init__(self, *args, **kwargs):
387 raise AttributeError(
"No constructor defined")
388 __repr__ = _swig_repr
389 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitive6D
392 _IMP_kernel._GeometricPrimitive6D_swigregister(_GeometricPrimitive6D)
393 class _GeometricPrimitiveKD(object):
394 r"""Proxy of C++ IMP::GeometricPrimitiveD< -1 > class."""
396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
398 def __init__(self, *args, **kwargs):
399 raise AttributeError(
"No constructor defined")
400 __repr__ = _swig_repr
401 __swig_destroy__ = _IMP_kernel.delete__GeometricPrimitiveKD
404 _IMP_kernel._GeometricPrimitiveKD_swigregister(_GeometricPrimitiveKD)
405 class _VectorBaseKD(_GeometricPrimitiveKD):
406 r"""Proxy of C++ IMP::internal::VectorBaseD< -1 > class."""
408 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
409 __repr__ = _swig_repr
412 r"""__init__(_VectorBaseKD self) -> _VectorBaseKD"""
413 _IMP_kernel._VectorBaseKD_swiginit(self, _IMP_kernel.new__VectorBaseKD())
415 def get_scalar_product(self, o):
416 r"""get_scalar_product(_VectorBaseKD self, _VectorBaseKD o) -> double"""
417 return _IMP_kernel._VectorBaseKD_get_scalar_product(self, o)
419 def get_squared_magnitude(self):
420 r"""get_squared_magnitude(_VectorBaseKD self) -> double"""
421 return _IMP_kernel._VectorBaseKD_get_squared_magnitude(self)
423 def get_magnitude(self):
424 r"""get_magnitude(_VectorBaseKD self) -> double"""
425 return _IMP_kernel._VectorBaseKD_get_magnitude(self)
428 r"""get_distance(_VectorBaseKD self, _VectorBaseKD o) -> double"""
429 return _IMP_kernel._VectorBaseKD_get_distance(self, o)
431 def __mul__(self, o):
432 r"""__mul__(_VectorBaseKD self, _VectorBaseKD o) -> double"""
433 return _IMP_kernel._VectorBaseKD___mul__(self, o)
435 def __iadd__(self, o):
436 r"""__iadd__(_VectorBaseKD self, _VectorBaseKD o) -> _VectorBaseKD"""
437 return _IMP_kernel._VectorBaseKD___iadd__(self, o)
439 def __isub__(self, o):
440 r"""__isub__(_VectorBaseKD self, _VectorBaseKD o) -> _VectorBaseKD"""
441 return _IMP_kernel._VectorBaseKD___isub__(self, o)
443 def __itruediv__(self, *args):
444 return _IMP_kernel._VectorBaseKD___itruediv__(self, *args)
445 __idiv__ = __itruediv__
449 def __imul__(self, f):
450 r"""__imul__(_VectorBaseKD self, double f) -> _VectorBaseKD"""
451 return _IMP_kernel._VectorBaseKD___imul__(self, f)
453 def show(self, *args):
455 show(_VectorBaseKD self, _ostream out, std::string delim, bool parens=True)
456 show(_VectorBaseKD self, _ostream out=std::cout)
458 return _IMP_kernel._VectorBaseKD_show(self, *args)
460 def get_dimension(self):
461 r"""get_dimension(_VectorBaseKD self) -> unsigned int"""
462 return _IMP_kernel._VectorBaseKD_get_dimension(self)
463 __swig_destroy__ = _IMP_kernel.delete__VectorBaseKD
466 _IMP_kernel._VectorBaseKD_swigregister(_VectorBaseKD)
467 class _VectorBase1D(_GeometricPrimitive1D):
468 r"""Proxy of C++ IMP::internal::VectorBaseD< 1 > class."""
470 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
471 __repr__ = _swig_repr
474 r"""__init__(_VectorBase1D self) -> _VectorBase1D"""
475 _IMP_kernel._VectorBase1D_swiginit(self, _IMP_kernel.new__VectorBase1D())
477 def get_scalar_product(self, o):
478 r"""get_scalar_product(_VectorBase1D self, _VectorBase1D o) -> double"""
479 return _IMP_kernel._VectorBase1D_get_scalar_product(self, o)
481 def get_squared_magnitude(self):
482 r"""get_squared_magnitude(_VectorBase1D self) -> double"""
483 return _IMP_kernel._VectorBase1D_get_squared_magnitude(self)
485 def get_magnitude(self):
486 r"""get_magnitude(_VectorBase1D self) -> double"""
487 return _IMP_kernel._VectorBase1D_get_magnitude(self)
490 r"""get_distance(_VectorBase1D self, _VectorBase1D o) -> double"""
491 return _IMP_kernel._VectorBase1D_get_distance(self, o)
493 def __mul__(self, o):
494 r"""__mul__(_VectorBase1D self, _VectorBase1D o) -> double"""
495 return _IMP_kernel._VectorBase1D___mul__(self, o)
497 def __iadd__(self, o):
498 r"""__iadd__(_VectorBase1D self, _VectorBase1D o) -> _VectorBase1D"""
499 return _IMP_kernel._VectorBase1D___iadd__(self, o)
501 def __isub__(self, o):
502 r"""__isub__(_VectorBase1D self, _VectorBase1D o) -> _VectorBase1D"""
503 return _IMP_kernel._VectorBase1D___isub__(self, o)
505 def __itruediv__(self, *args):
506 return _IMP_kernel._VectorBase1D___itruediv__(self, *args)
507 __idiv__ = __itruediv__
511 def __imul__(self, f):
512 r"""__imul__(_VectorBase1D self, double f) -> _VectorBase1D"""
513 return _IMP_kernel._VectorBase1D___imul__(self, f)
515 def show(self, *args):
517 show(_VectorBase1D self, _ostream out, std::string delim, bool parens=True)
518 show(_VectorBase1D self, _ostream out=std::cout)
520 return _IMP_kernel._VectorBase1D_show(self, *args)
522 def get_dimension(self):
523 r"""get_dimension(_VectorBase1D self) -> unsigned int"""
524 return _IMP_kernel._VectorBase1D_get_dimension(self)
525 __swig_destroy__ = _IMP_kernel.delete__VectorBase1D
528 _IMP_kernel._VectorBase1D_swigregister(_VectorBase1D)
529 class _VectorBase2D(_GeometricPrimitive2D):
530 r"""Proxy of C++ IMP::internal::VectorBaseD< 2 > class."""
532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
533 __repr__ = _swig_repr
536 r"""__init__(_VectorBase2D self) -> _VectorBase2D"""
537 _IMP_kernel._VectorBase2D_swiginit(self, _IMP_kernel.new__VectorBase2D())
539 def get_scalar_product(self, o):
540 r"""get_scalar_product(_VectorBase2D self, _VectorBase2D o) -> double"""
541 return _IMP_kernel._VectorBase2D_get_scalar_product(self, o)
543 def get_squared_magnitude(self):
544 r"""get_squared_magnitude(_VectorBase2D self) -> double"""
545 return _IMP_kernel._VectorBase2D_get_squared_magnitude(self)
547 def get_magnitude(self):
548 r"""get_magnitude(_VectorBase2D self) -> double"""
549 return _IMP_kernel._VectorBase2D_get_magnitude(self)
552 r"""get_distance(_VectorBase2D self, _VectorBase2D o) -> double"""
553 return _IMP_kernel._VectorBase2D_get_distance(self, o)
555 def __mul__(self, o):
556 r"""__mul__(_VectorBase2D self, _VectorBase2D o) -> double"""
557 return _IMP_kernel._VectorBase2D___mul__(self, o)
559 def __iadd__(self, o):
560 r"""__iadd__(_VectorBase2D self, _VectorBase2D o) -> _VectorBase2D"""
561 return _IMP_kernel._VectorBase2D___iadd__(self, o)
563 def __isub__(self, o):
564 r"""__isub__(_VectorBase2D self, _VectorBase2D o) -> _VectorBase2D"""
565 return _IMP_kernel._VectorBase2D___isub__(self, o)
567 def __itruediv__(self, *args):
568 return _IMP_kernel._VectorBase2D___itruediv__(self, *args)
569 __idiv__ = __itruediv__
573 def __imul__(self, f):
574 r"""__imul__(_VectorBase2D self, double f) -> _VectorBase2D"""
575 return _IMP_kernel._VectorBase2D___imul__(self, f)
577 def show(self, *args):
579 show(_VectorBase2D self, _ostream out, std::string delim, bool parens=True)
580 show(_VectorBase2D self, _ostream out=std::cout)
582 return _IMP_kernel._VectorBase2D_show(self, *args)
584 def get_dimension(self):
585 r"""get_dimension(_VectorBase2D self) -> unsigned int"""
586 return _IMP_kernel._VectorBase2D_get_dimension(self)
587 __swig_destroy__ = _IMP_kernel.delete__VectorBase2D
590 _IMP_kernel._VectorBase2D_swigregister(_VectorBase2D)
591 class _VectorBase3D(_GeometricPrimitive3D):
592 r"""Proxy of C++ IMP::internal::VectorBaseD< 3 > class."""
594 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
595 __repr__ = _swig_repr
598 r"""__init__(_VectorBase3D self) -> _VectorBase3D"""
599 _IMP_kernel._VectorBase3D_swiginit(self, _IMP_kernel.new__VectorBase3D())
601 def get_scalar_product(self, o):
602 r"""get_scalar_product(_VectorBase3D self, _VectorBase3D o) -> double"""
603 return _IMP_kernel._VectorBase3D_get_scalar_product(self, o)
605 def get_squared_magnitude(self):
606 r"""get_squared_magnitude(_VectorBase3D self) -> double"""
607 return _IMP_kernel._VectorBase3D_get_squared_magnitude(self)
609 def get_magnitude(self):
610 r"""get_magnitude(_VectorBase3D self) -> double"""
611 return _IMP_kernel._VectorBase3D_get_magnitude(self)
614 r"""get_distance(_VectorBase3D self, _VectorBase3D o) -> double"""
615 return _IMP_kernel._VectorBase3D_get_distance(self, o)
617 def __mul__(self, o):
618 r"""__mul__(_VectorBase3D self, _VectorBase3D o) -> double"""
619 return _IMP_kernel._VectorBase3D___mul__(self, o)
621 def __iadd__(self, o):
622 r"""__iadd__(_VectorBase3D self, _VectorBase3D o) -> _VectorBase3D"""
623 return _IMP_kernel._VectorBase3D___iadd__(self, o)
625 def __isub__(self, o):
626 r"""__isub__(_VectorBase3D self, _VectorBase3D o) -> _VectorBase3D"""
627 return _IMP_kernel._VectorBase3D___isub__(self, o)
629 def __itruediv__(self, *args):
630 return _IMP_kernel._VectorBase3D___itruediv__(self, *args)
631 __idiv__ = __itruediv__
635 def __imul__(self, f):
636 r"""__imul__(_VectorBase3D self, double f) -> _VectorBase3D"""
637 return _IMP_kernel._VectorBase3D___imul__(self, f)
639 def show(self, *args):
641 show(_VectorBase3D self, _ostream out, std::string delim, bool parens=True)
642 show(_VectorBase3D self, _ostream out=std::cout)
644 return _IMP_kernel._VectorBase3D_show(self, *args)
646 def get_dimension(self):
647 r"""get_dimension(_VectorBase3D self) -> unsigned int"""
648 return _IMP_kernel._VectorBase3D_get_dimension(self)
649 __swig_destroy__ = _IMP_kernel.delete__VectorBase3D
652 _IMP_kernel._VectorBase3D_swigregister(_VectorBase3D)
653 class _VectorBase4D(_GeometricPrimitive4D):
654 r"""Proxy of C++ IMP::internal::VectorBaseD< 4 > class."""
656 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
657 __repr__ = _swig_repr
660 r"""__init__(_VectorBase4D self) -> _VectorBase4D"""
661 _IMP_kernel._VectorBase4D_swiginit(self, _IMP_kernel.new__VectorBase4D())
663 def get_scalar_product(self, o):
664 r"""get_scalar_product(_VectorBase4D self, _VectorBase4D o) -> double"""
665 return _IMP_kernel._VectorBase4D_get_scalar_product(self, o)
667 def get_squared_magnitude(self):
668 r"""get_squared_magnitude(_VectorBase4D self) -> double"""
669 return _IMP_kernel._VectorBase4D_get_squared_magnitude(self)
671 def get_magnitude(self):
672 r"""get_magnitude(_VectorBase4D self) -> double"""
673 return _IMP_kernel._VectorBase4D_get_magnitude(self)
676 r"""get_distance(_VectorBase4D self, _VectorBase4D o) -> double"""
677 return _IMP_kernel._VectorBase4D_get_distance(self, o)
679 def __mul__(self, o):
680 r"""__mul__(_VectorBase4D self, _VectorBase4D o) -> double"""
681 return _IMP_kernel._VectorBase4D___mul__(self, o)
683 def __iadd__(self, o):
684 r"""__iadd__(_VectorBase4D self, _VectorBase4D o) -> _VectorBase4D"""
685 return _IMP_kernel._VectorBase4D___iadd__(self, o)
687 def __isub__(self, o):
688 r"""__isub__(_VectorBase4D self, _VectorBase4D o) -> _VectorBase4D"""
689 return _IMP_kernel._VectorBase4D___isub__(self, o)
691 def __itruediv__(self, *args):
692 return _IMP_kernel._VectorBase4D___itruediv__(self, *args)
693 __idiv__ = __itruediv__
697 def __imul__(self, f):
698 r"""__imul__(_VectorBase4D self, double f) -> _VectorBase4D"""
699 return _IMP_kernel._VectorBase4D___imul__(self, f)
701 def show(self, *args):
703 show(_VectorBase4D self, _ostream out, std::string delim, bool parens=True)
704 show(_VectorBase4D self, _ostream out=std::cout)
706 return _IMP_kernel._VectorBase4D_show(self, *args)
708 def get_dimension(self):
709 r"""get_dimension(_VectorBase4D self) -> unsigned int"""
710 return _IMP_kernel._VectorBase4D_get_dimension(self)
711 __swig_destroy__ = _IMP_kernel.delete__VectorBase4D
714 _IMP_kernel._VectorBase4D_swigregister(_VectorBase4D)
715 class _VectorBase5D(_GeometricPrimitive5D):
716 r"""Proxy of C++ IMP::internal::VectorBaseD< 5 > class."""
718 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
719 __repr__ = _swig_repr
722 r"""__init__(_VectorBase5D self) -> _VectorBase5D"""
723 _IMP_kernel._VectorBase5D_swiginit(self, _IMP_kernel.new__VectorBase5D())
725 def get_scalar_product(self, o):
726 r"""get_scalar_product(_VectorBase5D self, _VectorBase5D o) -> double"""
727 return _IMP_kernel._VectorBase5D_get_scalar_product(self, o)
729 def get_squared_magnitude(self):
730 r"""get_squared_magnitude(_VectorBase5D self) -> double"""
731 return _IMP_kernel._VectorBase5D_get_squared_magnitude(self)
733 def get_magnitude(self):
734 r"""get_magnitude(_VectorBase5D self) -> double"""
735 return _IMP_kernel._VectorBase5D_get_magnitude(self)
738 r"""get_distance(_VectorBase5D self, _VectorBase5D o) -> double"""
739 return _IMP_kernel._VectorBase5D_get_distance(self, o)
741 def __mul__(self, o):
742 r"""__mul__(_VectorBase5D self, _VectorBase5D o) -> double"""
743 return _IMP_kernel._VectorBase5D___mul__(self, o)
745 def __iadd__(self, o):
746 r"""__iadd__(_VectorBase5D self, _VectorBase5D o) -> _VectorBase5D"""
747 return _IMP_kernel._VectorBase5D___iadd__(self, o)
749 def __isub__(self, o):
750 r"""__isub__(_VectorBase5D self, _VectorBase5D o) -> _VectorBase5D"""
751 return _IMP_kernel._VectorBase5D___isub__(self, o)
753 def __itruediv__(self, *args):
754 return _IMP_kernel._VectorBase5D___itruediv__(self, *args)
755 __idiv__ = __itruediv__
759 def __imul__(self, f):
760 r"""__imul__(_VectorBase5D self, double f) -> _VectorBase5D"""
761 return _IMP_kernel._VectorBase5D___imul__(self, f)
763 def show(self, *args):
765 show(_VectorBase5D self, _ostream out, std::string delim, bool parens=True)
766 show(_VectorBase5D self, _ostream out=std::cout)
768 return _IMP_kernel._VectorBase5D_show(self, *args)
770 def get_dimension(self):
771 r"""get_dimension(_VectorBase5D self) -> unsigned int"""
772 return _IMP_kernel._VectorBase5D_get_dimension(self)
773 __swig_destroy__ = _IMP_kernel.delete__VectorBase5D
776 _IMP_kernel._VectorBase5D_swigregister(_VectorBase5D)
777 class _VectorBase6D(_GeometricPrimitive6D):
778 r"""Proxy of C++ IMP::internal::VectorBaseD< 6 > class."""
780 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
781 __repr__ = _swig_repr
784 r"""__init__(_VectorBase6D self) -> _VectorBase6D"""
785 _IMP_kernel._VectorBase6D_swiginit(self, _IMP_kernel.new__VectorBase6D())
787 def get_scalar_product(self, o):
788 r"""get_scalar_product(_VectorBase6D self, _VectorBase6D o) -> double"""
789 return _IMP_kernel._VectorBase6D_get_scalar_product(self, o)
791 def get_squared_magnitude(self):
792 r"""get_squared_magnitude(_VectorBase6D self) -> double"""
793 return _IMP_kernel._VectorBase6D_get_squared_magnitude(self)
795 def get_magnitude(self):
796 r"""get_magnitude(_VectorBase6D self) -> double"""
797 return _IMP_kernel._VectorBase6D_get_magnitude(self)
800 r"""get_distance(_VectorBase6D self, _VectorBase6D o) -> double"""
801 return _IMP_kernel._VectorBase6D_get_distance(self, o)
803 def __mul__(self, o):
804 r"""__mul__(_VectorBase6D self, _VectorBase6D o) -> double"""
805 return _IMP_kernel._VectorBase6D___mul__(self, o)
807 def __iadd__(self, o):
808 r"""__iadd__(_VectorBase6D self, _VectorBase6D o) -> _VectorBase6D"""
809 return _IMP_kernel._VectorBase6D___iadd__(self, o)
811 def __isub__(self, o):
812 r"""__isub__(_VectorBase6D self, _VectorBase6D o) -> _VectorBase6D"""
813 return _IMP_kernel._VectorBase6D___isub__(self, o)
815 def __itruediv__(self, *args):
816 return _IMP_kernel._VectorBase6D___itruediv__(self, *args)
817 __idiv__ = __itruediv__
821 def __imul__(self, f):
822 r"""__imul__(_VectorBase6D self, double f) -> _VectorBase6D"""
823 return _IMP_kernel._VectorBase6D___imul__(self, f)
825 def show(self, *args):
827 show(_VectorBase6D self, _ostream out, std::string delim, bool parens=True)
828 show(_VectorBase6D self, _ostream out=std::cout)
830 return _IMP_kernel._VectorBase6D_show(self, *args)
832 def get_dimension(self):
833 r"""get_dimension(_VectorBase6D self) -> unsigned int"""
834 return _IMP_kernel._VectorBase6D_get_dimension(self)
835 __swig_destroy__ = _IMP_kernel.delete__VectorBase6D
838 _IMP_kernel._VectorBase6D_swigregister(_VectorBase6D)
839 class _InputAdaptor(object):
840 r"""Proxy of C++ IMP::InputAdaptor class."""
842 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
844 def __init__(self, *args, **kwargs):
845 raise AttributeError(
"No constructor defined")
846 __repr__ = _swig_repr
848 def __getstate__(self):
849 raise NotImplementedError(str(self.__class__)
850 +
" does not support serialization")
852 __swig_destroy__ = _IMP_kernel.delete__InputAdaptor
855 _IMP_kernel._InputAdaptor_swigregister(_InputAdaptor)
856 class _NonCopyable(object):
857 r"""Proxy of C++ IMP::NonCopyable class."""
859 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
861 def __init__(self, *args, **kwargs):
862 raise AttributeError(
"No constructor defined")
863 __repr__ = _swig_repr
864 __swig_destroy__ = _IMP_kernel.delete__NonCopyable
867 _IMP_kernel._NonCopyable_swigregister(_NonCopyable)
868 class _RAII(_NonCopyable):
869 r"""Proxy of C++ IMP::RAII class."""
871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
873 def __init__(self, *args, **kwargs):
874 raise AttributeError(
"No constructor defined")
875 __repr__ = _swig_repr
876 __swig_destroy__ = _IMP_kernel.delete__RAII
879 _IMP_kernel._RAII_swigregister(_RAII)
880 class _Value(object):
881 r"""Proxy of C++ IMP::Value class."""
883 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
885 def __init__(self, *args, **kwargs):
886 raise AttributeError(
"No constructor defined")
887 __repr__ = _swig_repr
889 def __getstate__(self):
890 raise NotImplementedError(str(self.__class__)
891 +
" does not support serialization")
893 __swig_destroy__ = _IMP_kernel.delete__Value
896 _IMP_kernel._Value_swigregister(_Value)
899 r"""get_executable_name() -> std::string"""
900 return _IMP_kernel.get_executable_name()
904 setup_from_argv(IMP::Strings const & argv, std::string description)
905 setup_from_argv(IMP::Strings const & argv, std::string description, std::string positional_description, int num_positional) -> IMP::Strings
907 return _IMP_kernel.setup_from_argv(*args)
910 r"""add_string_flag(std::string name, std::string default_value, std::string description)"""
911 return _IMP_kernel.add_string_flag(name, default_value, description)
914 r"""get_string_flag(std::string name) -> std::string"""
915 return _IMP_kernel.get_string_flag(name)
918 r"""add_int_flag(std::string name, size_t default_value, std::string description)"""
919 return _IMP_kernel.add_int_flag(name, default_value, description)
922 r"""get_int_flag(std::string name) -> size_t"""
923 return _IMP_kernel.get_int_flag(name)
926 r"""add_bool_flag(std::string name, std::string description)"""
927 return _IMP_kernel.add_bool_flag(name, description)
930 r"""get_bool_flag(std::string name) -> bool"""
931 return _IMP_kernel.get_bool_flag(name)
934 r"""add_float_flag(std::string name, double default_value, std::string description)"""
935 return _IMP_kernel.add_float_flag(name, default_value, description)
938 r"""get_float_flag(std::string name) -> double"""
939 return _IMP_kernel.get_float_flag(name)
942 r"""write_help(_ostream out=std::cerr)"""
943 return _IMP_kernel.write_help(*args)
946 r"""get_is_quick_test() -> bool"""
947 return _IMP_kernel.get_is_quick_test()
948 DEFAULT = _IMP_kernel.DEFAULT
950 SILENT = _IMP_kernel.SILENT
952 WARNING = _IMP_kernel.WARNING
954 PROGRESS = _IMP_kernel.PROGRESS
956 TERSE = _IMP_kernel.TERSE
958 VERBOSE = _IMP_kernel.VERBOSE
960 MEMORY = _IMP_kernel.MEMORY
962 ALL_LOG = _IMP_kernel.ALL_LOG
964 class VersionInfo(_Value):
965 r"""Proxy of C++ IMP::VersionInfo class."""
967 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
969 def __init__(self, *args):
971 __init__(VersionInfo self, std::string module, std::string version) -> VersionInfo
972 __init__(VersionInfo self) -> VersionInfo
974 _IMP_kernel.VersionInfo_swiginit(self, _IMP_kernel.new_VersionInfo(*args))
976 def get_module(self):
977 r"""get_module(VersionInfo self) -> std::string"""
978 return _IMP_kernel.VersionInfo_get_module(self)
980 def get_version(self):
981 r"""get_version(VersionInfo self) -> std::string"""
982 return _IMP_kernel.VersionInfo_get_version(self)
984 def show(self, *args):
985 r"""show(VersionInfo self, _ostream out=std::cout)"""
986 return _IMP_kernel.VersionInfo_show(self, *args)
988 def __cmp__(self, o):
989 r"""__cmp__(VersionInfo self, VersionInfo o) -> int"""
990 return _IMP_kernel.VersionInfo___cmp__(self, o)
993 r"""__eq__(VersionInfo self, VersionInfo o) -> bool"""
994 return _IMP_kernel.VersionInfo___eq__(self, o)
997 r"""__ne__(VersionInfo self, VersionInfo o) -> bool"""
998 return _IMP_kernel.VersionInfo___ne__(self, o)
1000 def __lt__(self, o):
1001 r"""__lt__(VersionInfo self, VersionInfo o) -> bool"""
1002 return _IMP_kernel.VersionInfo___lt__(self, o)
1004 def __gt__(self, o):
1005 r"""__gt__(VersionInfo self, VersionInfo o) -> bool"""
1006 return _IMP_kernel.VersionInfo___gt__(self, o)
1008 def __ge__(self, o):
1009 r"""__ge__(VersionInfo self, VersionInfo o) -> bool"""
1010 return _IMP_kernel.VersionInfo___ge__(self, o)
1012 def __le__(self, o):
1013 r"""__le__(VersionInfo self, VersionInfo o) -> bool"""
1014 return _IMP_kernel.VersionInfo___le__(self, o)
1017 r"""__str__(VersionInfo self) -> std::string"""
1018 return _IMP_kernel.VersionInfo___str__(self)
1021 r"""__repr__(VersionInfo self) -> std::string"""
1022 return _IMP_kernel.VersionInfo___repr__(self)
1024 def _get_as_binary(self):
1025 r"""_get_as_binary(VersionInfo self) -> PyObject *"""
1026 return _IMP_kernel.VersionInfo__get_as_binary(self)
1028 def _set_from_binary(self, p):
1029 r"""_set_from_binary(VersionInfo self, PyObject * p)"""
1030 return _IMP_kernel.VersionInfo__set_from_binary(self, p)
1032 def __getstate__(self):
1033 p = self._get_as_binary()
1034 if len(self.__dict__) > 1:
1035 d = self.__dict__.copy()
1040 def __setstate__(self, p):
1041 if not hasattr(self,
'this'):
1043 if isinstance(p, tuple):
1045 self.__dict__.update(d)
1046 return self._set_from_binary(p)
1048 __swig_destroy__ = _IMP_kernel.delete_VersionInfo
1051 _IMP_kernel.VersionInfo_swigregister(VersionInfo)
1052 class TextOutput(_InputAdaptor):
1053 r"""Proxy of C++ IMP::TextOutput class."""
1055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1056 __repr__ = _swig_repr
1058 def __init__(self, *args):
1060 __init__(TextOutput self, int arg2) -> TextOutput
1061 __init__(TextOutput self, double arg2) -> TextOutput
1062 __init__(TextOutput self, char const * c, bool append=False) -> TextOutput
1063 __init__(TextOutput self, IMP::TextProxy< std::ostream > p) -> TextOutput
1064 __init__(TextOutput self) -> TextOutput
1065 __init__(TextOutput self, std::string file_name, bool append=False) -> TextOutput
1067 _IMP_kernel.TextOutput_swiginit(self, _IMP_kernel.new_TextOutput(*args))
1069 def show(self, *args):
1070 r"""show(TextOutput self, _ostream out=std::cout)"""
1071 return _IMP_kernel.TextOutput_show(self, *args)
1074 r"""get_name(TextOutput self) -> std::string"""
1075 return _IMP_kernel.TextOutput_get_name(self)
1076 __swig_destroy__ = _IMP_kernel.delete_TextOutput
1079 _IMP_kernel.TextOutput_swigregister(TextOutput)
1080 class TextInput(_InputAdaptor):
1081 r"""Proxy of C++ IMP::TextInput class."""
1083 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1084 __repr__ = _swig_repr
1086 def __init__(self, *args):
1088 __init__(TextInput self, int arg2) -> TextInput
1089 __init__(TextInput self, double arg2) -> TextInput
1090 __init__(TextInput self, char const * c) -> TextInput
1091 __init__(TextInput self, IMP::TextProxy< std::istream > p) -> TextInput
1092 __init__(TextInput self) -> TextInput
1093 __init__(TextInput self, std::string file_name) -> TextInput
1095 _IMP_kernel.TextInput_swiginit(self, _IMP_kernel.new_TextInput(*args))
1097 def show(self, *args):
1098 r"""show(TextInput self, _ostream out=std::cout)"""
1099 return _IMP_kernel.TextInput_show(self, *args)
1102 r"""get_name(TextInput self) -> std::string"""
1103 return _IMP_kernel.TextInput_get_name(self)
1105 def set_binary_open_mode(self, binary):
1106 r"""set_binary_open_mode(TextInput self, bool binary)"""
1107 return _IMP_kernel.TextInput_set_binary_open_mode(self, binary)
1108 __swig_destroy__ = _IMP_kernel.delete_TextInput
1111 _IMP_kernel.TextInput_swigregister(TextInput)
1112 class SetLogTarget(_RAII):
1113 r"""Proxy of C++ IMP::SetLogTarget class."""
1115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1117 def __init__(self, *args):
1119 __init__(SetLogTarget self) -> SetLogTarget
1120 __init__(SetLogTarget self, TextOutput to) -> SetLogTarget
1122 _IMP_kernel.SetLogTarget_swiginit(self, _IMP_kernel.new_SetLogTarget(*args))
1125 r"""set(SetLogTarget self, TextOutput to)"""
1126 return _IMP_kernel.SetLogTarget_set(self, to)
1129 r"""reset(SetLogTarget self)"""
1130 return _IMP_kernel.SetLogTarget_reset(self)
1131 __swig_destroy__ = _IMP_kernel.delete_SetLogTarget
1133 def show(self, *args):
1134 r"""show(SetLogTarget self, _ostream out=std::cout)"""
1135 return _IMP_kernel.SetLogTarget_show(self, *args)
1137 def __enter__(self):
1139 def __exit__(self, exc_type, exc_val, exc_tb):
1145 r"""__str__(SetLogTarget self) -> std::string"""
1146 return _IMP_kernel.SetLogTarget___str__(self)
1149 r"""__repr__(SetLogTarget self) -> std::string"""
1150 return _IMP_kernel.SetLogTarget___repr__(self)
1153 _IMP_kernel.SetLogTarget_swigregister(SetLogTarget)
1156 r"""create_temporary_file(std::string prefix="imp_temp", std::string suffix="") -> TextOutput"""
1157 return _IMP_kernel.create_temporary_file(*args)
1160 r"""create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="") -> std::string"""
1161 return _IMP_kernel.create_temporary_file_name(*args)
1164 r"""get_relative_path(std::string base, std::string relative) -> std::string"""
1165 return _IMP_kernel.get_relative_path(base, relative)
1168 r"""get_absolute_path(std::string file) -> std::string"""
1169 return _IMP_kernel.get_absolute_path(file)
1171 def push_log_context(functionname, object):
1172 r"""push_log_context(char const * functionname, void const * object)"""
1173 return _IMP_kernel.push_log_context(functionname, object)
1175 def pop_log_context():
1176 r"""pop_log_context()"""
1177 return _IMP_kernel.pop_log_context()
1181 add_to_log(std::string to_write)
1182 add_to_log(IMP::LogLevel level, std::string to_write)
1184 return _IMP_kernel.add_to_log(*args)
1187 r"""set_log_level(IMP::LogLevel l)"""
1188 return _IMP_kernel.set_log_level(l)
1191 r"""set_log_timer(bool tb)"""
1192 return _IMP_kernel.set_log_timer(tb)
1195 r"""reset_log_timer()"""
1196 return _IMP_kernel.reset_log_timer()
1199 r"""get_log_level() -> IMP::LogLevel"""
1200 return _IMP_kernel.get_log_level()
1203 r"""set_progress_display(std::string description, unsigned int steps)"""
1204 return _IMP_kernel.set_progress_display(description, steps)
1207 r"""add_to_progress_display(unsigned int step=1)"""
1208 return _IMP_kernel.add_to_progress_display(step)
1209 class Object(_NonCopyable):
1210 r"""Proxy of C++ IMP::Object class."""
1212 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1214 def __init__(self, name):
1215 r"""__init__(Object self, std::string name) -> Object"""
1216 if self.__class__ == Object:
1220 _IMP_kernel.Object_swiginit(self, _IMP_kernel.new_Object(_self, name))
1222 if self.__class__ != Object:
1223 _director_objects.register(self)
1227 __swig_destroy__ = _IMP_kernel.delete_Object
1230 r"""__hash__(Object self) -> std::size_t"""
1231 return _IMP_kernel.Object___hash__(self)
1234 r"""set_log_level(Object self, IMP::LogLevel l)"""
1235 return _IMP_kernel.Object_set_log_level(self, l)
1238 r"""set_check_level(Object self, IMP::CheckLevel l)"""
1239 return _IMP_kernel.Object_set_check_level(self, l)
1242 r"""get_log_level(Object self) -> IMP::LogLevel"""
1243 return _IMP_kernel.Object_get_log_level(self)
1246 r"""get_check_level(Object self) -> IMP::CheckLevel"""
1247 return _IMP_kernel.Object_get_check_level(self)
1249 def get_version_info(self):
1250 r"""get_version_info(Object self) -> VersionInfo"""
1251 val = _IMP_kernel.Object_get_version_info(self)
1252 if val.get_module() ==
'none':
1259 r"""get_name(Object self) -> std::string const &"""
1260 return _IMP_kernel.Object_get_name(self)
1262 def set_name(self, name):
1263 r"""set_name(Object self, std::string name)"""
1264 return _IMP_kernel.Object_set_name(self, name)
1266 def get_type_name(self):
1267 r"""get_type_name(Object self) -> std::string"""
1268 val = _IMP_kernel.Object_get_type_name(self)
1269 if val ==
'unknown object type':
1270 val = self.__class__.__name__
1273 def set_was_used(self, tf):
1274 r"""set_was_used(Object self, bool tf)"""
1275 return _IMP_kernel.Object_set_was_used(self, tf)
1277 def show(self, *args):
1278 r"""show(Object self, _ostream out=std::cout)"""
1279 return _IMP_kernel.Object_show(self, *args)
1281 def get_string(self):
1282 r"""get_string(Object self) -> std::string"""
1283 return _IMP_kernel.Object_get_string(self)
1285 def _on_destruction(self):
1286 r"""_on_destruction(Object self)"""
1287 return _IMP_kernel.Object__on_destruction(self)
1289 def get_is_valid(self):
1290 r"""get_is_valid(Object self) -> bool"""
1291 return _IMP_kernel.Object_get_is_valid(self)
1293 def get_ref_count(self):
1294 r"""get_ref_count(Object self) -> unsigned int"""
1295 return _IMP_kernel.Object_get_ref_count(self)
1298 def get_number_of_live_objects():
1299 r"""get_number_of_live_objects() -> unsigned int"""
1300 return _IMP_kernel.Object_get_number_of_live_objects()
1302 def get_is_shared(self):
1303 r"""get_is_shared(Object self) -> bool"""
1304 return _IMP_kernel.Object_get_is_shared(self)
1306 def clear_caches(self):
1307 r"""clear_caches(Object self)"""
1308 return _IMP_kernel.Object_clear_caches(self)
1310 def do_destroy(self):
1311 r"""do_destroy(Object self)"""
1312 return _IMP_kernel.Object_do_destroy(self)
1314 def __getstate__(self):
1315 raise NotImplementedError(str(self.__class__)
1316 +
" does not support serialization")
1319 def __eq__(self, o):
1320 r"""__eq__(Object self, Object o) -> bool"""
1321 return _IMP_kernel.Object___eq__(self, o)
1323 def __ne__(self, o):
1324 r"""__ne__(Object self, Object o) -> bool"""
1325 return _IMP_kernel.Object___ne__(self, o)
1327 def __le__(self, o):
1328 r"""__le__(Object self, Object o) -> bool"""
1329 return _IMP_kernel.Object___le__(self, o)
1331 def __lt__(self, o):
1332 r"""__lt__(Object self, Object o) -> bool"""
1333 return _IMP_kernel.Object___lt__(self, o)
1335 def __ge__(self, o):
1336 r"""__ge__(Object self, Object o) -> bool"""
1337 return _IMP_kernel.Object___ge__(self, o)
1339 def __gt__(self, o):
1340 r"""__gt__(Object self, Object o) -> bool"""
1341 return _IMP_kernel.Object___gt__(self, o)
1343 def _get_director_object(self):
1344 r"""_get_director_object(Object self) -> PyObject *"""
1345 return _IMP_kernel.Object__get_director_object(self)
1348 """Return this object cast to the most derived subclass."""
1350 pyobj = self._get_director_object()
1351 if pyobj
is not None:
1355 modname = self.get_version_info().get_module().replace(
'::',
'.')
1356 type_name = self.get_type_name()
1357 if (modname ==
'IMP.core'
1358 and type_name ==
'GenericBoundingBox3DSingletonScore'):
1359 type_name =
'BoundingBox3DSingletonScore'
1360 elif (modname ==
'IMP.core'
1361 and type_name ==
'GenericAttributeSingletonScore'):
1362 type_name =
'AttributeSingletonScore'
1363 elif (modname ==
'IMP.core'
1364 and type_name ==
'GenericBoundingSphere3DSingletonScore'):
1365 type_name =
'BoundingSphere3DSingletonScore'
1366 elif modname ==
'IMP' and type_name ==
'RestraintScoringFunction':
1370 elif modname ==
'IMP' and type_name ==
'GenericRestraintsScoringFunction':
1372 if self.get_single_restraint():
1375 type_name =
'_RestraintsScoringFunction'
1376 modobj = sys.modules[modname]
1377 clsobj = getattr(modobj, type_name)
1378 return clsobj.get_from(self)
1382 r"""__str__(Object self) -> std::string"""
1383 return _IMP_kernel.Object___str__(self)
1386 r"""__repr__(Object self) -> std::string"""
1387 return _IMP_kernel.Object___repr__(self)
1391 return _object_cast_to_Object(o)
1393 def __disown__(self):
1395 _IMP_kernel.disown_Object(self)
1396 return weakref.proxy(self)
1399 _IMP_kernel.Object_swigregister(Object)
1400 class SetLogState(_RAII):
1401 r"""Proxy of C++ IMP::SetLogState class."""
1403 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1406 r"""reset(SetLogState self)"""
1407 return _IMP_kernel.SetLogState_reset(self)
1408 __swig_destroy__ = _IMP_kernel.delete_SetLogState
1410 def show(self, *args):
1411 r"""show(SetLogState self, _ostream out=std::cout)"""
1412 return _IMP_kernel.SetLogState_show(self, *args)
1414 def __init__(self, *args):
1416 __init__(SetLogState self) -> SetLogState
1417 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
1418 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
1420 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
1422 def set(self, *args):
1424 set(SetLogState self, Object o, IMP::LogLevel l)
1425 set(SetLogState self, IMP::LogLevel l)
1427 return _IMP_kernel.SetLogState_set(self, *args)
1429 def __enter__(self):
1431 def __exit__(self, exc_type, exc_val, exc_tb):
1437 r"""__str__(SetLogState self) -> std::string"""
1438 return _IMP_kernel.SetLogState___str__(self)
1441 r"""__repr__(SetLogState self) -> std::string"""
1442 return _IMP_kernel.SetLogState___repr__(self)
1445 _IMP_kernel.SetLogState_swigregister(SetLogState)
1446 class WarningContext(object):
1447 r"""Proxy of C++ IMP::WarningContext class."""
1449 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1450 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
1452 def add_warning(self, key, warning):
1453 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
1454 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
1456 def clear_warnings(self):
1457 r"""clear_warnings(WarningContext self)"""
1458 return _IMP_kernel.WarningContext_clear_warnings(self)
1460 def dump_warnings(self):
1461 r"""dump_warnings(WarningContext self)"""
1462 return _IMP_kernel.WarningContext_dump_warnings(self)
1463 __swig_destroy__ = _IMP_kernel.delete_WarningContext
1465 def show(self, *args):
1466 r"""show(WarningContext self, _ostream out=std::cout)"""
1467 return _IMP_kernel.WarningContext_show(self, *args)
1469 def __enter__(self):
1471 def __exit__(self, exc_type, exc_val, exc_tb):
1477 r"""__str__(WarningContext self) -> std::string"""
1478 return _IMP_kernel.WarningContext___str__(self)
1481 r"""__repr__(WarningContext self) -> std::string"""
1482 return _IMP_kernel.WarningContext___repr__(self)
1485 r"""__init__(WarningContext self) -> WarningContext"""
1486 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
1489 _IMP_kernel.WarningContext_swigregister(WarningContext)
1490 class CreateLogContext(_RAII):
1491 r"""Proxy of C++ IMP::CreateLogContext class."""
1493 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1495 def __init__(self, *args):
1497 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
1498 __init__(CreateLogContext self) -> CreateLogContext
1499 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
1501 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
1503 def set(self, fname, object=None):
1504 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
1505 return _IMP_kernel.CreateLogContext_set(self, fname, object)
1508 r"""reset(CreateLogContext self)"""
1509 return _IMP_kernel.CreateLogContext_reset(self)
1510 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1512 def show(self, *args):
1513 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1514 return _IMP_kernel.CreateLogContext_show(self, *args)
1516 def __enter__(self):
1518 def __exit__(self, exc_type, exc_val, exc_tb):
1524 r"""__str__(CreateLogContext self) -> std::string"""
1525 return _IMP_kernel.CreateLogContext___str__(self)
1528 r"""__repr__(CreateLogContext self) -> std::string"""
1529 return _IMP_kernel.CreateLogContext___repr__(self)
1532 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1533 class SetCheckState(_RAII):
1534 r"""Proxy of C++ IMP::SetCheckState class."""
1536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1539 r"""reset(SetCheckState self)"""
1540 return _IMP_kernel.SetCheckState_reset(self)
1541 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1543 def show(self, *args):
1544 r"""show(SetCheckState self, _ostream out=std::cout)"""
1545 return _IMP_kernel.SetCheckState_show(self, *args)
1547 def __init__(self, *args):
1549 __init__(SetCheckState self) -> SetCheckState
1550 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1551 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1553 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1555 def set(self, *args):
1557 set(SetCheckState self, Object o, IMP::CheckLevel l)
1558 set(SetCheckState self, IMP::CheckLevel l)
1560 return _IMP_kernel.SetCheckState_set(self, *args)
1562 def __enter__(self):
1564 def __exit__(self, exc_type, exc_val, exc_tb):
1570 r"""__str__(SetCheckState self) -> std::string"""
1571 return _IMP_kernel.SetCheckState___str__(self)
1574 r"""__repr__(SetCheckState self) -> std::string"""
1575 return _IMP_kernel.SetCheckState___repr__(self)
1578 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1581 r"""get_unique_name(std::string templ) -> std::string"""
1582 return _IMP_kernel.get_unique_name(templ)
1585 r"""get_copyright() -> std::string"""
1586 return _IMP_kernel.get_copyright()
1587 class _Protection(object):
1588 r"""Proxy of C++ IMP::internal::_Protection class."""
1590 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1592 def __init__(self, *args, **kwargs):
1593 raise AttributeError(
"No constructor defined")
1595 def show(self, *args):
1596 r"""show(_Protection self, _ostream out=std::cout)"""
1597 return _IMP_kernel._Protection_show(self, *args)
1600 r"""__str__(_Protection self) -> std::string"""
1601 return _IMP_kernel._Protection___str__(self)
1604 r"""__repr__(_Protection self) -> std::string"""
1605 return _IMP_kernel._Protection___repr__(self)
1606 __swig_destroy__ = _IMP_kernel.delete__Protection
1609 _IMP_kernel._Protection_swigregister(_Protection)
1613 return _IMP_kernel._test_log()
1615 def _test_intranges(ips):
1616 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1617 return _IMP_kernel._test_intranges(ips)
1619 def _test_intrange(*args):
1621 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1622 _test_intrange() -> IMP::IntRange
1624 return _IMP_kernel._test_intrange(*args)
1627 r"""_test_ifile(TextInput a) -> std::string"""
1628 return _IMP_kernel._test_ifile(a)
1631 r"""_test_ofile(TextOutput a) -> std::string"""
1632 return _IMP_kernel._test_ofile(a)
1634 def _test_ifile_overloaded(*args):
1636 _test_ifile_overloaded(TextInput a, int i) -> std::string
1637 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1639 return _IMP_kernel._test_ifile_overloaded(*args)
1641 def _test_ofile_overloaded(*args):
1643 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1644 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1646 return _IMP_kernel._test_ofile_overloaded(*args)
1647 class _TestValue(object):
1648 r"""Proxy of C++ IMP::internal::_TestValue class."""
1650 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1652 def __init__(self, i):
1653 r"""__init__(_TestValue self, int i) -> _TestValue"""
1654 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1656 def show(self, *args):
1657 r"""show(_TestValue self, _ostream out=std::cout)"""
1658 return _IMP_kernel._TestValue_show(self, *args)
1660 def __cmp__(self, o):
1661 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1662 return _IMP_kernel._TestValue___cmp__(self, o)
1664 def __eq__(self, o):
1665 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1666 return _IMP_kernel._TestValue___eq__(self, o)
1668 def __ne__(self, o):
1669 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1670 return _IMP_kernel._TestValue___ne__(self, o)
1672 def __lt__(self, o):
1673 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1674 return _IMP_kernel._TestValue___lt__(self, o)
1676 def __gt__(self, o):
1677 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1678 return _IMP_kernel._TestValue___gt__(self, o)
1680 def __ge__(self, o):
1681 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1682 return _IMP_kernel._TestValue___ge__(self, o)
1684 def __le__(self, o):
1685 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1686 return _IMP_kernel._TestValue___le__(self, o)
1689 r"""get(_TestValue self) -> int"""
1690 return _IMP_kernel._TestValue_get(self)
1692 def get_float(self):
1693 r"""get_float(_TestValue self) -> float const &"""
1694 return _IMP_kernel._TestValue_get_float(self)
1696 def get_double(self):
1697 r"""get_double(_TestValue self) -> double const &"""
1698 return _IMP_kernel._TestValue_get_double(self)
1700 def get_Float(self):
1701 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1702 return _IMP_kernel._TestValue_get_Float(self)
1705 r"""get_int(_TestValue self) -> int const &"""
1706 return _IMP_kernel._TestValue_get_int(self)
1709 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1710 return _IMP_kernel._TestValue_get_Int(self)
1712 def get_string(self):
1713 r"""get_string(_TestValue self) -> std::string const &"""
1714 return _IMP_kernel._TestValue_get_string(self)
1716 def get_String(self):
1717 r"""get_String(_TestValue self) -> IMP::String const &"""
1718 return _IMP_kernel._TestValue_get_String(self)
1721 r"""__str__(_TestValue self) -> std::string"""
1722 return _IMP_kernel._TestValue___str__(self)
1725 r"""__repr__(_TestValue self) -> std::string"""
1726 return _IMP_kernel._TestValue___repr__(self)
1727 __swig_destroy__ = _IMP_kernel.delete__TestValue
1730 _IMP_kernel._TestValue_swigregister(_TestValue)
1732 def _pass_plain_pair(p):
1733 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1734 return _IMP_kernel._pass_plain_pair(p)
1736 def _pass_overloaded_strings(*args):
1738 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1739 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1741 return _IMP_kernel._pass_overloaded_strings(*args)
1744 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1745 return _IMP_kernel._pass_pair(p)
1747 def _pass_floats(input):
1748 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1749 return _IMP_kernel._pass_floats(input)
1751 def _pass_ints(input):
1752 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1753 return _IMP_kernel._pass_ints(input)
1755 def _pass_ints_list(input):
1756 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1757 return _IMP_kernel._pass_ints_list(input)
1759 def _pass_ints_lists(input):
1760 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1761 return _IMP_kernel._pass_ints_lists(input)
1763 def _pass_strings(input):
1764 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1765 return _IMP_kernel._pass_strings(input)
1766 class _TestObject(
Object):
1767 r"""Proxy of C++ IMP::internal::_TestObject class."""
1769 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1772 r"""__init__(_TestObject self) -> _TestObject"""
1773 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1776 r"""get_version_info(_TestObject self) -> VersionInfo"""
1777 return _IMP_kernel._TestObject_get_version_info(self)
1778 __swig_destroy__ = _IMP_kernel.delete__TestObject
1781 r"""__str__(_TestObject self) -> std::string"""
1782 return _IMP_kernel._TestObject___str__(self)
1785 r"""__repr__(_TestObject self) -> std::string"""
1786 return _IMP_kernel._TestObject___repr__(self)
1790 return _object_cast_to__TestObject(o)
1794 _IMP_kernel._TestObject_swigregister(_TestObject)
1797 r"""get_live_object_names() -> IMP::Strings"""
1798 return _IMP_kernel.get_live_object_names()
1801 r"""get_live_objects() -> IMP::Objects"""
1802 return _IMP_kernel.get_live_objects()
1805 r"""set_show_leaked_objects(bool tf)"""
1806 return _IMP_kernel.set_show_leaked_objects(tf)
1809 r"""set_deprecation_warnings(bool tf)"""
1810 return _IMP_kernel.set_deprecation_warnings(tf)
1813 r"""set_deprecation_exceptions(bool tf)"""
1814 return _IMP_kernel.set_deprecation_exceptions(tf)
1817 r"""get_deprecation_exceptions() -> bool"""
1818 return _IMP_kernel.get_deprecation_exceptions()
1821 r"""handle_use_deprecated(std::string message)"""
1822 return _IMP_kernel.handle_use_deprecated(message)
1825 r"""get_number_of_threads() -> unsigned int"""
1826 return _IMP_kernel.get_number_of_threads()
1829 r"""set_number_of_threads(unsigned int n)"""
1830 return _IMP_kernel.set_number_of_threads(n)
1831 class SetNumberOfThreads(_RAII):
1832 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1836 def __init__(self, *args):
1838 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1839 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1841 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1844 r"""set(SetNumberOfThreads self, unsigned int n)"""
1845 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1848 r"""reset(SetNumberOfThreads self)"""
1849 return _IMP_kernel.SetNumberOfThreads_reset(self)
1850 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1852 def show(self, *args):
1853 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1854 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1856 def __enter__(self):
1858 def __exit__(self, exc_type, exc_val, exc_tb):
1864 r"""__str__(SetNumberOfThreads self) -> std::string"""
1865 return _IMP_kernel.SetNumberOfThreads___str__(self)
1868 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1869 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1872 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1875 i_m_p=
"IMP_MODULE_PATH"
1876 if i_m_p
in os.environ.keys():
1877 __path__.insert(0, os.environ[i_m_p])
1879 def _forward_add_attribute(self, name, value, opt=None):
1881 self.get_particle().add_attribute(name, value, opt)
1883 self.get_particle().add_attribute(name, value)
1884 def _forward_get_value(self, name):
1885 self.get_particle().get_value(name)
1886 def _forward_set_value(self, name, value):
1887 self.get_particle().set_value(name, value)
1893 _object_types.append(
"Constraint")
1896 def _object_cast_to_Constraint(o):
1897 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1898 return _IMP_kernel._object_cast_to_Constraint(o)
1900 _object_types.append(
"Undecorator")
1903 def _object_cast_to_Undecorator(o):
1904 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1905 return _IMP_kernel._object_cast_to_Undecorator(o)
1907 _object_types.append(
"Container")
1910 def _object_cast_to_Container(o):
1911 r"""_object_cast_to_Container(Object o) -> Container"""
1912 return _IMP_kernel._object_cast_to_Container(o)
1914 _object_types.append(
"Optimizer")
1917 def _object_cast_to_Optimizer(o):
1918 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1919 return _IMP_kernel._object_cast_to_Optimizer(o)
1921 _object_types.append(
"AttributeOptimizer")
1924 def _object_cast_to_AttributeOptimizer(o):
1925 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1926 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1928 _object_types.append(
"OptimizerState")
1931 def _object_cast_to_OptimizerState(o):
1932 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1933 return _IMP_kernel._object_cast_to_OptimizerState(o)
1935 _object_types.append(
"PairContainer")
1938 def _object_cast_to_PairContainer(o):
1939 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1940 return _IMP_kernel._object_cast_to_PairContainer(o)
1942 _object_types.append(
"PairModifier")
1945 def _object_cast_to_PairModifier(o):
1946 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1947 return _IMP_kernel._object_cast_to_PairModifier(o)
1949 _object_types.append(
"PairScore")
1952 def _object_cast_to_PairScore(o):
1953 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1954 return _IMP_kernel._object_cast_to_PairScore(o)
1956 _object_types.append(
"QuadContainer")
1959 def _object_cast_to_QuadContainer(o):
1960 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1961 return _IMP_kernel._object_cast_to_QuadContainer(o)
1963 _object_types.append(
"QuadModifier")
1966 def _object_cast_to_QuadModifier(o):
1967 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1968 return _IMP_kernel._object_cast_to_QuadModifier(o)
1970 _object_types.append(
"QuadScore")
1973 def _object_cast_to_QuadScore(o):
1974 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1975 return _IMP_kernel._object_cast_to_QuadScore(o)
1977 _object_types.append(
"Refiner")
1980 def _object_cast_to_Refiner(o):
1981 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1982 return _IMP_kernel._object_cast_to_Refiner(o)
1984 _object_types.append(
"Restraint")
1987 def _object_cast_to_Restraint(o):
1988 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1989 return _IMP_kernel._object_cast_to_Restraint(o)
1991 _object_types.append(
"Sampler")
1994 def _object_cast_to_Sampler(o):
1995 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1996 return _IMP_kernel._object_cast_to_Sampler(o)
1998 _object_types.append(
"ScoreState")
2001 def _object_cast_to_ScoreState(o):
2002 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
2003 return _IMP_kernel._object_cast_to_ScoreState(o)
2005 _object_types.append(
"SingletonContainer")
2008 def _object_cast_to_SingletonContainer(o):
2009 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
2010 return _IMP_kernel._object_cast_to_SingletonContainer(o)
2012 _object_types.append(
"SingletonModifier")
2015 def _object_cast_to_SingletonModifier(o):
2016 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
2017 return _IMP_kernel._object_cast_to_SingletonModifier(o)
2019 _object_types.append(
"SingletonScore")
2022 def _object_cast_to_SingletonScore(o):
2023 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
2024 return _IMP_kernel._object_cast_to_SingletonScore(o)
2026 _object_types.append(
"TripletContainer")
2029 def _object_cast_to_TripletContainer(o):
2030 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
2031 return _IMP_kernel._object_cast_to_TripletContainer(o)
2033 _object_types.append(
"TripletModifier")
2036 def _object_cast_to_TripletModifier(o):
2037 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
2038 return _IMP_kernel._object_cast_to_TripletModifier(o)
2040 _object_types.append(
"TripletScore")
2043 def _object_cast_to_TripletScore(o):
2044 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
2045 return _IMP_kernel._object_cast_to_TripletScore(o)
2047 _object_types.append(
"UnaryFunction")
2050 def _object_cast_to_UnaryFunction(o):
2051 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
2052 return _IMP_kernel._object_cast_to_UnaryFunction(o)
2054 _object_types.append(
"RestraintInfo")
2057 def _object_cast_to_RestraintInfo(o):
2058 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
2059 return _IMP_kernel._object_cast_to_RestraintInfo(o)
2061 _object_types.append(
"ConfigurationSet")
2064 def _object_cast_to_ConfigurationSet(o):
2065 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
2066 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
2068 _object_types.append(
"Configuration")
2071 def _object_cast_to_Configuration(o):
2072 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
2073 return _IMP_kernel._object_cast_to_Configuration(o)
2075 _object_types.append(
"Model")
2078 def _object_cast_to_Model(o):
2079 r"""_object_cast_to_Model(Object o) -> Model"""
2080 return _IMP_kernel._object_cast_to_Model(o)
2082 _object_types.append(
"Particle")
2085 def _object_cast_to_Particle(o):
2086 r"""_object_cast_to_Particle(Object o) -> Particle"""
2087 return _IMP_kernel._object_cast_to_Particle(o)
2089 _object_types.append(
"RestraintSet")
2092 def _object_cast_to_RestraintSet(o):
2093 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
2094 return _IMP_kernel._object_cast_to_RestraintSet(o)
2096 ParticlePairsTemp=list
2097 _plural_types.append(
"ParticlePairsTemp")
2098 _value_types.append(
"ParticlePair")
2101 ParticleTripletsTemp=list
2102 _plural_types.append(
"ParticleTripletsTemp")
2103 _value_types.append(
"ParticleTriplet")
2106 ParticleQuadsTemp=list
2107 _plural_types.append(
"ParticleQuadsTemp")
2108 _value_types.append(
"ParticleQuad")
2111 ParticleIndexPairs=list
2112 _plural_types.append(
"ParticleIndexPairs")
2113 _value_types.append(
"ParticleIndexPair")
2116 ParticleIndexTriplets=list
2117 _plural_types.append(
"ParticleIndexTriplets")
2118 _value_types.append(
"ParticleIndexTriplet")
2121 ParticleIndexQuads=list
2122 _plural_types.append(
"ParticleIndexQuads")
2123 _value_types.append(
"ParticleIndexQuad")
2126 _object_types.append(
"SingletonPredicate")
2129 def _object_cast_to_SingletonPredicate(o):
2130 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
2131 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
2133 _object_types.append(
"PairPredicate")
2136 def _object_cast_to_PairPredicate(o):
2137 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
2138 return _IMP_kernel._object_cast_to_PairPredicate(o)
2140 _object_types.append(
"TripletPredicate")
2143 def _object_cast_to_TripletPredicate(o):
2144 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
2145 return _IMP_kernel._object_cast_to_TripletPredicate(o)
2147 _object_types.append(
"QuadPredicate")
2150 def _object_cast_to_QuadPredicate(o):
2151 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
2152 return _IMP_kernel._object_cast_to_QuadPredicate(o)
2154 _object_types.append(
"SaveToConfigurationSetOptimizerState")
2157 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
2158 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
2159 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
2161 EvaluationStates=list
2162 _plural_types.append(
"EvaluationStates")
2163 _value_types.append(
"EvaluationState")
2166 ScoreAccumulators=list
2167 _plural_types.append(
"ScoreAccumulators")
2168 _value_types.append(
"ScoreAccumulator")
2171 ParticleIndexes=list
2172 _plural_types.append(
"ParticleIndexes")
2173 _value_types.append(
"ParticleIndex")
2177 _plural_types.append(
"FloatIndexes")
2178 _value_types.append(
"FloatIndex")
2182 _plural_types.append(
"FloatKeys")
2183 _value_types.append(
"FloatKey")
2187 _plural_types.append(
"FloatsKeys")
2188 _value_types.append(
"FloatsKey")
2192 _plural_types.append(
"IntKeys")
2193 _value_types.append(
"IntKey")
2197 _plural_types.append(
"IntsKeys")
2198 _value_types.append(
"IntsKey")
2202 _plural_types.append(
"StringKeys")
2203 _value_types.append(
"StringKey")
2206 ParticleIndexKeys=list
2207 _plural_types.append(
"ParticleIndexKeys")
2208 _value_types.append(
"ParticleIndexKey")
2211 ParticleIndexesKeys=list
2212 _plural_types.append(
"ParticleIndexesKeys")
2213 _value_types.append(
"ParticleIndexesKey")
2217 _plural_types.append(
"ObjectKeys")
2218 _value_types.append(
"ObjectKey")
2222 _plural_types.append(
"ModelKeys")
2223 _value_types.append(
"ModelKey")
2227 _plural_types.append(
"TriggerKeys")
2228 _value_types.append(
"TriggerKey")
2231 SparseFloatKeys=list
2232 _plural_types.append(
"SparseFloatKeys")
2233 _value_types.append(
"SparseFloatKey")
2237 _plural_types.append(
"SparseIntKeys")
2238 _value_types.append(
"SparseIntKey")
2241 SparseStringKeys=list
2242 _plural_types.append(
"SparseStringKeys")
2243 _value_types.append(
"SparseStringKey")
2246 SparseParticleIndexKeys=list
2247 _plural_types.append(
"SparseParticleIndexKeys")
2248 _value_types.append(
"SparseParticleIndexKey")
2252 _plural_types.append(
"Vector3DKeys")
2253 _value_types.append(
"Vector3DKey")
2257 _plural_types.append(
"Vector4DKeys")
2258 _value_types.append(
"Vector4DKey")
2261 Vector3DDerivKeys=list
2262 _plural_types.append(
"Vector3DDerivKeys")
2263 _value_types.append(
"Vector3DDerivKey")
2266 Vector4DDerivKeys=list
2267 _plural_types.append(
"Vector4DDerivKeys")
2268 _value_types.append(
"Vector4DDerivKey")
2271 _raii_types.append(
"ScopedSetFloatAttribute")
2274 _object_types.append(
"ScoringFunction")
2277 def _object_cast_to_ScoringFunction(o):
2278 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
2279 return _IMP_kernel._object_cast_to_ScoringFunction(o)
2281 _object_types.append(
"ModelObject")
2284 def _object_cast_to_ModelObject(o):
2285 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
2286 return _IMP_kernel._object_cast_to_ModelObject(o)
2288 _object_types.append(
"_RestraintsScoringFunction")
2291 def _object_cast_to__RestraintsScoringFunction(o):
2292 r"""_object_cast_to__RestraintsScoringFunction(Object o) -> _RestraintsScoringFunction"""
2293 return _IMP_kernel._object_cast_to__RestraintsScoringFunction(o)
2295 def _TrivialDecorators(l=[]):
2296 return [_TrivialDecorator(x)
for x
in l]
2297 _plural_types.append(
"_TrivialDecorators")
2300 _value_types.append(
"_TrivialDecorator")
2303 def _TrivialDerivedDecorators(l=[]):
2304 return [_TrivialDerivedDecorator(x)
for x
in l]
2305 _plural_types.append(
"_TrivialDerivedDecorators")
2308 _value_types.append(
"_TrivialDerivedDecorator")
2311 def _TrivialTraitsDecorators(l=[]):
2312 return [_TrivialTraitsDecorator(x)
for x
in l]
2313 _plural_types.append(
"_TrivialTraitsDecorators")
2316 _value_types.append(
"_TrivialTraitsDecorator")
2319 _object_types.append(
"_ConstRestraint")
2322 def _object_cast_to__ConstRestraint(o):
2323 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
2324 return _IMP_kernel._object_cast_to__ConstRestraint(o)
2326 _object_types.append(
"_ConstOptimizer")
2329 def _object_cast_to__ConstOptimizer(o):
2330 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
2331 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
2333 _object_types.append(
"_ConstSingletonScore")
2336 def _object_cast_to__ConstSingletonScore(o):
2337 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
2338 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
2340 _object_types.append(
"_ConstPairScore")
2343 def _object_cast_to__ConstPairScore(o):
2344 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
2345 return _IMP_kernel._object_cast_to__ConstPairScore(o)
2347 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
2349 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2350 __repr__ = _swig_repr
2353 r"""__init__(DependencyGraph self) -> DependencyGraph"""
2354 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
2356 def get_graph(self):
2357 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
2358 return _IMP_kernel.DependencyGraph_get_graph(self)
2361 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2362 return _IMP_kernel.DependencyGraph_get_vertices(self)
2364 def get_vertex_name(self, i):
2365 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
2366 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
2368 def get_in_neighbors(self, v):
2369 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"""
2370 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
2372 def get_out_neighbors(self, v):
2373 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"""
2374 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
2377 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
2378 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
2380 def get_graphviz_string(self):
2381 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
2382 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
2384 def add_edge(self, v0, v1):
2385 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)"""
2386 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
2388 def add_vertex(self, l):
2389 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
2390 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
2392 def remove_vertex(self, l):
2393 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
2394 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
2395 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
2398 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
2400 _value_types.append(
"DependencyGraph")
2403 r"""Proxy of C++ IMP::Key< 0 > class."""
2405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2407 def __init__(self, *args):
2409 __init__(FloatKey self) -> FloatKey
2410 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
2411 __init__(FloatKey self, unsigned int i) -> FloatKey
2413 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
2417 r"""add_key(std::string sc) -> unsigned int"""
2418 return _IMP_kernel.FloatKey_add_key(sc)
2421 def get_key_exists(sc):
2422 r"""get_key_exists(std::string sc) -> bool"""
2423 return _IMP_kernel.FloatKey_get_key_exists(sc)
2425 def get_string(self):
2426 r"""get_string(FloatKey self) -> std::string const"""
2427 return _IMP_kernel.FloatKey_get_string(self)
2429 def __cmp__(self, o):
2430 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
2431 return _IMP_kernel.FloatKey___cmp__(self, o)
2433 def __eq__(self, o):
2434 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
2435 return _IMP_kernel.FloatKey___eq__(self, o)
2437 def __ne__(self, o):
2438 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
2439 return _IMP_kernel.FloatKey___ne__(self, o)
2441 def __lt__(self, o):
2442 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
2443 return _IMP_kernel.FloatKey___lt__(self, o)
2445 def __gt__(self, o):
2446 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
2447 return _IMP_kernel.FloatKey___gt__(self, o)
2449 def __ge__(self, o):
2450 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
2451 return _IMP_kernel.FloatKey___ge__(self, o)
2453 def __le__(self, o):
2454 r"""__le__(FloatKey self, FloatKey o) -> bool"""
2455 return _IMP_kernel.FloatKey___le__(self, o)
2458 r"""__hash__(FloatKey self) -> std::size_t"""
2459 return _IMP_kernel.FloatKey___hash__(self)
2461 def show(self, *args):
2462 r"""show(FloatKey self, _ostream out=std::cout)"""
2463 return _IMP_kernel.FloatKey_show(self, *args)
2466 def add_alias(old_key, new_name):
2467 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
2468 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
2471 def get_number_of_keys():
2472 r"""get_number_of_keys() -> unsigned int"""
2473 return _IMP_kernel.FloatKey_get_number_of_keys()
2476 r"""get_index(FloatKey self) -> unsigned int"""
2477 return _IMP_kernel.FloatKey_get_index(self)
2481 r"""show_all(_ostream out)"""
2482 return _IMP_kernel.FloatKey_show_all(out)
2485 def get_all_strings():
2486 r"""get_all_strings() -> IMP::Vector< std::string >"""
2487 return _IMP_kernel.FloatKey_get_all_strings()
2490 def get_number_unique():
2491 r"""get_number_unique() -> unsigned int"""
2492 return _IMP_kernel.FloatKey_get_number_unique()
2495 r"""__str__(FloatKey self) -> std::string"""
2496 return _IMP_kernel.FloatKey___str__(self)
2499 r"""__repr__(FloatKey self) -> std::string"""
2500 return _IMP_kernel.FloatKey___repr__(self)
2501 __swig_destroy__ = _IMP_kernel.delete_FloatKey
2504 _IMP_kernel.FloatKey_swigregister(FloatKey)
2506 r"""Proxy of C++ IMP::Key< 1 > class."""
2508 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2510 def __init__(self, *args):
2512 __init__(IntKey self) -> IntKey
2513 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
2514 __init__(IntKey self, unsigned int i) -> IntKey
2516 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
2520 r"""add_key(std::string sc) -> unsigned int"""
2521 return _IMP_kernel.IntKey_add_key(sc)
2524 def get_key_exists(sc):
2525 r"""get_key_exists(std::string sc) -> bool"""
2526 return _IMP_kernel.IntKey_get_key_exists(sc)
2528 def get_string(self):
2529 r"""get_string(IntKey self) -> std::string const"""
2530 return _IMP_kernel.IntKey_get_string(self)
2532 def __cmp__(self, o):
2533 r"""__cmp__(IntKey self, IntKey o) -> int"""
2534 return _IMP_kernel.IntKey___cmp__(self, o)
2536 def __eq__(self, o):
2537 r"""__eq__(IntKey self, IntKey o) -> bool"""
2538 return _IMP_kernel.IntKey___eq__(self, o)
2540 def __ne__(self, o):
2541 r"""__ne__(IntKey self, IntKey o) -> bool"""
2542 return _IMP_kernel.IntKey___ne__(self, o)
2544 def __lt__(self, o):
2545 r"""__lt__(IntKey self, IntKey o) -> bool"""
2546 return _IMP_kernel.IntKey___lt__(self, o)
2548 def __gt__(self, o):
2549 r"""__gt__(IntKey self, IntKey o) -> bool"""
2550 return _IMP_kernel.IntKey___gt__(self, o)
2552 def __ge__(self, o):
2553 r"""__ge__(IntKey self, IntKey o) -> bool"""
2554 return _IMP_kernel.IntKey___ge__(self, o)
2556 def __le__(self, o):
2557 r"""__le__(IntKey self, IntKey o) -> bool"""
2558 return _IMP_kernel.IntKey___le__(self, o)
2561 r"""__hash__(IntKey self) -> std::size_t"""
2562 return _IMP_kernel.IntKey___hash__(self)
2564 def show(self, *args):
2565 r"""show(IntKey self, _ostream out=std::cout)"""
2566 return _IMP_kernel.IntKey_show(self, *args)
2569 def add_alias(old_key, new_name):
2570 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2571 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2574 def get_number_of_keys():
2575 r"""get_number_of_keys() -> unsigned int"""
2576 return _IMP_kernel.IntKey_get_number_of_keys()
2579 r"""get_index(IntKey self) -> unsigned int"""
2580 return _IMP_kernel.IntKey_get_index(self)
2584 r"""show_all(_ostream out)"""
2585 return _IMP_kernel.IntKey_show_all(out)
2588 def get_all_strings():
2589 r"""get_all_strings() -> IMP::Vector< std::string >"""
2590 return _IMP_kernel.IntKey_get_all_strings()
2593 def get_number_unique():
2594 r"""get_number_unique() -> unsigned int"""
2595 return _IMP_kernel.IntKey_get_number_unique()
2598 r"""__str__(IntKey self) -> std::string"""
2599 return _IMP_kernel.IntKey___str__(self)
2602 r"""__repr__(IntKey self) -> std::string"""
2603 return _IMP_kernel.IntKey___repr__(self)
2604 __swig_destroy__ = _IMP_kernel.delete_IntKey
2607 _IMP_kernel.IntKey_swigregister(IntKey)
2609 r"""Proxy of C++ IMP::Key< 2 > class."""
2611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2613 def __init__(self, *args):
2615 __init__(StringKey self) -> StringKey
2616 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2617 __init__(StringKey self, unsigned int i) -> StringKey
2619 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2623 r"""add_key(std::string sc) -> unsigned int"""
2624 return _IMP_kernel.StringKey_add_key(sc)
2627 def get_key_exists(sc):
2628 r"""get_key_exists(std::string sc) -> bool"""
2629 return _IMP_kernel.StringKey_get_key_exists(sc)
2631 def get_string(self):
2632 r"""get_string(StringKey self) -> std::string const"""
2633 return _IMP_kernel.StringKey_get_string(self)
2635 def __cmp__(self, o):
2636 r"""__cmp__(StringKey self, StringKey o) -> int"""
2637 return _IMP_kernel.StringKey___cmp__(self, o)
2639 def __eq__(self, o):
2640 r"""__eq__(StringKey self, StringKey o) -> bool"""
2641 return _IMP_kernel.StringKey___eq__(self, o)
2643 def __ne__(self, o):
2644 r"""__ne__(StringKey self, StringKey o) -> bool"""
2645 return _IMP_kernel.StringKey___ne__(self, o)
2647 def __lt__(self, o):
2648 r"""__lt__(StringKey self, StringKey o) -> bool"""
2649 return _IMP_kernel.StringKey___lt__(self, o)
2651 def __gt__(self, o):
2652 r"""__gt__(StringKey self, StringKey o) -> bool"""
2653 return _IMP_kernel.StringKey___gt__(self, o)
2655 def __ge__(self, o):
2656 r"""__ge__(StringKey self, StringKey o) -> bool"""
2657 return _IMP_kernel.StringKey___ge__(self, o)
2659 def __le__(self, o):
2660 r"""__le__(StringKey self, StringKey o) -> bool"""
2661 return _IMP_kernel.StringKey___le__(self, o)
2664 r"""__hash__(StringKey self) -> std::size_t"""
2665 return _IMP_kernel.StringKey___hash__(self)
2667 def show(self, *args):
2668 r"""show(StringKey self, _ostream out=std::cout)"""
2669 return _IMP_kernel.StringKey_show(self, *args)
2672 def add_alias(old_key, new_name):
2673 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2674 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2677 def get_number_of_keys():
2678 r"""get_number_of_keys() -> unsigned int"""
2679 return _IMP_kernel.StringKey_get_number_of_keys()
2682 r"""get_index(StringKey self) -> unsigned int"""
2683 return _IMP_kernel.StringKey_get_index(self)
2687 r"""show_all(_ostream out)"""
2688 return _IMP_kernel.StringKey_show_all(out)
2691 def get_all_strings():
2692 r"""get_all_strings() -> IMP::Vector< std::string >"""
2693 return _IMP_kernel.StringKey_get_all_strings()
2696 def get_number_unique():
2697 r"""get_number_unique() -> unsigned int"""
2698 return _IMP_kernel.StringKey_get_number_unique()
2701 r"""__str__(StringKey self) -> std::string"""
2702 return _IMP_kernel.StringKey___str__(self)
2705 r"""__repr__(StringKey self) -> std::string"""
2706 return _IMP_kernel.StringKey___repr__(self)
2707 __swig_destroy__ = _IMP_kernel.delete_StringKey
2710 _IMP_kernel.StringKey_swigregister(StringKey)
2712 r"""Proxy of C++ IMP::Key< 3 > class."""
2714 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2716 def __init__(self, *args):
2718 __init__(ParticleIndexKey self) -> ParticleIndexKey
2719 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2720 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2722 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2726 r"""add_key(std::string sc) -> unsigned int"""
2727 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2730 def get_key_exists(sc):
2731 r"""get_key_exists(std::string sc) -> bool"""
2732 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2734 def get_string(self):
2735 r"""get_string(ParticleIndexKey self) -> std::string const"""
2736 return _IMP_kernel.ParticleIndexKey_get_string(self)
2738 def __cmp__(self, o):
2739 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2740 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2742 def __eq__(self, o):
2743 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2744 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2746 def __ne__(self, o):
2747 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2748 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2750 def __lt__(self, o):
2751 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2752 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2754 def __gt__(self, o):
2755 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2756 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2758 def __ge__(self, o):
2759 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2760 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2762 def __le__(self, o):
2763 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2764 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2767 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2768 return _IMP_kernel.ParticleIndexKey___hash__(self)
2770 def show(self, *args):
2771 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2772 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2775 def add_alias(old_key, new_name):
2776 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2777 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2780 def get_number_of_keys():
2781 r"""get_number_of_keys() -> unsigned int"""
2782 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2785 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2786 return _IMP_kernel.ParticleIndexKey_get_index(self)
2790 r"""show_all(_ostream out)"""
2791 return _IMP_kernel.ParticleIndexKey_show_all(out)
2794 def get_all_strings():
2795 r"""get_all_strings() -> IMP::Vector< std::string >"""
2796 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2799 def get_number_unique():
2800 r"""get_number_unique() -> unsigned int"""
2801 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2804 r"""__str__(ParticleIndexKey self) -> std::string"""
2805 return _IMP_kernel.ParticleIndexKey___str__(self)
2808 r"""__repr__(ParticleIndexKey self) -> std::string"""
2809 return _IMP_kernel.ParticleIndexKey___repr__(self)
2810 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2813 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2815 r"""Proxy of C++ IMP::Key< 4 > class."""
2817 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2819 def __init__(self, *args):
2821 __init__(ObjectKey self) -> ObjectKey
2822 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2823 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2825 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2829 r"""add_key(std::string sc) -> unsigned int"""
2830 return _IMP_kernel.ObjectKey_add_key(sc)
2833 def get_key_exists(sc):
2834 r"""get_key_exists(std::string sc) -> bool"""
2835 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2837 def get_string(self):
2838 r"""get_string(ObjectKey self) -> std::string const"""
2839 return _IMP_kernel.ObjectKey_get_string(self)
2841 def __cmp__(self, o):
2842 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2843 return _IMP_kernel.ObjectKey___cmp__(self, o)
2845 def __eq__(self, o):
2846 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2847 return _IMP_kernel.ObjectKey___eq__(self, o)
2849 def __ne__(self, o):
2850 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2851 return _IMP_kernel.ObjectKey___ne__(self, o)
2853 def __lt__(self, o):
2854 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2855 return _IMP_kernel.ObjectKey___lt__(self, o)
2857 def __gt__(self, o):
2858 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2859 return _IMP_kernel.ObjectKey___gt__(self, o)
2861 def __ge__(self, o):
2862 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2863 return _IMP_kernel.ObjectKey___ge__(self, o)
2865 def __le__(self, o):
2866 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2867 return _IMP_kernel.ObjectKey___le__(self, o)
2870 r"""__hash__(ObjectKey self) -> std::size_t"""
2871 return _IMP_kernel.ObjectKey___hash__(self)
2873 def show(self, *args):
2874 r"""show(ObjectKey self, _ostream out=std::cout)"""
2875 return _IMP_kernel.ObjectKey_show(self, *args)
2878 def add_alias(old_key, new_name):
2879 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2880 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2883 def get_number_of_keys():
2884 r"""get_number_of_keys() -> unsigned int"""
2885 return _IMP_kernel.ObjectKey_get_number_of_keys()
2888 r"""get_index(ObjectKey self) -> unsigned int"""
2889 return _IMP_kernel.ObjectKey_get_index(self)
2893 r"""show_all(_ostream out)"""
2894 return _IMP_kernel.ObjectKey_show_all(out)
2897 def get_all_strings():
2898 r"""get_all_strings() -> IMP::Vector< std::string >"""
2899 return _IMP_kernel.ObjectKey_get_all_strings()
2902 def get_number_unique():
2903 r"""get_number_unique() -> unsigned int"""
2904 return _IMP_kernel.ObjectKey_get_number_unique()
2907 r"""__str__(ObjectKey self) -> std::string"""
2908 return _IMP_kernel.ObjectKey___str__(self)
2911 r"""__repr__(ObjectKey self) -> std::string"""
2912 return _IMP_kernel.ObjectKey___repr__(self)
2913 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2916 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2918 r"""Proxy of C++ IMP::Key< 5 > class."""
2920 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2922 def __init__(self, *args):
2924 __init__(IntsKey self) -> IntsKey
2925 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2926 __init__(IntsKey self, unsigned int i) -> IntsKey
2928 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2932 r"""add_key(std::string sc) -> unsigned int"""
2933 return _IMP_kernel.IntsKey_add_key(sc)
2936 def get_key_exists(sc):
2937 r"""get_key_exists(std::string sc) -> bool"""
2938 return _IMP_kernel.IntsKey_get_key_exists(sc)
2940 def get_string(self):
2941 r"""get_string(IntsKey self) -> std::string const"""
2942 return _IMP_kernel.IntsKey_get_string(self)
2944 def __cmp__(self, o):
2945 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2946 return _IMP_kernel.IntsKey___cmp__(self, o)
2948 def __eq__(self, o):
2949 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2950 return _IMP_kernel.IntsKey___eq__(self, o)
2952 def __ne__(self, o):
2953 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2954 return _IMP_kernel.IntsKey___ne__(self, o)
2956 def __lt__(self, o):
2957 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2958 return _IMP_kernel.IntsKey___lt__(self, o)
2960 def __gt__(self, o):
2961 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2962 return _IMP_kernel.IntsKey___gt__(self, o)
2964 def __ge__(self, o):
2965 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2966 return _IMP_kernel.IntsKey___ge__(self, o)
2968 def __le__(self, o):
2969 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2970 return _IMP_kernel.IntsKey___le__(self, o)
2973 r"""__hash__(IntsKey self) -> std::size_t"""
2974 return _IMP_kernel.IntsKey___hash__(self)
2976 def show(self, *args):
2977 r"""show(IntsKey self, _ostream out=std::cout)"""
2978 return _IMP_kernel.IntsKey_show(self, *args)
2981 def add_alias(old_key, new_name):
2982 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2983 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2986 def get_number_of_keys():
2987 r"""get_number_of_keys() -> unsigned int"""
2988 return _IMP_kernel.IntsKey_get_number_of_keys()
2991 r"""get_index(IntsKey self) -> unsigned int"""
2992 return _IMP_kernel.IntsKey_get_index(self)
2996 r"""show_all(_ostream out)"""
2997 return _IMP_kernel.IntsKey_show_all(out)
3000 def get_all_strings():
3001 r"""get_all_strings() -> IMP::Vector< std::string >"""
3002 return _IMP_kernel.IntsKey_get_all_strings()
3005 def get_number_unique():
3006 r"""get_number_unique() -> unsigned int"""
3007 return _IMP_kernel.IntsKey_get_number_unique()
3010 r"""__str__(IntsKey self) -> std::string"""
3011 return _IMP_kernel.IntsKey___str__(self)
3014 r"""__repr__(IntsKey self) -> std::string"""
3015 return _IMP_kernel.IntsKey___repr__(self)
3016 __swig_destroy__ = _IMP_kernel.delete_IntsKey
3019 _IMP_kernel.IntsKey_swigregister(IntsKey)
3021 r"""Proxy of C++ IMP::Key< 6 > class."""
3023 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3025 def __init__(self, *args):
3027 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
3028 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
3029 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
3031 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
3035 r"""add_key(std::string sc) -> unsigned int"""
3036 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
3039 def get_key_exists(sc):
3040 r"""get_key_exists(std::string sc) -> bool"""
3041 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
3043 def get_string(self):
3044 r"""get_string(ParticleIndexesKey self) -> std::string const"""
3045 return _IMP_kernel.ParticleIndexesKey_get_string(self)
3047 def __cmp__(self, o):
3048 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
3049 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
3051 def __eq__(self, o):
3052 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3053 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
3055 def __ne__(self, o):
3056 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3057 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
3059 def __lt__(self, o):
3060 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3061 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
3063 def __gt__(self, o):
3064 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3065 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
3067 def __ge__(self, o):
3068 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3069 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
3071 def __le__(self, o):
3072 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3073 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
3076 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
3077 return _IMP_kernel.ParticleIndexesKey___hash__(self)
3079 def show(self, *args):
3080 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
3081 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
3084 def add_alias(old_key, new_name):
3085 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
3086 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
3089 def get_number_of_keys():
3090 r"""get_number_of_keys() -> unsigned int"""
3091 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
3094 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
3095 return _IMP_kernel.ParticleIndexesKey_get_index(self)
3099 r"""show_all(_ostream out)"""
3100 return _IMP_kernel.ParticleIndexesKey_show_all(out)
3103 def get_all_strings():
3104 r"""get_all_strings() -> IMP::Vector< std::string >"""
3105 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
3108 def get_number_unique():
3109 r"""get_number_unique() -> unsigned int"""
3110 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
3113 r"""__str__(ParticleIndexesKey self) -> std::string"""
3114 return _IMP_kernel.ParticleIndexesKey___str__(self)
3117 r"""__repr__(ParticleIndexesKey self) -> std::string"""
3118 return _IMP_kernel.ParticleIndexesKey___repr__(self)
3119 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
3122 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
3124 r"""Proxy of C++ IMP::Key< 8 > class."""
3126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3128 def __init__(self, *args):
3130 __init__(ModelKey self) -> ModelKey
3131 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
3132 __init__(ModelKey self, unsigned int i) -> ModelKey
3134 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
3138 r"""add_key(std::string sc) -> unsigned int"""
3139 return _IMP_kernel.ModelKey_add_key(sc)
3142 def get_key_exists(sc):
3143 r"""get_key_exists(std::string sc) -> bool"""
3144 return _IMP_kernel.ModelKey_get_key_exists(sc)
3146 def get_string(self):
3147 r"""get_string(ModelKey self) -> std::string const"""
3148 return _IMP_kernel.ModelKey_get_string(self)
3150 def __cmp__(self, o):
3151 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
3152 return _IMP_kernel.ModelKey___cmp__(self, o)
3154 def __eq__(self, o):
3155 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
3156 return _IMP_kernel.ModelKey___eq__(self, o)
3158 def __ne__(self, o):
3159 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
3160 return _IMP_kernel.ModelKey___ne__(self, o)
3162 def __lt__(self, o):
3163 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
3164 return _IMP_kernel.ModelKey___lt__(self, o)
3166 def __gt__(self, o):
3167 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
3168 return _IMP_kernel.ModelKey___gt__(self, o)
3170 def __ge__(self, o):
3171 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
3172 return _IMP_kernel.ModelKey___ge__(self, o)
3174 def __le__(self, o):
3175 r"""__le__(ModelKey self, ModelKey o) -> bool"""
3176 return _IMP_kernel.ModelKey___le__(self, o)
3179 r"""__hash__(ModelKey self) -> std::size_t"""
3180 return _IMP_kernel.ModelKey___hash__(self)
3182 def show(self, *args):
3183 r"""show(ModelKey self, _ostream out=std::cout)"""
3184 return _IMP_kernel.ModelKey_show(self, *args)
3187 def add_alias(old_key, new_name):
3188 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
3189 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
3192 def get_number_of_keys():
3193 r"""get_number_of_keys() -> unsigned int"""
3194 return _IMP_kernel.ModelKey_get_number_of_keys()
3197 r"""get_index(ModelKey self) -> unsigned int"""
3198 return _IMP_kernel.ModelKey_get_index(self)
3202 r"""show_all(_ostream out)"""
3203 return _IMP_kernel.ModelKey_show_all(out)
3206 def get_all_strings():
3207 r"""get_all_strings() -> IMP::Vector< std::string >"""
3208 return _IMP_kernel.ModelKey_get_all_strings()
3211 def get_number_unique():
3212 r"""get_number_unique() -> unsigned int"""
3213 return _IMP_kernel.ModelKey_get_number_unique()
3216 r"""__str__(ModelKey self) -> std::string"""
3217 return _IMP_kernel.ModelKey___str__(self)
3220 r"""__repr__(ModelKey self) -> std::string"""
3221 return _IMP_kernel.ModelKey___repr__(self)
3222 __swig_destroy__ = _IMP_kernel.delete_ModelKey
3225 _IMP_kernel.ModelKey_swigregister(ModelKey)
3227 r"""Proxy of C++ IMP::Key< 11 > class."""
3229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3231 def __init__(self, *args):
3233 __init__(TriggerKey self) -> TriggerKey
3234 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
3235 __init__(TriggerKey self, unsigned int i) -> TriggerKey
3237 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
3241 r"""add_key(std::string sc) -> unsigned int"""
3242 return _IMP_kernel.TriggerKey_add_key(sc)
3245 def get_key_exists(sc):
3246 r"""get_key_exists(std::string sc) -> bool"""
3247 return _IMP_kernel.TriggerKey_get_key_exists(sc)
3249 def get_string(self):
3250 r"""get_string(TriggerKey self) -> std::string const"""
3251 return _IMP_kernel.TriggerKey_get_string(self)
3253 def __cmp__(self, o):
3254 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
3255 return _IMP_kernel.TriggerKey___cmp__(self, o)
3257 def __eq__(self, o):
3258 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
3259 return _IMP_kernel.TriggerKey___eq__(self, o)
3261 def __ne__(self, o):
3262 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
3263 return _IMP_kernel.TriggerKey___ne__(self, o)
3265 def __lt__(self, o):
3266 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
3267 return _IMP_kernel.TriggerKey___lt__(self, o)
3269 def __gt__(self, o):
3270 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
3271 return _IMP_kernel.TriggerKey___gt__(self, o)
3273 def __ge__(self, o):
3274 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
3275 return _IMP_kernel.TriggerKey___ge__(self, o)
3277 def __le__(self, o):
3278 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
3279 return _IMP_kernel.TriggerKey___le__(self, o)
3282 r"""__hash__(TriggerKey self) -> std::size_t"""
3283 return _IMP_kernel.TriggerKey___hash__(self)
3285 def show(self, *args):
3286 r"""show(TriggerKey self, _ostream out=std::cout)"""
3287 return _IMP_kernel.TriggerKey_show(self, *args)
3290 def add_alias(old_key, new_name):
3291 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
3292 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
3295 def get_number_of_keys():
3296 r"""get_number_of_keys() -> unsigned int"""
3297 return _IMP_kernel.TriggerKey_get_number_of_keys()
3300 r"""get_index(TriggerKey self) -> unsigned int"""
3301 return _IMP_kernel.TriggerKey_get_index(self)
3305 r"""show_all(_ostream out)"""
3306 return _IMP_kernel.TriggerKey_show_all(out)
3309 def get_all_strings():
3310 r"""get_all_strings() -> IMP::Vector< std::string >"""
3311 return _IMP_kernel.TriggerKey_get_all_strings()
3314 def get_number_unique():
3315 r"""get_number_unique() -> unsigned int"""
3316 return _IMP_kernel.TriggerKey_get_number_unique()
3319 r"""__str__(TriggerKey self) -> std::string"""
3320 return _IMP_kernel.TriggerKey___str__(self)
3323 r"""__repr__(TriggerKey self) -> std::string"""
3324 return _IMP_kernel.TriggerKey___repr__(self)
3325 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
3328 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
3330 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
3332 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3334 def __init__(self, *args):
3336 __init__(ParticleIndex self, int i) -> ParticleIndex
3337 __init__(ParticleIndex self) -> ParticleIndex
3339 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
3342 r"""get_index(ParticleIndex self) -> int"""
3343 return _IMP_kernel.ParticleIndex_get_index(self)
3345 def __cmp__(self, o):
3346 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
3347 return _IMP_kernel.ParticleIndex___cmp__(self, o)
3349 def __eq__(self, o):
3350 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
3351 return _IMP_kernel.ParticleIndex___eq__(self, o)
3353 def __ne__(self, o):
3354 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
3355 return _IMP_kernel.ParticleIndex___ne__(self, o)
3357 def __lt__(self, o):
3358 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
3359 return _IMP_kernel.ParticleIndex___lt__(self, o)
3361 def __gt__(self, o):
3362 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
3363 return _IMP_kernel.ParticleIndex___gt__(self, o)
3365 def __ge__(self, o):
3366 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
3367 return _IMP_kernel.ParticleIndex___ge__(self, o)
3369 def __le__(self, o):
3370 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
3371 return _IMP_kernel.ParticleIndex___le__(self, o)
3373 def show(self, *args):
3374 r"""show(ParticleIndex self, _ostream out=std::cout)"""
3375 return _IMP_kernel.ParticleIndex_show(self, *args)
3378 r"""__hash__(ParticleIndex self) -> std::size_t"""
3379 return _IMP_kernel.ParticleIndex___hash__(self)
3382 r"""__str__(ParticleIndex self) -> std::string"""
3383 return _IMP_kernel.ParticleIndex___str__(self)
3386 r"""__repr__(ParticleIndex self) -> std::string"""
3387 return _IMP_kernel.ParticleIndex___repr__(self)
3388 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
3391 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
3393 r"""Proxy of C++ IMP::Key< 10 > class."""
3395 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3397 def __init__(self, *args):
3399 __init__(FloatsKey self) -> FloatsKey
3400 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
3401 __init__(FloatsKey self, unsigned int i) -> FloatsKey
3403 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
3407 r"""add_key(std::string sc) -> unsigned int"""
3408 return _IMP_kernel.FloatsKey_add_key(sc)
3411 def get_key_exists(sc):
3412 r"""get_key_exists(std::string sc) -> bool"""
3413 return _IMP_kernel.FloatsKey_get_key_exists(sc)
3415 def get_string(self):
3416 r"""get_string(FloatsKey self) -> std::string const"""
3417 return _IMP_kernel.FloatsKey_get_string(self)
3419 def __cmp__(self, o):
3420 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
3421 return _IMP_kernel.FloatsKey___cmp__(self, o)
3423 def __eq__(self, o):
3424 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
3425 return _IMP_kernel.FloatsKey___eq__(self, o)
3427 def __ne__(self, o):
3428 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
3429 return _IMP_kernel.FloatsKey___ne__(self, o)
3431 def __lt__(self, o):
3432 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
3433 return _IMP_kernel.FloatsKey___lt__(self, o)
3435 def __gt__(self, o):
3436 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
3437 return _IMP_kernel.FloatsKey___gt__(self, o)
3439 def __ge__(self, o):
3440 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
3441 return _IMP_kernel.FloatsKey___ge__(self, o)
3443 def __le__(self, o):
3444 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
3445 return _IMP_kernel.FloatsKey___le__(self, o)
3448 r"""__hash__(FloatsKey self) -> std::size_t"""
3449 return _IMP_kernel.FloatsKey___hash__(self)
3451 def show(self, *args):
3452 r"""show(FloatsKey self, _ostream out=std::cout)"""
3453 return _IMP_kernel.FloatsKey_show(self, *args)
3456 def add_alias(old_key, new_name):
3457 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
3458 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
3461 def get_number_of_keys():
3462 r"""get_number_of_keys() -> unsigned int"""
3463 return _IMP_kernel.FloatsKey_get_number_of_keys()
3466 r"""get_index(FloatsKey self) -> unsigned int"""
3467 return _IMP_kernel.FloatsKey_get_index(self)
3471 r"""show_all(_ostream out)"""
3472 return _IMP_kernel.FloatsKey_show_all(out)
3475 def get_all_strings():
3476 r"""get_all_strings() -> IMP::Vector< std::string >"""
3477 return _IMP_kernel.FloatsKey_get_all_strings()
3480 def get_number_unique():
3481 r"""get_number_unique() -> unsigned int"""
3482 return _IMP_kernel.FloatsKey_get_number_unique()
3485 r"""__str__(FloatsKey self) -> std::string"""
3486 return _IMP_kernel.FloatsKey___str__(self)
3489 r"""__repr__(FloatsKey self) -> std::string"""
3490 return _IMP_kernel.FloatsKey___repr__(self)
3491 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
3494 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
3496 r"""Proxy of C++ IMP::Key< 12 > class."""
3498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3500 def __init__(self, *args):
3502 __init__(SparseStringKey self) -> SparseStringKey
3503 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
3504 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
3506 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
3510 r"""add_key(std::string sc) -> unsigned int"""
3511 return _IMP_kernel.SparseStringKey_add_key(sc)
3514 def get_key_exists(sc):
3515 r"""get_key_exists(std::string sc) -> bool"""
3516 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
3518 def get_string(self):
3519 r"""get_string(SparseStringKey self) -> std::string const"""
3520 return _IMP_kernel.SparseStringKey_get_string(self)
3522 def __cmp__(self, o):
3523 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
3524 return _IMP_kernel.SparseStringKey___cmp__(self, o)
3526 def __eq__(self, o):
3527 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
3528 return _IMP_kernel.SparseStringKey___eq__(self, o)
3530 def __ne__(self, o):
3531 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
3532 return _IMP_kernel.SparseStringKey___ne__(self, o)
3534 def __lt__(self, o):
3535 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3536 return _IMP_kernel.SparseStringKey___lt__(self, o)
3538 def __gt__(self, o):
3539 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3540 return _IMP_kernel.SparseStringKey___gt__(self, o)
3542 def __ge__(self, o):
3543 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3544 return _IMP_kernel.SparseStringKey___ge__(self, o)
3546 def __le__(self, o):
3547 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3548 return _IMP_kernel.SparseStringKey___le__(self, o)
3551 r"""__hash__(SparseStringKey self) -> std::size_t"""
3552 return _IMP_kernel.SparseStringKey___hash__(self)
3554 def show(self, *args):
3555 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3556 return _IMP_kernel.SparseStringKey_show(self, *args)
3559 def add_alias(old_key, new_name):
3560 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3561 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3564 def get_number_of_keys():
3565 r"""get_number_of_keys() -> unsigned int"""
3566 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3569 r"""get_index(SparseStringKey self) -> unsigned int"""
3570 return _IMP_kernel.SparseStringKey_get_index(self)
3574 r"""show_all(_ostream out)"""
3575 return _IMP_kernel.SparseStringKey_show_all(out)
3578 def get_all_strings():
3579 r"""get_all_strings() -> IMP::Vector< std::string >"""
3580 return _IMP_kernel.SparseStringKey_get_all_strings()
3583 def get_number_unique():
3584 r"""get_number_unique() -> unsigned int"""
3585 return _IMP_kernel.SparseStringKey_get_number_unique()
3588 r"""__str__(SparseStringKey self) -> std::string"""
3589 return _IMP_kernel.SparseStringKey___str__(self)
3592 r"""__repr__(SparseStringKey self) -> std::string"""
3593 return _IMP_kernel.SparseStringKey___repr__(self)
3594 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3597 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3599 r"""Proxy of C++ IMP::Key< 13 > class."""
3601 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3603 def __init__(self, *args):
3605 __init__(SparseIntKey self) -> SparseIntKey
3606 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3607 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3609 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3613 r"""add_key(std::string sc) -> unsigned int"""
3614 return _IMP_kernel.SparseIntKey_add_key(sc)
3617 def get_key_exists(sc):
3618 r"""get_key_exists(std::string sc) -> bool"""
3619 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3621 def get_string(self):
3622 r"""get_string(SparseIntKey self) -> std::string const"""
3623 return _IMP_kernel.SparseIntKey_get_string(self)
3625 def __cmp__(self, o):
3626 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3627 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3629 def __eq__(self, o):
3630 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3631 return _IMP_kernel.SparseIntKey___eq__(self, o)
3633 def __ne__(self, o):
3634 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3635 return _IMP_kernel.SparseIntKey___ne__(self, o)
3637 def __lt__(self, o):
3638 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3639 return _IMP_kernel.SparseIntKey___lt__(self, o)
3641 def __gt__(self, o):
3642 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3643 return _IMP_kernel.SparseIntKey___gt__(self, o)
3645 def __ge__(self, o):
3646 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3647 return _IMP_kernel.SparseIntKey___ge__(self, o)
3649 def __le__(self, o):
3650 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3651 return _IMP_kernel.SparseIntKey___le__(self, o)
3654 r"""__hash__(SparseIntKey self) -> std::size_t"""
3655 return _IMP_kernel.SparseIntKey___hash__(self)
3657 def show(self, *args):
3658 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3659 return _IMP_kernel.SparseIntKey_show(self, *args)
3662 def add_alias(old_key, new_name):
3663 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3664 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3667 def get_number_of_keys():
3668 r"""get_number_of_keys() -> unsigned int"""
3669 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3672 r"""get_index(SparseIntKey self) -> unsigned int"""
3673 return _IMP_kernel.SparseIntKey_get_index(self)
3677 r"""show_all(_ostream out)"""
3678 return _IMP_kernel.SparseIntKey_show_all(out)
3681 def get_all_strings():
3682 r"""get_all_strings() -> IMP::Vector< std::string >"""
3683 return _IMP_kernel.SparseIntKey_get_all_strings()
3686 def get_number_unique():
3687 r"""get_number_unique() -> unsigned int"""
3688 return _IMP_kernel.SparseIntKey_get_number_unique()
3691 r"""__str__(SparseIntKey self) -> std::string"""
3692 return _IMP_kernel.SparseIntKey___str__(self)
3695 r"""__repr__(SparseIntKey self) -> std::string"""
3696 return _IMP_kernel.SparseIntKey___repr__(self)
3697 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3700 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3702 r"""Proxy of C++ IMP::Key< 14 > class."""
3704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3706 def __init__(self, *args):
3708 __init__(SparseFloatKey self) -> SparseFloatKey
3709 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3710 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3712 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3716 r"""add_key(std::string sc) -> unsigned int"""
3717 return _IMP_kernel.SparseFloatKey_add_key(sc)
3720 def get_key_exists(sc):
3721 r"""get_key_exists(std::string sc) -> bool"""
3722 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3724 def get_string(self):
3725 r"""get_string(SparseFloatKey self) -> std::string const"""
3726 return _IMP_kernel.SparseFloatKey_get_string(self)
3728 def __cmp__(self, o):
3729 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3730 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3732 def __eq__(self, o):
3733 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3734 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3736 def __ne__(self, o):
3737 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3738 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3740 def __lt__(self, o):
3741 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3742 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3744 def __gt__(self, o):
3745 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3746 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3748 def __ge__(self, o):
3749 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3750 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3752 def __le__(self, o):
3753 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3754 return _IMP_kernel.SparseFloatKey___le__(self, o)
3757 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3758 return _IMP_kernel.SparseFloatKey___hash__(self)
3760 def show(self, *args):
3761 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3762 return _IMP_kernel.SparseFloatKey_show(self, *args)
3765 def add_alias(old_key, new_name):
3766 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3767 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3770 def get_number_of_keys():
3771 r"""get_number_of_keys() -> unsigned int"""
3772 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3775 r"""get_index(SparseFloatKey self) -> unsigned int"""
3776 return _IMP_kernel.SparseFloatKey_get_index(self)
3780 r"""show_all(_ostream out)"""
3781 return _IMP_kernel.SparseFloatKey_show_all(out)
3784 def get_all_strings():
3785 r"""get_all_strings() -> IMP::Vector< std::string >"""
3786 return _IMP_kernel.SparseFloatKey_get_all_strings()
3789 def get_number_unique():
3790 r"""get_number_unique() -> unsigned int"""
3791 return _IMP_kernel.SparseFloatKey_get_number_unique()
3794 r"""__str__(SparseFloatKey self) -> std::string"""
3795 return _IMP_kernel.SparseFloatKey___str__(self)
3798 r"""__repr__(SparseFloatKey self) -> std::string"""
3799 return _IMP_kernel.SparseFloatKey___repr__(self)
3800 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3803 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3805 r"""Proxy of C++ IMP::Key< 15 > class."""
3807 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3809 def __init__(self, *args):
3811 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3812 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3813 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3815 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3819 r"""add_key(std::string sc) -> unsigned int"""
3820 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3823 def get_key_exists(sc):
3824 r"""get_key_exists(std::string sc) -> bool"""
3825 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3827 def get_string(self):
3828 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3829 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3831 def __cmp__(self, o):
3832 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3833 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3835 def __eq__(self, o):
3836 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3837 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3839 def __ne__(self, o):
3840 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3841 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3843 def __lt__(self, o):
3844 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3845 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3847 def __gt__(self, o):
3848 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3849 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3851 def __ge__(self, o):
3852 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3853 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3855 def __le__(self, o):
3856 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3857 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3860 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3861 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3863 def show(self, *args):
3864 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3865 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3868 def add_alias(old_key, new_name):
3869 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3870 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3873 def get_number_of_keys():
3874 r"""get_number_of_keys() -> unsigned int"""
3875 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3878 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3879 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3883 r"""show_all(_ostream out)"""
3884 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3887 def get_all_strings():
3888 r"""get_all_strings() -> IMP::Vector< std::string >"""
3889 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3892 def get_number_unique():
3893 r"""get_number_unique() -> unsigned int"""
3894 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3897 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3898 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3901 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3902 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3903 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3906 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3908 r"""Proxy of C++ IMP::Key< 16 > class."""
3910 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3912 def __init__(self, *args):
3914 __init__(Vector3DKey self) -> Vector3DKey
3915 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3916 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3918 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3922 r"""add_key(std::string sc) -> unsigned int"""
3923 return _IMP_kernel.Vector3DKey_add_key(sc)
3926 def get_key_exists(sc):
3927 r"""get_key_exists(std::string sc) -> bool"""
3928 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3930 def get_string(self):
3931 r"""get_string(Vector3DKey self) -> std::string const"""
3932 return _IMP_kernel.Vector3DKey_get_string(self)
3934 def __cmp__(self, o):
3935 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3936 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3938 def __eq__(self, o):
3939 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3940 return _IMP_kernel.Vector3DKey___eq__(self, o)
3942 def __ne__(self, o):
3943 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3944 return _IMP_kernel.Vector3DKey___ne__(self, o)
3946 def __lt__(self, o):
3947 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3948 return _IMP_kernel.Vector3DKey___lt__(self, o)
3950 def __gt__(self, o):
3951 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3952 return _IMP_kernel.Vector3DKey___gt__(self, o)
3954 def __ge__(self, o):
3955 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3956 return _IMP_kernel.Vector3DKey___ge__(self, o)
3958 def __le__(self, o):
3959 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3960 return _IMP_kernel.Vector3DKey___le__(self, o)
3963 r"""__hash__(Vector3DKey self) -> std::size_t"""
3964 return _IMP_kernel.Vector3DKey___hash__(self)
3966 def show(self, *args):
3967 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3968 return _IMP_kernel.Vector3DKey_show(self, *args)
3971 def add_alias(old_key, new_name):
3972 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3973 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3976 def get_number_of_keys():
3977 r"""get_number_of_keys() -> unsigned int"""
3978 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3981 r"""get_index(Vector3DKey self) -> unsigned int"""
3982 return _IMP_kernel.Vector3DKey_get_index(self)
3986 r"""show_all(_ostream out)"""
3987 return _IMP_kernel.Vector3DKey_show_all(out)
3990 def get_all_strings():
3991 r"""get_all_strings() -> IMP::Vector< std::string >"""
3992 return _IMP_kernel.Vector3DKey_get_all_strings()
3995 def get_number_unique():
3996 r"""get_number_unique() -> unsigned int"""
3997 return _IMP_kernel.Vector3DKey_get_number_unique()
4000 r"""__str__(Vector3DKey self) -> std::string"""
4001 return _IMP_kernel.Vector3DKey___str__(self)
4004 r"""__repr__(Vector3DKey self) -> std::string"""
4005 return _IMP_kernel.Vector3DKey___repr__(self)
4006 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
4009 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
4011 r"""Proxy of C++ IMP::Key< 17 > class."""
4013 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4015 def __init__(self, *args):
4017 __init__(Vector3DDerivKey self) -> Vector3DDerivKey
4018 __init__(Vector3DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DDerivKey
4019 __init__(Vector3DDerivKey self, unsigned int i) -> Vector3DDerivKey
4021 _IMP_kernel.Vector3DDerivKey_swiginit(self, _IMP_kernel.new_Vector3DDerivKey(*args))
4025 r"""add_key(std::string sc) -> unsigned int"""
4026 return _IMP_kernel.Vector3DDerivKey_add_key(sc)
4029 def get_key_exists(sc):
4030 r"""get_key_exists(std::string sc) -> bool"""
4031 return _IMP_kernel.Vector3DDerivKey_get_key_exists(sc)
4033 def get_string(self):
4034 r"""get_string(Vector3DDerivKey self) -> std::string const"""
4035 return _IMP_kernel.Vector3DDerivKey_get_string(self)
4037 def __cmp__(self, o):
4038 r"""__cmp__(Vector3DDerivKey self, Vector3DDerivKey o) -> int"""
4039 return _IMP_kernel.Vector3DDerivKey___cmp__(self, o)
4041 def __eq__(self, o):
4042 r"""__eq__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4043 return _IMP_kernel.Vector3DDerivKey___eq__(self, o)
4045 def __ne__(self, o):
4046 r"""__ne__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4047 return _IMP_kernel.Vector3DDerivKey___ne__(self, o)
4049 def __lt__(self, o):
4050 r"""__lt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4051 return _IMP_kernel.Vector3DDerivKey___lt__(self, o)
4053 def __gt__(self, o):
4054 r"""__gt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4055 return _IMP_kernel.Vector3DDerivKey___gt__(self, o)
4057 def __ge__(self, o):
4058 r"""__ge__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4059 return _IMP_kernel.Vector3DDerivKey___ge__(self, o)
4061 def __le__(self, o):
4062 r"""__le__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4063 return _IMP_kernel.Vector3DDerivKey___le__(self, o)
4066 r"""__hash__(Vector3DDerivKey self) -> std::size_t"""
4067 return _IMP_kernel.Vector3DDerivKey___hash__(self)
4069 def show(self, *args):
4070 r"""show(Vector3DDerivKey self, _ostream out=std::cout)"""
4071 return _IMP_kernel.Vector3DDerivKey_show(self, *args)
4074 def add_alias(old_key, new_name):
4075 r"""add_alias(Vector3DDerivKey old_key, std::string new_name) -> Vector3DDerivKey"""
4076 return _IMP_kernel.Vector3DDerivKey_add_alias(old_key, new_name)
4079 def get_number_of_keys():
4080 r"""get_number_of_keys() -> unsigned int"""
4081 return _IMP_kernel.Vector3DDerivKey_get_number_of_keys()
4084 r"""get_index(Vector3DDerivKey self) -> unsigned int"""
4085 return _IMP_kernel.Vector3DDerivKey_get_index(self)
4089 r"""show_all(_ostream out)"""
4090 return _IMP_kernel.Vector3DDerivKey_show_all(out)
4093 def get_all_strings():
4094 r"""get_all_strings() -> IMP::Vector< std::string >"""
4095 return _IMP_kernel.Vector3DDerivKey_get_all_strings()
4098 def get_number_unique():
4099 r"""get_number_unique() -> unsigned int"""
4100 return _IMP_kernel.Vector3DDerivKey_get_number_unique()
4103 r"""__str__(Vector3DDerivKey self) -> std::string"""
4104 return _IMP_kernel.Vector3DDerivKey___str__(self)
4107 r"""__repr__(Vector3DDerivKey self) -> std::string"""
4108 return _IMP_kernel.Vector3DDerivKey___repr__(self)
4109 __swig_destroy__ = _IMP_kernel.delete_Vector3DDerivKey
4112 _IMP_kernel.Vector3DDerivKey_swigregister(Vector3DDerivKey)
4114 r"""Proxy of C++ IMP::Key< 18 > class."""
4116 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4118 def __init__(self, *args):
4120 __init__(Vector4DKey self) -> Vector4DKey
4121 __init__(Vector4DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DKey
4122 __init__(Vector4DKey self, unsigned int i) -> Vector4DKey
4124 _IMP_kernel.Vector4DKey_swiginit(self, _IMP_kernel.new_Vector4DKey(*args))
4128 r"""add_key(std::string sc) -> unsigned int"""
4129 return _IMP_kernel.Vector4DKey_add_key(sc)
4132 def get_key_exists(sc):
4133 r"""get_key_exists(std::string sc) -> bool"""
4134 return _IMP_kernel.Vector4DKey_get_key_exists(sc)
4136 def get_string(self):
4137 r"""get_string(Vector4DKey self) -> std::string const"""
4138 return _IMP_kernel.Vector4DKey_get_string(self)
4140 def __cmp__(self, o):
4141 r"""__cmp__(Vector4DKey self, Vector4DKey o) -> int"""
4142 return _IMP_kernel.Vector4DKey___cmp__(self, o)
4144 def __eq__(self, o):
4145 r"""__eq__(Vector4DKey self, Vector4DKey o) -> bool"""
4146 return _IMP_kernel.Vector4DKey___eq__(self, o)
4148 def __ne__(self, o):
4149 r"""__ne__(Vector4DKey self, Vector4DKey o) -> bool"""
4150 return _IMP_kernel.Vector4DKey___ne__(self, o)
4152 def __lt__(self, o):
4153 r"""__lt__(Vector4DKey self, Vector4DKey o) -> bool"""
4154 return _IMP_kernel.Vector4DKey___lt__(self, o)
4156 def __gt__(self, o):
4157 r"""__gt__(Vector4DKey self, Vector4DKey o) -> bool"""
4158 return _IMP_kernel.Vector4DKey___gt__(self, o)
4160 def __ge__(self, o):
4161 r"""__ge__(Vector4DKey self, Vector4DKey o) -> bool"""
4162 return _IMP_kernel.Vector4DKey___ge__(self, o)
4164 def __le__(self, o):
4165 r"""__le__(Vector4DKey self, Vector4DKey o) -> bool"""
4166 return _IMP_kernel.Vector4DKey___le__(self, o)
4169 r"""__hash__(Vector4DKey self) -> std::size_t"""
4170 return _IMP_kernel.Vector4DKey___hash__(self)
4172 def show(self, *args):
4173 r"""show(Vector4DKey self, _ostream out=std::cout)"""
4174 return _IMP_kernel.Vector4DKey_show(self, *args)
4177 def add_alias(old_key, new_name):
4178 r"""add_alias(Vector4DKey old_key, std::string new_name) -> Vector4DKey"""
4179 return _IMP_kernel.Vector4DKey_add_alias(old_key, new_name)
4182 def get_number_of_keys():
4183 r"""get_number_of_keys() -> unsigned int"""
4184 return _IMP_kernel.Vector4DKey_get_number_of_keys()
4187 r"""get_index(Vector4DKey self) -> unsigned int"""
4188 return _IMP_kernel.Vector4DKey_get_index(self)
4192 r"""show_all(_ostream out)"""
4193 return _IMP_kernel.Vector4DKey_show_all(out)
4196 def get_all_strings():
4197 r"""get_all_strings() -> IMP::Vector< std::string >"""
4198 return _IMP_kernel.Vector4DKey_get_all_strings()
4201 def get_number_unique():
4202 r"""get_number_unique() -> unsigned int"""
4203 return _IMP_kernel.Vector4DKey_get_number_unique()
4206 r"""__str__(Vector4DKey self) -> std::string"""
4207 return _IMP_kernel.Vector4DKey___str__(self)
4210 r"""__repr__(Vector4DKey self) -> std::string"""
4211 return _IMP_kernel.Vector4DKey___repr__(self)
4212 __swig_destroy__ = _IMP_kernel.delete_Vector4DKey
4215 _IMP_kernel.Vector4DKey_swigregister(Vector4DKey)
4217 r"""Proxy of C++ IMP::Key< 19 > class."""
4219 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4221 def __init__(self, *args):
4223 __init__(Vector4DDerivKey self) -> Vector4DDerivKey
4224 __init__(Vector4DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DDerivKey
4225 __init__(Vector4DDerivKey self, unsigned int i) -> Vector4DDerivKey
4227 _IMP_kernel.Vector4DDerivKey_swiginit(self, _IMP_kernel.new_Vector4DDerivKey(*args))
4231 r"""add_key(std::string sc) -> unsigned int"""
4232 return _IMP_kernel.Vector4DDerivKey_add_key(sc)
4235 def get_key_exists(sc):
4236 r"""get_key_exists(std::string sc) -> bool"""
4237 return _IMP_kernel.Vector4DDerivKey_get_key_exists(sc)
4239 def get_string(self):
4240 r"""get_string(Vector4DDerivKey self) -> std::string const"""
4241 return _IMP_kernel.Vector4DDerivKey_get_string(self)
4243 def __cmp__(self, o):
4244 r"""__cmp__(Vector4DDerivKey self, Vector4DDerivKey o) -> int"""
4245 return _IMP_kernel.Vector4DDerivKey___cmp__(self, o)
4247 def __eq__(self, o):
4248 r"""__eq__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4249 return _IMP_kernel.Vector4DDerivKey___eq__(self, o)
4251 def __ne__(self, o):
4252 r"""__ne__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4253 return _IMP_kernel.Vector4DDerivKey___ne__(self, o)
4255 def __lt__(self, o):
4256 r"""__lt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4257 return _IMP_kernel.Vector4DDerivKey___lt__(self, o)
4259 def __gt__(self, o):
4260 r"""__gt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4261 return _IMP_kernel.Vector4DDerivKey___gt__(self, o)
4263 def __ge__(self, o):
4264 r"""__ge__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4265 return _IMP_kernel.Vector4DDerivKey___ge__(self, o)
4267 def __le__(self, o):
4268 r"""__le__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4269 return _IMP_kernel.Vector4DDerivKey___le__(self, o)
4272 r"""__hash__(Vector4DDerivKey self) -> std::size_t"""
4273 return _IMP_kernel.Vector4DDerivKey___hash__(self)
4275 def show(self, *args):
4276 r"""show(Vector4DDerivKey self, _ostream out=std::cout)"""
4277 return _IMP_kernel.Vector4DDerivKey_show(self, *args)
4280 def add_alias(old_key, new_name):
4281 r"""add_alias(Vector4DDerivKey old_key, std::string new_name) -> Vector4DDerivKey"""
4282 return _IMP_kernel.Vector4DDerivKey_add_alias(old_key, new_name)
4285 def get_number_of_keys():
4286 r"""get_number_of_keys() -> unsigned int"""
4287 return _IMP_kernel.Vector4DDerivKey_get_number_of_keys()
4290 r"""get_index(Vector4DDerivKey self) -> unsigned int"""
4291 return _IMP_kernel.Vector4DDerivKey_get_index(self)
4295 r"""show_all(_ostream out)"""
4296 return _IMP_kernel.Vector4DDerivKey_show_all(out)
4299 def get_all_strings():
4300 r"""get_all_strings() -> IMP::Vector< std::string >"""
4301 return _IMP_kernel.Vector4DDerivKey_get_all_strings()
4304 def get_number_unique():
4305 r"""get_number_unique() -> unsigned int"""
4306 return _IMP_kernel.Vector4DDerivKey_get_number_unique()
4309 r"""__str__(Vector4DDerivKey self) -> std::string"""
4310 return _IMP_kernel.Vector4DDerivKey___str__(self)
4313 r"""__repr__(Vector4DDerivKey self) -> std::string"""
4314 return _IMP_kernel.Vector4DDerivKey___repr__(self)
4315 __swig_destroy__ = _IMP_kernel.delete_Vector4DDerivKey
4318 _IMP_kernel.Vector4DDerivKey_swigregister(Vector4DDerivKey)
4327 class FloatIndex(_Value):
4328 r"""Proxy of C++ IMP::FloatIndex class."""
4330 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4332 def __init__(self, *args):
4334 __init__(FloatIndex self, ParticleIndex pi, FloatKey k) -> FloatIndex
4335 __init__(FloatIndex self, ParticleIndex pi, Vector3DDerivKey k, int index) -> FloatIndex
4336 __init__(FloatIndex self, ParticleIndex pi, Vector4DDerivKey k, int index) -> FloatIndex
4338 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
4340 def get_float_key(self):
4341 r"""get_float_key(FloatIndex self) -> FloatKey"""
4342 return _IMP_kernel.FloatIndex_get_float_key(self)
4344 def set_value(self, m, v):
4345 r"""set_value(FloatIndex self, Model m, IMP::Float v)"""
4346 return _IMP_kernel.FloatIndex_set_value(self, m, v)
4348 def get_value(self, m):
4349 r"""get_value(FloatIndex self, Model m) -> IMP::Float"""
4350 return _IMP_kernel.FloatIndex_get_value(self, m)
4352 def get_derivative(self, m):
4353 r"""get_derivative(FloatIndex self, Model m) -> IMP::Float"""
4354 return _IMP_kernel.FloatIndex_get_derivative(self, m)
4356 def show(self, *args):
4357 r"""show(FloatIndex self, _ostream out=std::cout)"""
4358 return _IMP_kernel.FloatIndex_show(self, *args)
4361 r"""__str__(FloatIndex self) -> std::string"""
4362 return _IMP_kernel.FloatIndex___str__(self)
4365 r"""__repr__(FloatIndex self) -> std::string"""
4366 return _IMP_kernel.FloatIndex___repr__(self)
4367 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
4370 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
4371 class _ParticleIndexTag(object):
4372 r"""Proxy of C++ IMP::ParticleIndexTag class."""
4374 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4375 __repr__ = _swig_repr
4378 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
4379 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
4380 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
4383 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
4384 class ModelObject(
Object):
4385 r"""Proxy of C++ IMP::ModelObject class."""
4387 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4389 def __init__(self, *args):
4391 __init__(ModelObject self, Model m, std::string name) -> ModelObject
4392 __init__(ModelObject self) -> ModelObject
4394 if self.__class__ == ModelObject:
4398 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
4400 if self.__class__ != ModelObject:
4401 _director_objects.register(self)
4405 __swig_destroy__ = _IMP_kernel.delete_ModelObject
4407 def get_model(self):
4408 m = _IMP_kernel.ModelObject_get_model(self)
4409 if m
in _models_set:
4410 m = _models_set_get(m)
4415 def get_inputs(self):
4416 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4417 return _IMP_kernel.ModelObject_get_inputs(self)
4419 def get_outputs(self):
4420 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4421 return _IMP_kernel.ModelObject_get_outputs(self)
4423 def get_interactions(self):
4424 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4425 return _IMP_kernel.ModelObject_get_interactions(self)
4427 def get_has_dependencies(self):
4428 r"""get_has_dependencies(ModelObject self) -> bool"""
4429 return _IMP_kernel.ModelObject_get_has_dependencies(self)
4431 def set_has_dependencies(self, tf):
4432 r"""set_has_dependencies(ModelObject self, bool tf)"""
4433 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
4435 def set_has_required_score_states(self, tf):
4436 r"""set_has_required_score_states(ModelObject self, bool tf)"""
4437 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
4439 def get_has_required_score_states(self):
4440 r"""get_has_required_score_states(ModelObject self) -> bool"""
4441 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
4443 def get_required_score_states(self):
4444 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
4445 return _IMP_kernel.ModelObject_get_required_score_states(self)
4447 def handle_set_has_required_score_states(self, arg0):
4448 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
4449 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
4451 def do_get_inputs(self):
4452 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4453 return _IMP_kernel.ModelObject_do_get_inputs(self)
4455 def do_get_outputs(self):
4456 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4457 return _IMP_kernel.ModelObject_do_get_outputs(self)
4459 def do_get_interactions(self):
4460 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4461 return _IMP_kernel.ModelObject_do_get_interactions(self)
4464 r"""__str__(ModelObject self) -> std::string"""
4465 return _IMP_kernel.ModelObject___str__(self)
4468 r"""__repr__(ModelObject self) -> std::string"""
4469 return _IMP_kernel.ModelObject___repr__(self)
4473 return _object_cast_to_ModelObject(o)
4476 def do_show(self, out):
4481 return _object_cast_to_ModelObject(o)
4483 def __disown__(self):
4485 _IMP_kernel.disown_ModelObject(self)
4486 return weakref.proxy(self)
4489 r"""do_destroy(ModelObject self)"""
4490 return _IMP_kernel.ModelObject_do_destroy(self)
4493 _IMP_kernel.ModelObject_swigregister(ModelObject)
4494 cvar = _IMP_kernel.cvar
4495 NO_MAX = cvar.NO_MAX
4496 BAD_SCORE = cvar.BAD_SCORE
4498 class _ParticleInputs(object):
4499 r"""Proxy of C++ IMP::ParticleInputs class."""
4501 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4503 def __init__(self, *args, **kwargs):
4504 raise AttributeError(
"No constructor defined - class is abstract")
4505 __repr__ = _swig_repr
4507 def get_inputs(self, m, pis):
4508 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4509 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
4512 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
4513 class _ParticleOutputs(object):
4514 r"""Proxy of C++ IMP::ParticleOutputs class."""
4516 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4518 def __init__(self, *args, **kwargs):
4519 raise AttributeError(
"No constructor defined - class is abstract")
4520 __repr__ = _swig_repr
4522 def get_outputs(self, m, pis):
4523 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4524 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
4527 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
4530 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4531 return _IMP_kernel.get_input_particles(mos)
4534 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4535 return _IMP_kernel.get_input_containers(mos)
4538 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4539 return _IMP_kernel.get_output_particles(mos)
4542 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4543 return _IMP_kernel.get_output_containers(mos)
4546 _plural_types.append(
"Vector1Ds")
4547 _value_types.append(
"Vector1D")
4551 _plural_types.append(
"Vector2Ds")
4552 _value_types.append(
"Vector2D")
4556 _plural_types.append(
"Vector3Ds")
4557 _value_types.append(
"Vector3D")
4561 _plural_types.append(
"Vector4Ds")
4562 _value_types.append(
"Vector4D")
4566 _plural_types.append(
"Vector5Ds")
4567 _value_types.append(
"Vector5D")
4571 _plural_types.append(
"Vector6Ds")
4572 _value_types.append(
"Vector6D")
4576 _plural_types.append(
"Vector1Ds")
4577 _value_types.append(
"VectorD<1>")
4581 _plural_types.append(
"Vector2Ds")
4582 _value_types.append(
"VectorD<2>")
4586 _plural_types.append(
"Vector3Ds")
4587 _value_types.append(
"VectorD<3>")
4591 _plural_types.append(
"Vector4Ds")
4592 _value_types.append(
"VectorD<4>")
4596 _plural_types.append(
"Vector5Ds")
4597 _value_types.append(
"VectorD<5>")
4601 _plural_types.append(
"Vector6Ds")
4602 _value_types.append(
"VectorD<6>")
4606 _plural_types.append(
"VectorKDs")
4607 _value_types.append(
"VectorKD")
4611 _plural_types.append(
"VectorKDs")
4612 _value_types.append(
"VectorD<-1>")
4616 r"""get_basis_vector_kd(int D, unsigned int coordinate) -> VectorKD"""
4617 return _IMP_kernel.get_basis_vector_kd(D, coordinate)
4620 r"""get_zero_vector_kd(int D) -> VectorKD"""
4621 return _IMP_kernel.get_zero_vector_kd(D)
4624 r"""get_ones_vector_kd(unsigned int D, double v=1) -> VectorKD"""
4625 return _IMP_kernel.get_ones_vector_kd(D, v)
4628 r"""get_vector_product(Vector3D p1, Vector3D p2) -> Vector3D"""
4629 return _IMP_kernel.get_vector_product(p1, p2)
4632 r"""get_orthogonal_vector(Vector3D v) -> Vector3D"""
4633 return _IMP_kernel.get_orthogonal_vector(v)
4636 r"""get_centroid(IMP::Vector3Ds const & ps) -> Vector3D"""
4637 return _IMP_kernel.get_centroid(ps)
4640 r"""get_radius_of_gyration(IMP::Vector3Ds const & ps) -> double"""
4641 return _IMP_kernel.get_radius_of_gyration(ps)
4642 class DerivativeAccumulator(object):
4643 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
4645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4646 __repr__ = _swig_repr
4648 def __init__(self, *args):
4650 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
4651 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
4652 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
4654 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
4656 def __call__(self, *args):
4658 __call__(DerivativeAccumulator self, double const value) -> double
4659 __call__(DerivativeAccumulator self, Vector3D value) -> Vector3D
4660 __call__(DerivativeAccumulator self, Vector4D value) -> Vector4D
4662 return _IMP_kernel.DerivativeAccumulator___call__(self, *args)
4664 def get_weight(self):
4665 r"""get_weight(DerivativeAccumulator self) -> double"""
4666 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
4668 def show(self, *args):
4669 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
4670 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
4671 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
4674 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
4675 class EvaluationState(object):
4676 r"""Proxy of C++ IMP::EvaluationState class."""
4678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4679 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
4680 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
4682 def __init__(self, *args):
4684 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
4685 __init__(EvaluationState self) -> EvaluationState
4687 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
4689 def show(self, *args):
4690 r"""show(EvaluationState self, _ostream out=std::cout)"""
4691 return _IMP_kernel.EvaluationState_show(self, *args)
4694 r"""__str__(EvaluationState self) -> std::string"""
4695 return _IMP_kernel.EvaluationState___str__(self)
4698 r"""__repr__(EvaluationState self) -> std::string"""
4699 return _IMP_kernel.EvaluationState___repr__(self)
4700 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
4703 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
4704 class ScoreAccumulator(_Value):
4705 r"""Proxy of C++ IMP::ScoreAccumulator class."""
4707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4709 def __init__(self, *args):
4711 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
4712 __init__(ScoreAccumulator self) -> ScoreAccumulator
4713 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
4714 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
4716 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
4718 def add_score(self, score):
4719 r"""add_score(ScoreAccumulator self, double score)"""
4720 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
4722 def get_abort_evaluation(self):
4723 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
4724 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
4726 def get_is_evaluate_if_below(self):
4727 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
4728 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
4730 def get_is_evaluate_if_good(self):
4731 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
4732 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
4734 def get_maximum(self):
4735 r"""get_maximum(ScoreAccumulator self) -> double"""
4736 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
4738 def get_derivative_accumulator(self):
4739 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
4740 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
4742 def show(self, *args):
4743 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
4744 return _IMP_kernel.ScoreAccumulator_show(self, *args)
4747 r"""__str__(ScoreAccumulator self) -> std::string"""
4748 return _IMP_kernel.ScoreAccumulator___str__(self)
4751 r"""__repr__(ScoreAccumulator self) -> std::string"""
4752 return _IMP_kernel.ScoreAccumulator___repr__(self)
4753 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
4756 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
4757 class ScoreState(ModelObject):
4758 r"""Proxy of C++ IMP::ScoreState class."""
4760 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4761 is_ignored_by_jax_ = property(_IMP_kernel.ScoreState_is_ignored_by_jax__get, _IMP_kernel.ScoreState_is_ignored_by_jax__set, doc=
r"""is_ignored_by_jax_ : bool""")
4763 def set_can_skip(self, can_skip):
4764 r"""set_can_skip(ScoreState self, bool can_skip)"""
4765 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
4767 def __init__(self, *args):
4769 __init__(ScoreState self, Model m, std::string name) -> ScoreState
4770 __init__(ScoreState self) -> ScoreState
4772 if self.__class__ == ScoreState:
4776 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
4778 if self.__class__ != ScoreState:
4779 _director_objects.register(self)
4784 def before_evaluate(self):
4785 r"""before_evaluate(ScoreState self)"""
4786 return _IMP_kernel.ScoreState_before_evaluate(self)
4788 def after_evaluate(self, accpt):
4789 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4790 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
4792 def get_can_skip(self):
4793 r"""get_can_skip(ScoreState self) -> bool"""
4794 return _IMP_kernel.ScoreState_get_can_skip(self)
4796 def get_has_update_order(self):
4797 r"""get_has_update_order(ScoreState self) -> bool"""
4798 return _IMP_kernel.ScoreState_get_has_update_order(self)
4801 r"""get_update_order(ScoreState self) -> unsigned int"""
4802 return _IMP_kernel.ScoreState_get_update_order(self)
4804 def handle_set_has_required_score_states(self, tf):
4805 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
4806 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
4808 def get_is_ignored_by_jax(self):
4809 r"""get_is_ignored_by_jax(ScoreState self) -> bool"""
4810 return _IMP_kernel.ScoreState_get_is_ignored_by_jax(self)
4812 def do_before_evaluate(self):
4813 r"""do_before_evaluate(ScoreState self)"""
4814 return _IMP_kernel.ScoreState_do_before_evaluate(self)
4816 def do_after_evaluate(self, accpt):
4817 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4818 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
4819 __swig_destroy__ = _IMP_kernel.delete_ScoreState
4822 r"""__str__(ScoreState self) -> std::string"""
4823 return _IMP_kernel.ScoreState___str__(self)
4826 r"""__repr__(ScoreState self) -> std::string"""
4827 return _IMP_kernel.ScoreState___repr__(self)
4831 return _object_cast_to_ScoreState(o)
4834 def do_show(self, out):
4839 return _object_cast_to_ScoreState(o)
4842 def _wrap_jax(self, apply_func, keys=None):
4843 """Create the return value for _get_jax.
4844 Use this method in _get_jax() to wrap the JAX apply function
4845 with other model- and ScoreState-specific information.
4847 @param apply_func A function implemented using JAX that takes
4848 a single argument (the current JAX Model) and returns
4849 a new JAX Model with the ScoreState's transformation
4851 @param keys If given, a set of IMP::Key objects describing Model
4852 attributes (other than xyz and radius) that the ScoreState
4855 from IMP._jax_util
import JAXScoreStateInfo
4856 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
4860 """Return a JAX implementation of this ScoreState.
4861 Implement this method in a ScoreState subclass to provide
4862 an equivalent function using [JAX](https://docs.jax.dev/)
4863 that modifies the JAX Model. See also _wrap_jax.
4865 if self.get_is_ignored_by_jax():
4866 return self._wrap_jax(
lambda jm: jm)
4868 raise NotImplementedError(
4869 f
"No JAX implementation for {self} ({type(self)})")
4871 def __disown__(self):
4873 _IMP_kernel.disown_ScoreState(self)
4874 return weakref.proxy(self)
4877 r"""do_destroy(ScoreState self)"""
4878 return _IMP_kernel.ScoreState_do_destroy(self)
4880 def do_get_inputs(self):
4881 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4882 return _IMP_kernel.ScoreState_do_get_inputs(self)
4884 def do_get_outputs(self):
4885 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4886 return _IMP_kernel.ScoreState_do_get_outputs(self)
4888 def do_get_interactions(self):
4889 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
4890 return _IMP_kernel.ScoreState_do_get_interactions(self)
4893 _IMP_kernel.ScoreState_swigregister(ScoreState)
4896 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
4897 return _IMP_kernel.get_update_order(input)
4898 class Constraint(ScoreState):
4899 r"""Proxy of C++ IMP::Constraint class."""
4901 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4903 def __init__(self, *args):
4905 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
4906 __init__(Constraint self) -> Constraint
4908 if self.__class__ == Constraint:
4912 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
4914 if self.__class__ != Constraint:
4915 _director_objects.register(self)
4920 def do_update_attributes(self):
4921 r"""do_update_attributes(Constraint self)"""
4922 return _IMP_kernel.Constraint_do_update_attributes(self)
4924 def do_update_derivatives(self, da):
4925 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4926 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4928 def do_before_evaluate(self):
4929 r"""do_before_evaluate(Constraint self)"""
4930 return _IMP_kernel.Constraint_do_before_evaluate(self)
4932 def do_after_evaluate(self, da):
4933 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4934 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4935 __swig_destroy__ = _IMP_kernel.delete_Constraint
4938 r"""__str__(Constraint self) -> std::string"""
4939 return _IMP_kernel.Constraint___str__(self)
4942 r"""__repr__(Constraint self) -> std::string"""
4943 return _IMP_kernel.Constraint___repr__(self)
4947 return _object_cast_to_Constraint(o)
4950 def do_show(self, out):
4955 return _object_cast_to_Constraint(o)
4957 def __disown__(self):
4959 _IMP_kernel.disown_Constraint(self)
4960 return weakref.proxy(self)
4963 r"""do_destroy(Constraint self)"""
4964 return _IMP_kernel.Constraint_do_destroy(self)
4966 def do_get_inputs(self):
4967 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4968 return _IMP_kernel.Constraint_do_get_inputs(self)
4970 def do_get_outputs(self):
4971 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4972 return _IMP_kernel.Constraint_do_get_outputs(self)
4974 def do_get_interactions(self):
4975 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4976 return _IMP_kernel.Constraint_do_get_interactions(self)
4979 _IMP_kernel.Constraint_swigregister(Constraint)
4980 class Container(ModelObject):
4981 r"""Proxy of C++ IMP::Container class."""
4983 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4985 def __init__(self, *args):
4987 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4988 __init__(Container self) -> Container
4990 if self.__class__ == Container:
4994 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4996 if self.__class__ != Container:
4997 _director_objects.register(self)
5002 def do_get_contents_hash(self):
5003 r"""do_get_contents_hash(Container self) -> std::size_t"""
5004 return _IMP_kernel.Container_do_get_contents_hash(self)
5006 def get_all_possible_indexes(self):
5007 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
5008 return _IMP_kernel.Container_get_all_possible_indexes(self)
5010 def get_contents_hash(self):
5011 r"""get_contents_hash(Container self) -> std::size_t"""
5012 return _IMP_kernel.Container_get_contents_hash(self)
5014 def do_get_outputs(self):
5015 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
5016 return _IMP_kernel.Container_do_get_outputs(self)
5018 def get_is_decomposable(self):
5019 r"""get_is_decomposable(Container self) -> bool"""
5020 return _IMP_kernel.Container_get_is_decomposable(self)
5022 def validate_readable(self):
5023 r"""validate_readable(Container self)"""
5024 return _IMP_kernel.Container_validate_readable(self)
5026 def validate_writable(self):
5027 r"""validate_writable(Container self)"""
5028 return _IMP_kernel.Container_validate_writable(self)
5030 def set_is_readable(self, tf):
5031 r"""set_is_readable(Container self, bool tf)"""
5032 return _IMP_kernel.Container_set_is_readable(self, tf)
5034 def set_is_writable(self, tf):
5035 r"""set_is_writable(Container self, bool tf)"""
5036 return _IMP_kernel.Container_set_is_writable(self, tf)
5037 __swig_destroy__ = _IMP_kernel.delete_Container
5040 r"""__str__(Container self) -> std::string"""
5041 return _IMP_kernel.Container___str__(self)
5044 r"""__repr__(Container self) -> std::string"""
5045 return _IMP_kernel.Container___repr__(self)
5049 return _object_cast_to_Container(o)
5052 def do_show(self, out):
5057 return _object_cast_to_Container(o)
5059 def __disown__(self):
5061 _IMP_kernel.disown_Container(self)
5062 return weakref.proxy(self)
5065 r"""do_destroy(Container self)"""
5066 return _IMP_kernel.Container_do_destroy(self)
5068 def handle_set_has_required_score_states(self, arg0):
5069 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
5070 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
5072 def do_get_inputs(self):
5073 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
5074 return _IMP_kernel.Container_do_get_inputs(self)
5076 def do_get_interactions(self):
5077 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
5078 return _IMP_kernel.Container_do_get_interactions(self)
5081 _IMP_kernel.Container_swigregister(Container)
5082 class RestraintInfo(
Object):
5083 r"""Proxy of C++ IMP::RestraintInfo class."""
5085 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5087 def __init__(self, *args):
5088 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
5089 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
5092 r"""clear(RestraintInfo self)"""
5093 return _IMP_kernel.RestraintInfo_clear(self)
5095 def add_int(self, key, value):
5096 r"""add_int(RestraintInfo self, std::string key, int value)"""
5097 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
5099 def get_number_of_int(self):
5100 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
5101 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
5103 def get_int_key(self, i):
5104 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
5105 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
5107 def get_int_value(self, i):
5108 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
5109 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
5111 def add_float(self, key, value):
5112 r"""add_float(RestraintInfo self, std::string key, double value)"""
5113 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
5115 def get_number_of_float(self):
5116 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
5117 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
5119 def get_float_key(self, i):
5120 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
5121 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
5123 def get_float_value(self, i):
5124 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
5125 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
5127 def add_string(self, key, value):
5128 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
5129 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
5131 def get_number_of_string(self):
5132 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
5133 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
5135 def get_string_key(self, i):
5136 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
5137 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
5139 def get_string_value(self, i):
5140 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
5141 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
5143 def add_filename(self, key, value):
5144 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
5145 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
5147 def get_number_of_filename(self):
5148 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
5149 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
5151 def get_filename_key(self, i):
5152 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
5153 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
5155 def get_filename_value(self, i):
5156 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
5157 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
5159 def add_floats(self, key, value):
5160 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
5161 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
5163 def get_number_of_floats(self):
5164 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
5165 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
5167 def get_floats_key(self, i):
5168 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
5169 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
5171 def get_floats_value(self, i):
5172 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
5173 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
5175 def add_ints(self, key, value):
5176 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
5177 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
5179 def get_number_of_ints(self):
5180 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
5181 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
5183 def get_ints_key(self, i):
5184 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
5185 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
5187 def get_ints_value(self, i):
5188 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
5189 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
5191 def add_strings(self, key, value):
5192 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
5193 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
5195 def get_number_of_strings(self):
5196 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
5197 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
5199 def get_strings_key(self, i):
5200 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
5201 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
5203 def get_strings_value(self, i):
5204 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5205 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
5207 def add_filenames(self, key, value):
5208 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
5209 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
5211 def get_number_of_filenames(self):
5212 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
5213 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
5215 def get_filenames_key(self, i):
5216 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
5217 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
5219 def get_filenames_value(self, i):
5220 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5221 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
5223 def add_particle_indexes(self, key, value):
5224 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
5225 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
5227 def get_number_of_particle_indexes(self):
5228 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
5229 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
5231 def get_particle_indexes_key(self, i):
5232 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
5233 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
5235 def get_particle_indexes_value(self, i):
5236 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
5237 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
5240 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
5241 return _IMP_kernel.RestraintInfo_get_version_info(self)
5242 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
5245 r"""__str__(RestraintInfo self) -> std::string"""
5246 return _IMP_kernel.RestraintInfo___str__(self)
5249 r"""__repr__(RestraintInfo self) -> std::string"""
5250 return _IMP_kernel.RestraintInfo___repr__(self)
5254 return _object_cast_to_RestraintInfo(o)
5258 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
5259 class Restraint(ModelObject):
5260 r"""Proxy of C++ IMP::Restraint class."""
5262 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5264 def __init__(self, *args):
5266 __init__(Restraint self, Model m, std::string name) -> Restraint
5267 __init__(Restraint self) -> Restraint
5269 if self.__class__ == Restraint:
5273 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
5275 if self.__class__ != Restraint:
5276 _director_objects.register(self)
5281 def get_score(self):
5282 r"""get_score(Restraint self) -> double"""
5283 return _IMP_kernel.Restraint_get_score(self)
5285 def evaluate(self, calc_derivs):
5286 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
5287 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
5289 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
5290 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5291 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
5293 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
5294 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5295 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
5297 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
5298 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5299 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
5301 def evaluate_if_good(self, calc_derivatives):
5302 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
5303 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
5305 def evaluate_if_below(self, calc_derivatives, max):
5306 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
5307 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
5309 def unprotected_evaluate(self, da):
5310 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
5311 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
5313 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
5314 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5315 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
5317 def unprotected_evaluate_if_good(self, da, max):
5318 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
5319 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
5321 def unprotected_evaluate_if_below(self, da, max):
5322 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
5323 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
5325 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
5326 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5327 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
5329 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
5330 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5331 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
5333 def get_static_info(self):
5334 r"""get_static_info(Restraint self) -> RestraintInfo"""
5335 return _IMP_kernel.Restraint_get_static_info(self)
5337 def get_dynamic_info(self):
5338 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
5339 return _IMP_kernel.Restraint_get_dynamic_info(self)
5341 def add_score_and_derivatives(self, sa):
5342 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5343 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
5345 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5346 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5347 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5350 r"""create_decomposition(Restraint self) -> Restraint"""
5351 return _IMP_kernel.Restraint_create_decomposition(self)
5353 def create_current_decomposition(self):
5354 r"""create_current_decomposition(Restraint self) -> Restraint"""
5355 return _IMP_kernel.Restraint_create_current_decomposition(self)
5357 def set_weight(self, weight):
5358 r"""set_weight(Restraint self, IMP::Float weight)"""
5359 return _IMP_kernel.Restraint_set_weight(self, weight)
5361 def get_weight(self):
5362 r"""get_weight(Restraint self) -> IMP::Float"""
5363 return _IMP_kernel.Restraint_get_weight(self)
5365 def get_maximum_score(self):
5366 r"""get_maximum_score(Restraint self) -> double"""
5367 return _IMP_kernel.Restraint_get_maximum_score(self)
5369 def set_maximum_score(self, s):
5370 r"""set_maximum_score(Restraint self, double s)"""
5371 return _IMP_kernel.Restraint_set_maximum_score(self, s)
5374 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
5375 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
5377 def set_last_score(self, s):
5378 r"""set_last_score(Restraint self, double s)"""
5379 return _IMP_kernel.Restraint_set_last_score(self, s)
5381 def set_last_last_score(self, s):
5382 r"""set_last_last_score(Restraint self, double s)"""
5383 return _IMP_kernel.Restraint_set_last_last_score(self, s)
5385 def get_last_score(self):
5386 r"""get_last_score(Restraint self) -> double"""
5387 return _IMP_kernel.Restraint_get_last_score(self)
5389 def get_last_last_score(self):
5390 r"""get_last_last_score(Restraint self) -> double"""
5391 return _IMP_kernel.Restraint_get_last_last_score(self)
5393 def get_is_aggregate(self):
5394 r"""get_is_aggregate(Restraint self) -> bool"""
5395 return _IMP_kernel.Restraint_get_is_aggregate(self)
5397 def get_was_good(self):
5398 r"""get_was_good(Restraint self) -> bool"""
5399 return _IMP_kernel.Restraint_get_was_good(self)
5400 __swig_destroy__ = _IMP_kernel.delete_Restraint
5402 def do_create_decomposition(self):
5403 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
5404 return _IMP_kernel.Restraint_do_create_decomposition(self)
5406 def do_create_current_decomposition(self):
5407 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
5408 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
5410 def do_add_score_and_derivatives(self, sa):
5411 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5412 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
5414 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5415 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5416 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5418 def do_get_outputs(self):
5419 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
5420 return _IMP_kernel.Restraint_do_get_outputs(self)
5421 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
5424 r"""__str__(Restraint self) -> std::string"""
5425 return _IMP_kernel.Restraint___str__(self)
5428 r"""__repr__(Restraint self) -> std::string"""
5429 return _IMP_kernel.Restraint___repr__(self)
5433 return _object_cast_to_Restraint(o)
5436 def do_show(self, out):
5441 return _object_cast_to_Restraint(o)
5444 def _wrap_jax(self, score_func, keys=None):
5445 """Create the return value for _get_jax.
5446 Use this method in _get_jax() to wrap the JAX scoring function
5447 with other model- and restraint-specific information.
5449 @param score_func A function implemented using JAX that takes
5450 a single argument (the current JAX Model) and returns
5451 the score of the restraint.
5452 @param keys If given, a set of IMP::Key objects describing Model
5453 attributes (other than xyz and radius) that the restraint
5454 uses. For example, a restraint that uses electrostatic charge
5455 would pass IMP::atom::Charged::get_charge_key() here.
5457 from IMP._jax_util
import JAXRestraintInfo
5458 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
5459 weight=self.get_weight(), keys=keys)
5461 def _get_jax(self, space):
5462 """Return a JAX implementation of this Restraint.
5463 Implement this method in a Restraint subclass to provide
5464 an equivalent function using [JAX](https://docs.jax.dev/)
5465 that scores the current JAX Model. See also _wrap_jax.
5467 @param space The space in which the restraint is evaluated
5468 (e.g. a periodic box). See IMP._jax_util.Space.
5470 raise NotImplementedError(
5471 f
"No JAX implementation for {self} ({type(self)})")
5473 def _evaluate_jax(self, space=None):
5474 """Similar to evaluate(False), but using JAX.
5475 This is intended to be useful for testing purposes. It will likely
5476 not be particularly fast as it will copy the IMP Model and
5477 jax.jit-compile the scoring function each time.
5479 @param space The space in which the restraint is evaluated
5480 (e.g. a periodic box). See IMP._jax_util.Space. If not
5481 specified, an unbounded (free) space is used.
5486 jm = ji.get_jax_model()
5487 j = jax.jit(ji.score_func)
5490 def __disown__(self):
5492 _IMP_kernel.disown_Restraint(self)
5493 return weakref.proxy(self)
5496 r"""do_destroy(Restraint self)"""
5497 return _IMP_kernel.Restraint_do_destroy(self)
5499 def handle_set_has_required_score_states(self, arg0):
5500 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
5501 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
5503 def do_get_inputs(self):
5504 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
5505 return _IMP_kernel.Restraint_do_get_inputs(self)
5507 def do_get_interactions(self):
5508 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
5509 return _IMP_kernel.Restraint_do_get_interactions(self)
5512 _IMP_kernel.Restraint_swigregister(Restraint)
5513 class _RestraintsAdaptor(_InputAdaptor):
5514 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
5516 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5517 __repr__ = _swig_repr
5519 def __init__(self, *args):
5521 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
5522 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
5523 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
5524 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
5526 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
5527 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
5530 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
5531 class RestraintSet(Restraint):
5532 r"""Proxy of C++ IMP::RestraintSet class."""
5534 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5536 def __init__(self, *args):
5538 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5539 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
5540 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5541 __init__(RestraintSet self) -> RestraintSet
5543 if self.__class__ == RestraintSet:
5547 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
5549 if self.__class__ != RestraintSet:
5550 _director_objects.register(self)
5555 def unprotected_evaluate(self, da):
5556 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
5557 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
5559 def get_type_name(self):
5560 r"""get_type_name(RestraintSet self) -> std::string"""
5561 return _IMP_kernel.RestraintSet_get_type_name(self)
5564 r"""get_version_info(RestraintSet self) -> VersionInfo"""
5565 return _IMP_kernel.RestraintSet_get_version_info(self)
5566 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
5567 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)
5568 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
5569 def __del_restraints(self): _list_util.del_varlist(self.restraints)
5570 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
5572 def remove_restraint(self, d):
5573 r"""remove_restraint(RestraintSet self, Restraint d)"""
5574 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
5576 def _python_index_restraint(self, d, start, stop):
5577 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
5578 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
5580 def remove_restraints(self, d):
5581 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
5582 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
5584 def set_restraints(self, ps):
5585 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
5586 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
5588 def set_restraints_order(self, objs):
5589 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
5590 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
5593 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
5594 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
5597 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
5598 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
5600 def clear_restraints(self):
5601 r"""clear_restraints(RestraintSet self)"""
5602 return _IMP_kernel.RestraintSet_clear_restraints(self)
5604 def get_number_of_restraints(self):
5605 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
5606 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
5608 def get_has_restraints(self):
5609 r"""get_has_restraints(RestraintSet self) -> bool"""
5610 return _IMP_kernel.RestraintSet_get_has_restraints(self)
5612 def get_restraint(self, i):
5613 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
5614 return _IMP_kernel.RestraintSet_get_restraint(self, i)
5616 def get_restraints(self):
5617 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
5618 return _IMP_kernel.RestraintSet_get_restraints(self)
5620 def erase_restraint(self, i):
5621 r"""erase_restraint(RestraintSet self, unsigned int i)"""
5622 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
5624 def reserve_restraints(self, sz):
5625 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
5626 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
5628 def get_non_sets_and_sets(self):
5629 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
5630 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
5632 def do_get_inputs(self):
5633 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5634 return _IMP_kernel.RestraintSet_do_get_inputs(self)
5637 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
5638 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
5640 def get_last_score(self):
5641 r"""get_last_score(RestraintSet self) -> double"""
5642 return _IMP_kernel.RestraintSet_get_last_score(self)
5645 r"""__str__(RestraintSet self) -> std::string"""
5646 return _IMP_kernel.RestraintSet___str__(self)
5649 r"""__repr__(RestraintSet self) -> std::string"""
5650 return _IMP_kernel.RestraintSet___repr__(self)
5654 return _object_cast_to_RestraintSet(o)
5657 def do_show(self, out):
5662 return _object_cast_to_RestraintSet(o)
5665 def _get_as_binary(self):
5666 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
5667 return _IMP_kernel.RestraintSet__get_as_binary(self)
5669 def _set_from_binary(self, p):
5670 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
5671 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
5673 def __getstate__(self):
5674 p = self._get_as_binary()
5675 if len(self.__dict__) > 1:
5676 d = self.__dict__.copy()
5681 def __setstate__(self, p):
5682 if not hasattr(self,
'this'):
5684 if isinstance(p, tuple):
5686 self.__dict__.update(d)
5687 return self._set_from_binary(p)
5690 def _get_restraint_jax_funcs_keys(self, space):
5691 jis = [r.get_derived_object()._get_jax(space)
for r
in self.restraints]
5692 funcs = [j.score_func
for j
in jis]
5693 keys = frozenset(x
for j
in jis
for x
in j._keys)
5696 def _get_jax(self, space):
5697 funcs, keys = self._get_restraint_jax_funcs_keys(space)
5700 return sum(f(jm)
for f
in funcs)
5704 return self._wrap_jax(jax_sf, keys=keys)
5706 def __disown__(self):
5708 _IMP_kernel.disown_RestraintSet(self)
5709 return weakref.proxy(self)
5712 r"""do_destroy(RestraintSet self)"""
5713 return _IMP_kernel.RestraintSet_do_destroy(self)
5715 def handle_set_has_required_score_states(self, arg0):
5716 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
5717 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
5719 def do_get_outputs(self):
5720 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5721 return _IMP_kernel.RestraintSet_do_get_outputs(self)
5723 def do_get_interactions(self):
5724 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
5725 return _IMP_kernel.RestraintSet_do_get_interactions(self)
5727 def do_create_decomposition(self):
5728 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
5729 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
5731 def do_create_current_decomposition(self):
5732 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
5733 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
5735 def do_add_score_and_derivatives(self, sa):
5736 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
5737 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
5739 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5740 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5741 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5744 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
5746 def get_restraints(rs):
5747 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
5748 return _IMP_kernel.get_restraints(rs)
5750 def _check_particle(p, a):
5751 if (
not p.get_is_active()):
5752 raise ValueError(
"Inactive Particle")
5753 if (type(a)() == a):
5754 raise IndexError(
"Cannot use default Index")
5755 if (
not p.has_attribute(a)):
5756 raise IndexError(
"Particle does not have attribute")
5758 class Particle(ModelObject):
5759 r"""Proxy of C++ IMP::Particle class."""
5761 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5764 r"""get_version_info(Particle self) -> VersionInfo"""
5765 return _IMP_kernel.Particle_get_version_info(self)
5766 __swig_destroy__ = _IMP_kernel.delete_Particle
5768 def __init__(self, *args):
5770 __init__(Particle self, Model m, std::string name) -> Particle
5771 __init__(Particle self, Model m) -> Particle
5772 __init__(Particle self) -> Particle
5774 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
5776 def get_float_keys(self):
5777 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
5778 return _IMP_kernel.Particle_get_float_keys(self)
5780 def get_floats_keys(self):
5781 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
5782 return _IMP_kernel.Particle_get_floats_keys(self)
5784 def get_int_keys(self):
5785 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
5786 return _IMP_kernel.Particle_get_int_keys(self)
5788 def get_ints_keys(self):
5789 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
5790 return _IMP_kernel.Particle_get_ints_keys(self)
5792 def get_string_keys(self):
5793 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
5794 return _IMP_kernel.Particle_get_string_keys(self)
5796 def get_object_keys(self):
5797 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
5798 return _IMP_kernel.Particle_get_object_keys(self)
5800 def add_cache_attribute(self, *args):
5802 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
5803 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
5804 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
5805 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
5806 add_cache_attribute(Particle self, StringKey name, IMP::String value)
5807 add_cache_attribute(Particle self, ObjectKey name, Object value)
5808 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
5810 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
5812 def get_weak_object_keys(self):
5813 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
5814 return _IMP_kernel.Particle_get_weak_object_keys(self)
5816 def add_to_derivative(self, *args):
5818 add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)
5819 add_to_derivative(Particle self, Vector3DDerivKey key, Vector3D value, DerivativeAccumulator da)
5820 add_to_derivative(Particle self, Vector4DDerivKey key, Vector4D value, DerivativeAccumulator da)
5822 return _IMP_kernel.Particle_add_to_derivative(self, *args)
5824 def set_is_optimized(self, *args):
5826 set_is_optimized(Particle self, FloatKey k, bool tf)
5827 set_is_optimized(Particle self, Vector3DDerivKey k, bool tf)
5828 set_is_optimized(Particle self, Vector4DDerivKey k, bool tf)
5830 return _IMP_kernel.Particle_set_is_optimized(self, *args)
5832 def get_is_optimized(self, *args):
5834 get_is_optimized(Particle self, FloatKey k) -> bool
5835 get_is_optimized(Particle self, Vector3DDerivKey k) -> bool
5836 get_is_optimized(Particle self, Vector4DDerivKey k) -> bool
5838 return _IMP_kernel.Particle_get_is_optimized(self, *args)
5840 def get_derivative(self, *args):
5842 get_derivative(Particle self, FloatKey k) -> IMP::Float
5843 get_derivative(Particle self, Vector3DDerivKey k) -> Vector3D
5844 get_derivative(Particle self, Vector4DDerivKey k) -> Vector4D
5846 return _IMP_kernel.Particle_get_derivative(self, *args)
5848 def add_attribute(self, *args):
5850 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
5851 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
5852 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
5853 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
5854 add_attribute(Particle self, StringKey name, IMP::String initial_value)
5855 add_attribute(Particle self, ObjectKey name, Object initial_value)
5856 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
5857 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
5858 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
5859 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
5860 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
5861 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
5862 add_attribute(Particle self, ParticleIndexKey k, Particle v)
5864 return _IMP_kernel.Particle_add_attribute(self, *args)
5866 def has_attribute(self, *args):
5868 has_attribute(Particle self, FloatKey name) -> bool
5869 has_attribute(Particle self, FloatsKey name) -> bool
5870 has_attribute(Particle self, IntKey name) -> bool
5871 has_attribute(Particle self, IntsKey name) -> bool
5872 has_attribute(Particle self, StringKey name) -> bool
5873 has_attribute(Particle self, ObjectKey name) -> bool
5874 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
5875 has_attribute(Particle self, SparseStringKey name) -> bool
5876 has_attribute(Particle self, SparseIntKey name) -> bool
5877 has_attribute(Particle self, SparseFloatKey name) -> bool
5878 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
5879 has_attribute(Particle self, ParticleIndexKey k) -> bool
5881 return _IMP_kernel.Particle_has_attribute(self, *args)
5883 def set_value(self, *args):
5885 set_value(Particle self, FloatKey name, IMP::Float value)
5886 set_value(Particle self, FloatsKey name, IMP::Floats value)
5887 set_value(Particle self, IntKey name, IMP::Int value)
5888 set_value(Particle self, IntsKey name, IMP::Ints value)
5889 set_value(Particle self, StringKey name, IMP::String value)
5890 set_value(Particle self, ObjectKey name, Object value)
5891 set_value(Particle self, IMP::WeakObjectKey name, Object value)
5892 set_value(Particle self, SparseStringKey name, IMP::String value)
5893 set_value(Particle self, SparseIntKey name, IMP::Int value)
5894 set_value(Particle self, SparseFloatKey name, IMP::Float value)
5895 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
5896 set_value(Particle self, ParticleIndexKey k, Particle v)
5898 return _IMP_kernel.Particle_set_value(self, *args)
5900 def get_value(self, *args):
5902 get_value(Particle self, FloatKey name) -> IMP::Float
5903 get_value(Particle self, FloatsKey name) -> IMP::Floats
5904 get_value(Particle self, IntKey name) -> IMP::Int
5905 get_value(Particle self, IntsKey name) -> IMP::Ints
5906 get_value(Particle self, StringKey name) -> IMP::String
5907 get_value(Particle self, ObjectKey name) -> Object
5908 get_value(Particle self, IMP::WeakObjectKey name) -> Object
5909 get_value(Particle self, SparseStringKey name) -> IMP::String
5910 get_value(Particle self, SparseIntKey name) -> IMP::Int
5911 get_value(Particle self, SparseFloatKey name) -> IMP::Float
5912 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
5913 get_value(Particle self, ParticleIndexKey k) -> Particle
5915 return _IMP_kernel.Particle_get_value(self, *args)
5917 def remove_attribute(self, *args):
5919 remove_attribute(Particle self, FloatKey name)
5920 remove_attribute(Particle self, FloatsKey name)
5921 remove_attribute(Particle self, IntKey name)
5922 remove_attribute(Particle self, IntsKey name)
5923 remove_attribute(Particle self, StringKey name)
5924 remove_attribute(Particle self, ObjectKey name)
5925 remove_attribute(Particle self, IMP::WeakObjectKey name)
5926 remove_attribute(Particle self, SparseStringKey name)
5927 remove_attribute(Particle self, SparseIntKey name)
5928 remove_attribute(Particle self, SparseFloatKey name)
5929 remove_attribute(Particle self, SparseParticleIndexKey name)
5930 remove_attribute(Particle self, ParticleIndexKey k)
5932 return _IMP_kernel.Particle_remove_attribute(self, *args)
5934 def get_particle_keys(self):
5935 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
5936 return _IMP_kernel.Particle_get_particle_keys(self)
5938 def show(self, *args):
5939 r"""show(Particle self, _ostream out=std::cout)"""
5940 return _IMP_kernel.Particle_show(self, *args)
5942 def get_is_active(self):
5943 r"""get_is_active(Particle self) -> bool"""
5944 return _IMP_kernel.Particle_get_is_active(self)
5947 r"""get_index(Particle self) -> ParticleIndex"""
5948 return _IMP_kernel.Particle_get_index(self)
5950 def __eq__(self, *args):
5952 __eq__(Particle self, Particle o) -> bool
5953 __eq__(Particle self, Decorator d) -> bool
5955 return _IMP_kernel.Particle___eq__(self, *args)
5957 def __ne__(self, *args):
5959 __ne__(Particle self, Particle o) -> bool
5960 __ne__(Particle self, Decorator d) -> bool
5962 return _IMP_kernel.Particle___ne__(self, *args)
5964 def __le__(self, *args):
5966 __le__(Particle self, Particle o) -> bool
5967 __le__(Particle self, Decorator d) -> bool
5969 return _IMP_kernel.Particle___le__(self, *args)
5971 def __lt__(self, *args):
5973 __lt__(Particle self, Particle o) -> bool
5974 __lt__(Particle self, Decorator d) -> bool
5976 return _IMP_kernel.Particle___lt__(self, *args)
5978 def __ge__(self, *args):
5980 __ge__(Particle self, Particle o) -> bool
5981 __ge__(Particle self, Decorator d) -> bool
5983 return _IMP_kernel.Particle___ge__(self, *args)
5985 def __gt__(self, *args):
5987 __gt__(Particle self, Particle o) -> bool
5988 __gt__(Particle self, Decorator d) -> bool
5990 return _IMP_kernel.Particle___gt__(self, *args)
5992 __hash__ = ModelObject.__hash__
5996 r"""__str__(Particle self) -> std::string"""
5997 return _IMP_kernel.Particle___str__(self)
6000 r"""__repr__(Particle self) -> std::string"""
6001 return _IMP_kernel.Particle___repr__(self)
6005 return _object_cast_to_Particle(o)
6008 def _get_as_binary(self):
6009 r"""_get_as_binary(Particle self) -> PyObject *"""
6010 return _IMP_kernel.Particle__get_as_binary(self)
6012 def _set_from_binary(self, p):
6013 r"""_set_from_binary(Particle self, PyObject * p)"""
6014 return _IMP_kernel.Particle__set_from_binary(self, p)
6016 def __getstate__(self):
6017 p = self._get_as_binary()
6018 if len(self.__dict__) > 1:
6019 d = self.__dict__.copy()
6024 def __setstate__(self, p):
6025 if not hasattr(self,
'this'):
6027 if isinstance(p, tuple):
6029 self.__dict__.update(d)
6030 return self._set_from_binary(p)
6034 _IMP_kernel.Particle_swigregister(Particle)
6035 class _ParticleAdaptor(_InputAdaptor):
6036 r"""Proxy of C++ IMP::ParticleAdaptor class."""
6038 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6039 __repr__ = _swig_repr
6041 def __init__(self, *args):
6043 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
6044 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
6045 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
6047 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
6049 def get_model(self):
6050 r"""get_model(_ParticleAdaptor self) -> Model"""
6051 return _IMP_kernel._ParticleAdaptor_get_model(self)
6053 def get_particle_index(self):
6054 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
6055 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
6056 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
6059 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
6060 class _DependencyGraphVertexIndex(object):
6061 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
6063 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6064 __repr__ = _swig_repr
6067 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
6068 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
6069 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
6072 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
6074 def show_as_graphviz(name, out):
6075 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
6076 return _IMP_kernel.show_as_graphviz(name, out)
6078 def get_vertex_index(g):
6079 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
6080 return _IMP_kernel.get_vertex_index(g)
6083 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
6084 return _IMP_kernel.get_dependency_graph(m)
6087 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
6088 return _IMP_kernel.get_pruned_dependency_graph(m)
6090 def get_dependent_particles(p, all, dg, index):
6091 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
6092 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
6094 def get_required_score_states(*args):
6096 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
6097 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
6098 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
6100 return _IMP_kernel.get_required_score_states(*args)
6101 class ScoringFunction(ModelObject):
6102 r"""Proxy of C++ IMP::ScoringFunction class."""
6104 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6106 def do_add_score_and_derivatives(self, sa, ss):
6107 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
6108 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
6110 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
6111 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)"""
6112 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
6114 def get_score_accumulator_if_below(self, deriv, max):
6115 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
6116 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
6118 def get_score_accumulator_if_good(self, deriv):
6119 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6120 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
6122 def get_score_accumulator(self, deriv):
6123 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6124 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
6126 def __init__(self, *args):
6128 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
6129 __init__(ScoringFunction self) -> ScoringFunction
6131 if self.__class__ == ScoringFunction:
6135 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
6137 if self.__class__ != ScoringFunction:
6138 _director_objects.register(self)
6143 def do_get_outputs(self):
6144 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6145 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
6147 def evaluate(self, derivatives):
6148 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
6149 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
6151 def evaluate_if_good(self, derivatives):
6152 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
6153 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
6155 def evaluate_if_below(self, derivatives, max):
6156 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
6157 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
6159 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
6160 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6161 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
6163 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
6164 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
6165 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
6167 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
6168 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6169 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
6171 def get_had_good_score(self):
6172 r"""get_had_good_score(ScoringFunction self) -> bool"""
6173 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
6175 def get_last_score(self):
6176 r"""get_last_score(ScoringFunction self) -> double"""
6177 return _IMP_kernel.ScoringFunction_get_last_score(self)
6180 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
6181 return _IMP_kernel.ScoringFunction_create_restraints(self)
6183 def get_single_restraint(self):
6184 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
6185 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
6188 r"""__str__(ScoringFunction self) -> std::string"""
6189 return _IMP_kernel.ScoringFunction___str__(self)
6192 r"""__repr__(ScoringFunction self) -> std::string"""
6193 return _IMP_kernel.ScoringFunction___repr__(self)
6197 return _object_cast_to_ScoringFunction(o)
6200 def do_show(self, out):
6205 return _object_cast_to_ScoringFunction(o)
6208 def _get_jax(self, space=None):
6211 r = self.get_single_restraint()
6213 raise NotImplementedError(
6214 f
"No JAX implementation for {self} ({type(self)})")
6216 return r.get_derived_object()._get_jax(space)
6218 def _evaluate_jax(self, space=None):
6219 """Similar to evaluate(False), but using JAX.
6220 This is intended to be useful for testing purposes. It will likely
6221 not be particularly fast as it will copy the IMP Model and
6222 jax.jit-compile the scoring function each time.
6224 @param space The space in which the scoring function is evaluated
6225 (e.g. a periodic box). See IMP._jax_util.Space. If not
6226 specified, an unbounded (free) space is used.
6229 ji = self._get_jax(space)
6230 jm = ji.get_jax_model()
6231 j = jax.jit(ji.score_func)
6234 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
6235 def __disown__(self):
6237 _IMP_kernel.disown_ScoringFunction(self)
6238 return weakref.proxy(self)
6241 r"""do_destroy(ScoringFunction self)"""
6242 return _IMP_kernel.ScoringFunction_do_destroy(self)
6244 def handle_set_has_required_score_states(self, arg0):
6245 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
6246 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
6248 def do_get_inputs(self):
6249 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6250 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
6252 def do_get_interactions(self):
6253 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
6254 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
6257 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
6261 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
6262 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
6264 return _IMP_kernel.create_decomposition(*args)
6265 class _ScoringFunctionAdaptor(_InputAdaptor):
6266 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
6268 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6269 __repr__ = _swig_repr
6271 def __init__(self, *args):
6273 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
6274 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
6275 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
6276 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
6277 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
6279 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
6280 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
6283 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
6286 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
6287 return _IMP_kernel.show_restraint_hierarchy(*args)
6288 class Undecorator(
Object):
6289 r"""Proxy of C++ IMP::Undecorator class."""
6291 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6293 def __init__(self, m, name):
6294 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
6295 if self.__class__ == Undecorator:
6299 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
6301 if self.__class__ != Undecorator:
6302 _director_objects.register(self)
6307 def teardown(self, pi):
6308 r"""teardown(Undecorator self, ParticleIndex pi)"""
6309 return _IMP_kernel.Undecorator_teardown(self, pi)
6312 r"""__str__(Undecorator self) -> std::string"""
6313 return _IMP_kernel.Undecorator___str__(self)
6316 r"""__repr__(Undecorator self) -> std::string"""
6317 return _IMP_kernel.Undecorator___repr__(self)
6321 return _object_cast_to_Undecorator(o)
6324 def do_show(self, out):
6329 return _object_cast_to_Undecorator(o)
6331 __swig_destroy__ = _IMP_kernel.delete_Undecorator
6332 def __disown__(self):
6334 _IMP_kernel.disown_Undecorator(self)
6335 return weakref.proxy(self)
6338 r"""do_destroy(Undecorator self)"""
6339 return _IMP_kernel.Undecorator_do_destroy(self)
6342 _IMP_kernel.Undecorator_swigregister(Undecorator)
6344 r"""Proxy of C++ IMP::Model class."""
6346 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6348 def __init__(self, *args):
6349 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
6350 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
6352 if self
not in _models_set:
6353 _models_set.add(self)
6358 def clear_particle_caches(self, pi):
6359 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
6360 return _IMP_kernel.Model_clear_particle_caches(self, pi)
6363 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
6364 return _IMP_kernel.Model_add_particle(self, name)
6366 def get_particle_name(self, pi):
6367 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
6368 return _IMP_kernel.Model_get_particle_name(self, pi)
6370 def add_undecorator(self, pi, d):
6371 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
6372 return _IMP_kernel.Model_add_undecorator(self, pi, d)
6374 def get_dependent_restraints_uncached(self, pi):
6375 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
6376 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
6378 def get_dependent_particles_uncached(self, pi):
6379 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
6380 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
6382 def get_dependent_score_states_uncached(self, pi):
6383 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
6384 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
6385 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)
6386 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
6387 def __del_score_states(self): _list_util.del_varlist(self.score_states)
6388 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
6390 def remove_score_state(self, d):
6391 r"""remove_score_state(Model self, ScoreState d)"""
6392 return _IMP_kernel.Model_remove_score_state(self, d)
6394 def _python_index_score_state(self, d, start, stop):
6395 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
6396 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
6398 def remove_score_states(self, d):
6399 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
6400 return _IMP_kernel.Model_remove_score_states(self, d)
6402 def set_score_states(self, ps):
6403 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
6404 return _IMP_kernel.Model_set_score_states(self, ps)
6406 def set_score_states_order(self, objs):
6407 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
6408 return _IMP_kernel.Model_set_score_states_order(self, objs)
6410 def add_score_state(self, obj):
6411 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
6412 return _IMP_kernel.Model_add_score_state(self, obj)
6414 def add_score_states(self, objs):
6415 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
6416 return _IMP_kernel.Model_add_score_states(self, objs)
6418 def clear_score_states(self):
6419 r"""clear_score_states(Model self)"""
6420 return _IMP_kernel.Model_clear_score_states(self)
6422 def get_number_of_score_states(self):
6423 r"""get_number_of_score_states(Model self) -> unsigned int"""
6424 return _IMP_kernel.Model_get_number_of_score_states(self)
6426 def get_has_score_states(self):
6427 r"""get_has_score_states(Model self) -> bool"""
6428 return _IMP_kernel.Model_get_has_score_states(self)
6430 def get_score_state(self, i):
6431 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
6432 return _IMP_kernel.Model_get_score_state(self, i)
6434 def get_score_states(self):
6435 r"""get_score_states(Model self) -> IMP::ScoreStates"""
6436 return _IMP_kernel.Model_get_score_states(self)
6438 def erase_score_state(self, i):
6439 r"""erase_score_state(Model self, unsigned int i)"""
6440 return _IMP_kernel.Model_erase_score_state(self, i)
6442 def reserve_score_states(self, sz):
6443 r"""reserve_score_states(Model self, unsigned int sz)"""
6444 return _IMP_kernel.Model_reserve_score_states(self, sz)
6447 r"""update(Model self)"""
6448 return _IMP_kernel.Model_update(self)
6450 def get_ordered_score_states(self):
6451 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
6452 return _IMP_kernel.Model_get_ordered_score_states(self)
6454 def add_cache_attribute(self, *args):
6456 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6457 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6458 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6459 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6460 add_cache_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6461 add_cache_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6462 add_cache_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6463 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6464 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6465 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6466 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6467 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6468 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6470 return _IMP_kernel.Model_add_cache_attribute(self, *args)
6472 def add_attribute(self, *args):
6474 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6475 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6476 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6477 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6478 add_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6479 add_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6480 add_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6481 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6482 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6483 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6484 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6485 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6486 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6487 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6488 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6489 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6490 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6492 return _IMP_kernel.Model_add_attribute(self, *args)
6494 def remove_attribute(self, *args):
6496 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
6497 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
6498 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
6499 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
6500 remove_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle)
6501 remove_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle)
6502 remove_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle)
6503 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
6504 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
6505 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
6506 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
6507 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
6508 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
6509 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
6510 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
6511 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
6512 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
6514 return _IMP_kernel.Model_remove_attribute(self, *args)
6516 def get_has_attribute(self, *args):
6518 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
6519 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
6520 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
6521 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
6522 get_has_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> bool
6523 get_has_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> bool
6524 get_has_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> bool
6525 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
6526 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
6527 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
6528 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6529 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
6530 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
6531 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
6532 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
6533 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
6534 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6536 return _IMP_kernel.Model_get_has_attribute(self, *args)
6538 def set_attribute(self, *args):
6540 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6541 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6542 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6543 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6544 set_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6545 set_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6546 set_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6547 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6548 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6549 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6550 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6551 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6552 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6553 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6554 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6555 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6556 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6558 return _IMP_kernel.Model_set_attribute(self, *args)
6560 def get_attribute(self, *args):
6562 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6563 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
6564 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
6565 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> Vector3D
6566 get_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> Vector4D
6567 get_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> Vector3D
6568 get_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> Vector4D
6569 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
6570 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
6571 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
6572 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6573 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
6574 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
6575 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
6576 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
6577 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6578 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6580 return _IMP_kernel.Model_get_attribute(self, *args)
6582 def set_is_optimized(self, *args):
6584 set_is_optimized(Model self, Vector3DDerivKey arg2, ParticleIndex arg3, bool arg4)
6585 set_is_optimized(Model self, Vector4DDerivKey arg2, ParticleIndex arg3, bool arg4)
6586 set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)
6588 return _IMP_kernel.Model_set_is_optimized(self, *args)
6590 def add_to_derivative(self, *args):
6592 add_to_derivative(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D v, DerivativeAccumulator da)
6593 add_to_derivative(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D v, DerivativeAccumulator da)
6594 add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)
6596 return _IMP_kernel.Model_add_to_derivative(self, *args)
6598 def get_particle(self, p):
6599 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
6600 return _IMP_kernel.Model_get_particle(self, p)
6602 def get_has_particle(self, p):
6603 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
6604 return _IMP_kernel.Model_get_has_particle(self, p)
6607 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
6608 return _IMP_kernel.Model_get_particle_indexes(self)
6610 def get_model_objects(self):
6611 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
6612 return _IMP_kernel.Model_get_model_objects(self)
6614 def remove_particle(self, pi):
6615 r"""remove_particle(Model self, ParticleIndex pi)"""
6616 return _IMP_kernel.Model_remove_particle(self, pi)
6618 def add_data(self, mk, o):
6619 r"""add_data(Model self, ModelKey mk, Object o)"""
6620 return _IMP_kernel.Model_add_data(self, mk, o)
6622 def get_data(self, mk):
6623 r"""get_data(Model self, ModelKey mk) -> Object"""
6624 return _IMP_kernel.Model_get_data(self, mk)
6626 def remove_data(self, mk):
6627 r"""remove_data(Model self, ModelKey mk)"""
6628 return _IMP_kernel.Model_remove_data(self, mk)
6630 def get_has_data(self, mk):
6631 r"""get_has_data(Model self, ModelKey mk) -> bool"""
6632 return _IMP_kernel.Model_get_has_data(self, mk)
6635 r"""get_age(Model self) -> unsigned int"""
6636 return _IMP_kernel.Model_get_age(self)
6638 def get_trigger_last_updated(self, tk):
6639 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
6640 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
6642 def set_trigger_updated(self, tk):
6643 r"""set_trigger_updated(Model self, TriggerKey tk)"""
6644 return _IMP_kernel.Model_set_trigger_updated(self, tk)
6646 def get_dependencies_updated(self):
6647 r"""get_dependencies_updated(Model self) -> unsigned int"""
6648 return _IMP_kernel.Model_get_dependencies_updated(self)
6650 def get_removed_particles_attributes_age(self):
6651 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
6652 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
6654 def save_dependencies(self):
6655 r"""save_dependencies(Model self)"""
6656 return _IMP_kernel.Model_save_dependencies(self)
6658 def restore_dependencies(self):
6659 r"""restore_dependencies(Model self)"""
6660 return _IMP_kernel.Model_restore_dependencies(self)
6662 def get_particles_size(self):
6663 r"""get_particles_size(Model self) -> unsigned int"""
6664 return _IMP_kernel.Model_get_particles_size(self)
6666 def get_unique_id(self):
6667 r"""get_unique_id(Model self) -> uint32_t"""
6668 return _IMP_kernel.Model_get_unique_id(self)
6671 def get_by_unique_id(id):
6672 r"""get_by_unique_id(uint32_t id) -> Model"""
6673 return _IMP_kernel.Model_get_by_unique_id(id)
6676 r"""get_version_info(Model self) -> VersionInfo"""
6677 return _IMP_kernel.Model_get_version_info(self)
6678 __swig_destroy__ = _IMP_kernel.delete_Model
6680 r"""__del__(Model self)"""
6682 _director_objects.cleanup()
6689 r"""do_destroy(Model self)"""
6690 return _IMP_kernel.Model_do_destroy(self)
6693 r"""__str__(Model self) -> std::string"""
6694 return _IMP_kernel.Model___str__(self)
6697 r"""__repr__(Model self) -> std::string"""
6698 return _IMP_kernel.Model___repr__(self)
6702 return _object_cast_to_Model(o)
6705 def _get_as_binary(self):
6706 r"""_get_as_binary(Model self) -> PyObject *"""
6707 return _IMP_kernel.Model__get_as_binary(self)
6709 def _set_from_binary(self, p):
6710 r"""_set_from_binary(Model self, PyObject * p)"""
6711 return _IMP_kernel.Model__set_from_binary(self, p)
6713 def __getstate__(self):
6714 p = self._get_as_binary()
6715 if len(self.__dict__) > 1:
6716 d = self.__dict__.copy()
6721 def __setstate__(self, p):
6722 if not hasattr(self,
'this'):
6724 if isinstance(p, tuple):
6726 self.__dict__.update(d)
6727 return self._set_from_binary(p)
6731 """Get the model's attribute array for IntKey k as a NumPy array.
6732 The array is indexed by ParticleIndex; particles that don't have
6733 this attribute will either be off the end of the array or will have
6735 This is a NumPy view that shares memory with the Model. Thus,
6736 any changes to values in this list will be reflected in the Model.
6737 Also, if the Model attribute array moves in memory (e.g. if particles
6738 or attributes are added) this array will be invalidated, so it is
6739 unsafe to keep it around long term.
6740 If read_only is set True, values in the array cannot be changed.
6742 return _get_ints_numpy(self, k, self, read_only)
6745 """Get the model's attribute array for any type of Key
6746 k as a NumPy array. See Model::get_ints_numpy() for more details."""
6747 _numpy_meth_map = {IntKey: _get_ints_numpy,
6748 FloatKey: _get_floats_numpy,
6749 Vector3DKey: _get_vector3ds_numpy,
6750 Vector3DDerivKey: _get_vector3dderiv_numpy,
6751 Vector4DKey: _get_vector4ds_numpy,
6752 Vector4DDerivKey: _get_vector4dderiv_numpy,
6753 ParticleIndexKey: _get_particle_indexes_numpy}
6754 return _numpy_meth_map[type(k)](self, k, self, read_only)
6757 """Get the model's attribute array for FloatKey k as a NumPy array.
6758 See Model::get_ints_numpy() for more details."""
6759 return _get_floats_numpy(self, k, self, read_only)
6762 """Get the model's attribute derivatives array for key k
6763 as a NumPy array. See Model::get_ints_numpy() for more details."""
6765 FloatKey: _get_derivatives_numpy,
6766 Vector3DDerivKey: _get_vector3dderiv_derivatives_numpy,
6767 Vector4DDerivKey: _get_vector4dderiv_derivatives_numpy}
6768 return _numpy_meth_map[type(k)](self, k, self, read_only)
6771 """Get the model's attribute array for Vector3DKey k as a NumPy array.
6772 See Model::get_ints_numpy() for more details."""
6773 return _get_vector3ds_numpy(self, k, self, read_only)
6776 """Get the model's XYZR attribute arrays as NumPy arrays.
6777 The attribute arrays for Cartesian coordinates and radii are
6778 stored separately from those for other FloatKeys. This function
6779 returns a tuple of two NumPy arrays, the first of coordinates and
6780 the second of radii. See Model::get_ints_numpy() for more details."""
6781 return _get_spheres_numpy(self, self, read_only)
6784 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
6785 See Model::get_ints_numpy() for more details."""
6786 return _get_sphere_derivatives_numpy(self, self, read_only)
6789 """Get the model's internal coordinate array as a NumPy array.
6790 The attribute arrays for rigid body internal coordinates are
6791 stored separately from those for other FloatKeys.
6792 See Model::get_ints_numpy() for more details."""
6793 return _get_internal_coordinates_numpy(self, self, read_only)
6796 """Get the model's internal coordinate derivative array as a
6798 See Model::get_ints_numpy() for more details."""
6799 return _get_internal_coordinate_derivatives_numpy(
6800 self, self, read_only)
6804 _IMP_kernel.Model_swigregister(Model)
6806 r"""Proxy of C++ IMP::Decorator class."""
6808 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6809 __repr__ = _swig_repr
6811 def __init__(self, p):
6812 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
6813 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
6815 def __ne__(self, o):
6816 r"""__ne__(Decorator self, Object o) -> bool"""
6817 return _IMP_kernel.Decorator___ne__(self, o)
6819 def __lt__(self, o):
6820 r"""__lt__(Decorator self, Object o) -> bool"""
6821 return _IMP_kernel.Decorator___lt__(self, o)
6823 def __gt__(self, o):
6824 r"""__gt__(Decorator self, Object o) -> bool"""
6825 return _IMP_kernel.Decorator___gt__(self, o)
6827 def __ge__(self, o):
6828 r"""__ge__(Decorator self, Object o) -> bool"""
6829 return _IMP_kernel.Decorator___ge__(self, o)
6831 def __le__(self, o):
6832 r"""__le__(Decorator self, Object o) -> bool"""
6833 return _IMP_kernel.Decorator___le__(self, o)
6836 r"""get_particle(Decorator self) -> Particle"""
6837 return _IMP_kernel.Decorator_get_particle(self)
6839 def get_particle_index(self):
6840 r"""get_particle_index(Decorator self) -> ParticleIndex"""
6841 return _IMP_kernel.Decorator_get_particle_index(self)
6843 def get_model(self):
6844 m = _IMP_kernel.Decorator_get_model(self)
6845 if m
in _models_set:
6846 m = _models_set_get(m)
6851 def get_is_valid(self):
6852 r"""get_is_valid(Decorator self) -> bool"""
6853 return _IMP_kernel.Decorator_get_is_valid(self)
6856 r"""__hash__(Decorator self) -> std::size_t"""
6857 return _IMP_kernel.Decorator___hash__(self)
6859 def __eq__(self, *args):
6861 __eq__(Decorator self, Object o) -> bool
6862 __eq__(Decorator self, Decorator o) -> bool
6863 __eq__(Decorator self, Particle o) -> bool
6865 return _IMP_kernel.Decorator___eq__(self, *args)
6868 r"""__bool__(Decorator self) -> bool"""
6869 return _IMP_kernel.Decorator___bool__(self)
6870 __swig_destroy__ = _IMP_kernel.delete_Decorator
6873 _IMP_kernel.Decorator_swigregister(Decorator)
6875 def check_particle(m, pi):
6876 r"""check_particle(Model m, ParticleIndex pi)"""
6877 return _IMP_kernel.check_particle(m, pi)
6879 r"""Proxy of C++ IMP::UnaryFunction class."""
6881 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6883 def __init__(self, *args):
6884 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
6885 if self.__class__ == UnaryFunction:
6889 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
6891 if self.__class__ != UnaryFunction:
6892 _director_objects.register(self)
6897 def evaluate(self, feature):
6898 r"""evaluate(UnaryFunction self, double feature) -> double"""
6899 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
6901 def evaluate_with_derivative(self, feature):
6902 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
6903 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
6904 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
6907 r"""__str__(UnaryFunction self) -> std::string"""
6908 return _IMP_kernel.UnaryFunction___str__(self)
6911 r"""__repr__(UnaryFunction self) -> std::string"""
6912 return _IMP_kernel.UnaryFunction___repr__(self)
6916 return _object_cast_to_UnaryFunction(o)
6919 def do_show(self, out):
6924 return _object_cast_to_UnaryFunction(o)
6928 """Return a JAX implementation of this UnaryFunction.
6929 Implement this method in a UnaryFunction subclass to provide
6930 an equivalent function using [JAX](https://docs.jax.dev/)
6931 that scores the provided feature value.
6933 raise NotImplementedError(
6934 f
"No JAX implementation for {self} ({type(self)})")
6936 def __disown__(self):
6938 _IMP_kernel.disown_UnaryFunction(self)
6939 return weakref.proxy(self)
6942 r"""do_destroy(UnaryFunction self)"""
6943 return _IMP_kernel.UnaryFunction_do_destroy(self)
6946 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
6948 r"""Proxy of C++ IMP::OptimizerState class."""
6950 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6952 def __init__(self, *args):
6954 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
6955 __init__(OptimizerState self) -> OptimizerState
6957 if self.__class__ == OptimizerState:
6961 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
6963 if self.__class__ != OptimizerState:
6964 _director_objects.register(self)
6970 r"""update(OptimizerState self)"""
6971 return _IMP_kernel.OptimizerState_update(self)
6973 def set_is_optimizing(self, arg0):
6974 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
6975 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
6977 def get_optimizer(self):
6978 r"""get_optimizer(OptimizerState self) -> Optimizer"""
6979 return _IMP_kernel.OptimizerState_get_optimizer(self)
6981 def set_period(self, p):
6982 r"""set_period(OptimizerState self, unsigned int p)"""
6983 return _IMP_kernel.OptimizerState_set_period(self, p)
6985 def get_period(self):
6986 r"""get_period(OptimizerState self) -> unsigned int"""
6987 return _IMP_kernel.OptimizerState_get_period(self)
6990 r"""reset(OptimizerState self)"""
6991 return _IMP_kernel.OptimizerState_reset(self)
6993 def update_always(self):
6994 r"""update_always(OptimizerState self)"""
6995 return _IMP_kernel.OptimizerState_update_always(self)
6997 def get_number_of_updates(self):
6998 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
6999 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
7001 def set_number_of_updates(self, n):
7002 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
7003 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
7004 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
7006 def do_update(self, arg0):
7007 r"""do_update(OptimizerState self, unsigned int arg0)"""
7008 return _IMP_kernel.OptimizerState_do_update(self, arg0)
7010 def do_set_is_optimizing(self, arg0):
7011 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
7012 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
7014 def do_get_inputs(self):
7015 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7016 return _IMP_kernel.OptimizerState_do_get_inputs(self)
7018 def do_get_outputs(self):
7019 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
7020 return _IMP_kernel.OptimizerState_do_get_outputs(self)
7023 r"""__str__(OptimizerState self) -> std::string"""
7024 return _IMP_kernel.OptimizerState___str__(self)
7027 r"""__repr__(OptimizerState self) -> std::string"""
7028 return _IMP_kernel.OptimizerState___repr__(self)
7032 return _object_cast_to_OptimizerState(o)
7035 def do_show(self, out):
7040 return _object_cast_to_OptimizerState(o)
7043 def _get_jax(self, state_index):
7044 """Add JAX support for this OptimizerState.
7046 Each OptimizerState must explicitly support how it is going to
7047 be called when the Optimizer is run via JAX.
7049 OptimizerStates can run as traditional IMP CPU code
7050 on the IMP Model object, in which case None should be returned here.
7051 The Optimizer will sync any necessary information from JAX back
7052 with the IMP Model before calling the OptimizerState. However,
7053 the OptimizerState is not permitted to modify the Model; any
7054 changes will not be propagated back to the Optimizer.
7055 (For example, a thermostat which tries to change particle
7056 velocities will not function correctly.)
7058 Alternatively, a pure JAX implementation can be provided.
7059 See _wrap_jax for more information.
7061 raise NotImplementedError(
7062 f
"No JAX implementation for {self} ({type(self)})")
7064 def _wrap_jax(self, init_func, apply_func):
7065 """Create the return value for _get_jax.
7066 Use this method in _get_jax() to wrap the JAX function
7067 with other OptimizerState-specific information.
7069 @param init_func a JAX function which, given a JAX Optimizer,
7070 does any necessary setup and returns a (possibly modified)
7071 JAX Optimizer. If any OptimizerState-specific
7072 persistent state is needed, it can be stored in
7073 `opt.optimizer_states[state_index]` and later retrieved or
7074 modified in apply_func.
7075 @param apply_func a JAX function which, given a JAX Optimizer,
7076 does the JAX equivalent of do_update() and returns a new
7079 from IMP._jax_util
import JAXOptimizerStateInfo
7080 return JAXOptimizerStateInfo(self, init_func, apply_func)
7082 def __disown__(self):
7084 _IMP_kernel.disown_OptimizerState(self)
7085 return weakref.proxy(self)
7088 r"""do_destroy(OptimizerState self)"""
7089 return _IMP_kernel.OptimizerState_do_destroy(self)
7091 def handle_set_has_required_score_states(self, arg0):
7092 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
7093 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
7095 def do_get_interactions(self):
7096 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
7097 return _IMP_kernel.OptimizerState_do_get_interactions(self)
7100 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
7102 r"""Proxy of C++ IMP::Refiner class."""
7104 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7106 def __init__(self, *args):
7107 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
7108 if self.__class__ == Refiner:
7112 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
7114 if self.__class__ != Refiner:
7115 _director_objects.register(self)
7120 def get_can_refine(self, arg0):
7121 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
7122 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
7124 def get_refined_indexes(self, m, pi):
7125 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
7126 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
7128 def get_refined_indexes_by_ref(self, m, pi):
7129 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7130 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
7132 def get_is_by_ref_supported(self):
7133 r"""get_is_by_ref_supported(Refiner self) -> bool"""
7134 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
7136 def get_refined(self, *args):
7138 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
7139 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
7141 return _IMP_kernel.Refiner_get_refined(self, *args)
7143 def get_number_of_refined(self, a):
7144 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
7145 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
7148 r"""__str__(Refiner self) -> std::string"""
7149 return _IMP_kernel.Refiner___str__(self)
7152 r"""__repr__(Refiner self) -> std::string"""
7153 return _IMP_kernel.Refiner___repr__(self)
7157 return _object_cast_to_Refiner(o)
7160 def do_show(self, out):
7165 return _object_cast_to_Refiner(o)
7167 __swig_destroy__ = _IMP_kernel.delete_Refiner
7168 def __disown__(self):
7170 _IMP_kernel.disown_Refiner(self)
7171 return weakref.proxy(self)
7173 def do_get_inputs(self, m, pis):
7174 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7175 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
7178 r"""do_destroy(Refiner self)"""
7179 return _IMP_kernel.Refiner_do_destroy(self)
7182 _IMP_kernel.Refiner_swigregister(Refiner)
7184 r"""Proxy of C++ IMP::Optimizer class."""
7186 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7188 def set_is_optimizing_states(self, tf):
7189 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
7190 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
7192 def get_optimizer_state_inputs(self):
7193 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7194 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
7196 def do_get_inputs(self):
7197 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7198 return _IMP_kernel.Optimizer_do_get_inputs(self)
7200 def do_get_outputs(self):
7201 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7202 return _IMP_kernel.Optimizer_do_get_outputs(self)
7204 def __init__(self, *args):
7206 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
7207 __init__(Optimizer self) -> Optimizer
7209 if self.__class__ == Optimizer:
7213 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
7215 if self.__class__ != Optimizer:
7216 _director_objects.register(self)
7221 def optimize(self, max_steps):
7222 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
7223 return _IMP_kernel.Optimizer_optimize(self, max_steps)
7225 def set_stop_on_good_score(self, tf):
7226 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
7227 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
7229 def get_stop_on_good_score(self):
7230 r"""get_stop_on_good_score(Optimizer self) -> bool"""
7231 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
7233 def get_last_score(self):
7234 r"""get_last_score(Optimizer self) -> double"""
7235 return _IMP_kernel.Optimizer_get_last_score(self)
7237 def get_scoring_function(self):
7238 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
7239 return _IMP_kernel.Optimizer_get_scoring_function(self)
7240 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)
7241 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
7242 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
7243 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
7245 def remove_optimizer_state(self, d):
7246 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
7247 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
7249 def _python_index_optimizer_state(self, d, start, stop):
7250 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
7251 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
7253 def remove_optimizer_states(self, d):
7254 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
7255 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
7257 def set_optimizer_states(self, ps):
7258 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
7259 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
7261 def set_optimizer_states_order(self, objs):
7262 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
7263 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
7265 def add_optimizer_state(self, obj):
7266 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
7267 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
7269 def add_optimizer_states(self, objs):
7270 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
7271 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
7273 def clear_optimizer_states(self):
7274 r"""clear_optimizer_states(Optimizer self)"""
7275 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
7277 def get_number_of_optimizer_states(self):
7278 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
7279 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
7281 def get_has_optimizer_states(self):
7282 r"""get_has_optimizer_states(Optimizer self) -> bool"""
7283 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
7285 def get_optimizer_state(self, i):
7286 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
7287 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
7289 def get_optimizer_states(self):
7290 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
7291 return _IMP_kernel.Optimizer_get_optimizer_states(self)
7293 def erase_optimizer_state(self, i):
7294 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
7295 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
7297 def reserve_optimizer_states(self, sz):
7298 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
7299 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
7301 def set_scoring_function(self, sf):
7302 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
7303 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
7304 __swig_destroy__ = _IMP_kernel.delete_Optimizer
7306 r"""__del__(Optimizer self)"""
7308 _director_objects.cleanup()
7314 def do_optimize(self, ns):
7315 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
7316 return _IMP_kernel.Optimizer_do_optimize(self, ns)
7318 def update_states(self):
7319 r"""update_states(Optimizer self)"""
7320 return _IMP_kernel.Optimizer_update_states(self)
7323 r"""__str__(Optimizer self) -> std::string"""
7324 return _IMP_kernel.Optimizer___str__(self)
7327 r"""__repr__(Optimizer self) -> std::string"""
7328 return _IMP_kernel.Optimizer___repr__(self)
7332 return _object_cast_to_Optimizer(o)
7335 def do_show(self, out):
7340 return _object_cast_to_Optimizer(o)
7342 def __disown__(self):
7344 _IMP_kernel.disown_Optimizer(self)
7345 return weakref.proxy(self)
7348 r"""do_destroy(Optimizer self)"""
7349 return _IMP_kernel.Optimizer_do_destroy(self)
7351 def handle_set_has_required_score_states(self, arg0):
7352 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
7353 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
7355 def do_get_interactions(self):
7356 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
7357 return _IMP_kernel.Optimizer_do_get_interactions(self)
7360 _IMP_kernel.Optimizer_swigregister(Optimizer)
7362 r"""Proxy of C++ IMP::AttributeOptimizer class."""
7364 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7366 def __init__(self, *args):
7368 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
7369 __init__(AttributeOptimizer self) -> AttributeOptimizer
7371 if self.__class__ == AttributeOptimizer:
7375 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
7377 if self.__class__ != AttributeOptimizer:
7378 _director_objects.register(self)
7383 def get_optimized_attributes(self):
7384 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
7385 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
7387 def set_value(self, fi, v):
7388 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
7389 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
7391 def get_value(self, fi):
7392 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7393 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
7395 def get_derivative(self, fi):
7396 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7397 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
7399 def get_width(self, k):
7400 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
7401 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
7403 def set_scaled_value(self, fi, v):
7404 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
7405 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
7407 def get_scaled_value(self, fi):
7408 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
7409 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
7411 def get_scaled_derivative(self, fi):
7412 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
7413 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
7415 def clear_range_cache(self):
7416 r"""clear_range_cache(AttributeOptimizer self)"""
7417 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
7420 r"""__str__(AttributeOptimizer self) -> std::string"""
7421 return _IMP_kernel.AttributeOptimizer___str__(self)
7424 r"""__repr__(AttributeOptimizer self) -> std::string"""
7425 return _IMP_kernel.AttributeOptimizer___repr__(self)
7429 return _object_cast_to_AttributeOptimizer(o)
7432 def do_show(self, out):
7437 return _object_cast_to_AttributeOptimizer(o)
7439 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
7440 def __disown__(self):
7442 _IMP_kernel.disown_AttributeOptimizer(self)
7443 return weakref.proxy(self)
7446 r"""do_destroy(AttributeOptimizer self)"""
7447 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
7449 def handle_set_has_required_score_states(self, arg0):
7450 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
7451 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
7453 def do_get_inputs(self):
7454 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7455 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
7457 def do_get_outputs(self):
7458 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7459 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
7461 def do_get_interactions(self):
7462 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
7463 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
7465 def do_optimize(self, ns):
7466 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
7467 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
7470 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
7472 r"""Proxy of C++ IMP::ConfigurationSet class."""
7474 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7476 def __init__(self, *args):
7477 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
7478 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
7480 def save_configuration(self):
7481 r"""save_configuration(ConfigurationSet self)"""
7482 return _IMP_kernel.ConfigurationSet_save_configuration(self)
7484 def get_number_of_configurations(self):
7485 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
7486 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
7488 def load_configuration(self, i):
7489 r"""load_configuration(ConfigurationSet self, int i)"""
7490 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
7492 def remove_configuration(self, i):
7493 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
7494 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
7496 def get_model(self):
7497 r"""get_model(ConfigurationSet self) -> Model"""
7498 return _IMP_kernel.ConfigurationSet_get_model(self)
7501 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
7502 return _IMP_kernel.ConfigurationSet_get_version_info(self)
7503 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
7506 r"""__str__(ConfigurationSet self) -> std::string"""
7507 return _IMP_kernel.ConfigurationSet___str__(self)
7510 r"""__repr__(ConfigurationSet self) -> std::string"""
7511 return _IMP_kernel.ConfigurationSet___repr__(self)
7515 return _object_cast_to_ConfigurationSet(o)
7519 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
7521 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
7523 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7525 def __init__(self, cs):
7526 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
7527 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
7530 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
7531 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
7532 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
7535 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7536 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
7539 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7540 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
7544 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
7548 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
7550 r"""Proxy of C++ IMP::Configuration class."""
7552 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7554 def __init__(self, *args):
7556 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
7557 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
7558 __init__(Configuration self) -> Configuration
7560 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
7562 def load_configuration(self):
7563 r"""load_configuration(Configuration self)"""
7564 return _IMP_kernel.Configuration_load_configuration(self)
7566 def swap_configuration(self):
7567 r"""swap_configuration(Configuration self)"""
7568 return _IMP_kernel.Configuration_swap_configuration(self)
7571 r"""get_version_info(Configuration self) -> VersionInfo"""
7572 return _IMP_kernel.Configuration_get_version_info(self)
7573 __swig_destroy__ = _IMP_kernel.delete_Configuration
7576 r"""__str__(Configuration self) -> std::string"""
7577 return _IMP_kernel.Configuration___str__(self)
7580 r"""__repr__(Configuration self) -> std::string"""
7581 return _IMP_kernel.Configuration___repr__(self)
7585 return _object_cast_to_Configuration(o)
7588 def _get_as_binary(self):
7589 r"""_get_as_binary(Configuration self) -> PyObject *"""
7590 return _IMP_kernel.Configuration__get_as_binary(self)
7592 def _set_from_binary(self, p):
7593 r"""_set_from_binary(Configuration self, PyObject * p)"""
7594 return _IMP_kernel.Configuration__set_from_binary(self, p)
7596 def __getstate__(self):
7597 p = self._get_as_binary()
7598 if len(self.__dict__) > 1:
7599 d = self.__dict__.copy()
7604 def __setstate__(self, p):
7605 if not hasattr(self,
'this'):
7607 if isinstance(p, tuple):
7609 self.__dict__.update(d)
7610 return self._set_from_binary(p)
7614 _IMP_kernel.Configuration_swigregister(Configuration)
7616 r"""Proxy of C++ IMP::Sampler class."""
7618 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7620 def __init__(self, *args):
7621 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
7622 if self.__class__ == Sampler:
7626 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
7628 if self.__class__ != Sampler:
7629 _director_objects.register(self)
7634 def create_sample(self):
7635 r"""create_sample(Sampler self) -> ConfigurationSet"""
7636 return _IMP_kernel.Sampler_create_sample(self)
7638 def get_scoring_function(self):
7639 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
7640 return _IMP_kernel.Sampler_get_scoring_function(self)
7642 def set_scoring_function(self, sf):
7643 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
7644 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
7646 def get_model(self):
7647 r"""get_model(Sampler self) -> Model"""
7648 return _IMP_kernel.Sampler_get_model(self)
7650 def do_sample(self):
7651 r"""do_sample(Sampler self) -> ConfigurationSet"""
7652 return _IMP_kernel.Sampler_do_sample(self)
7653 __swig_destroy__ = _IMP_kernel.delete_Sampler
7656 r"""__str__(Sampler self) -> std::string"""
7657 return _IMP_kernel.Sampler___str__(self)
7660 r"""__repr__(Sampler self) -> std::string"""
7661 return _IMP_kernel.Sampler___repr__(self)
7665 return _object_cast_to_Sampler(o)
7668 def do_show(self, out):
7673 return _object_cast_to_Sampler(o)
7675 def __disown__(self):
7677 _IMP_kernel.disown_Sampler(self)
7678 return weakref.proxy(self)
7681 r"""do_destroy(Sampler self)"""
7682 return _IMP_kernel.Sampler_do_destroy(self)
7685 _IMP_kernel.Sampler_swigregister(Sampler)
7687 r"""Proxy of C++ IMP::PairModifier class."""
7689 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7691 def __init__(self, *args):
7692 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
7693 if self.__class__ == PairModifier:
7697 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
7699 if self.__class__ != PairModifier:
7700 _director_objects.register(self)
7705 def apply_index(self, m, v):
7706 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
7707 return _IMP_kernel.PairModifier_apply_index(self, m, v)
7709 def apply_indexes(self, m, o, lower_bound, upper_bound):
7710 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7711 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7713 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7714 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)"""
7715 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7718 r"""__str__(PairModifier self) -> std::string"""
7719 return _IMP_kernel.PairModifier___str__(self)
7722 r"""__repr__(PairModifier self) -> std::string"""
7723 return _IMP_kernel.PairModifier___repr__(self)
7727 return _object_cast_to_PairModifier(o)
7730 def do_show(self, out):
7735 return _object_cast_to_PairModifier(o)
7737 __swig_destroy__ = _IMP_kernel.delete_PairModifier
7738 def __disown__(self):
7740 _IMP_kernel.disown_PairModifier(self)
7741 return weakref.proxy(self)
7743 def do_get_inputs(self, m, pis):
7744 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7745 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
7747 def do_get_outputs(self, m, pis):
7748 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7749 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
7752 r"""do_destroy(PairModifier self)"""
7753 return _IMP_kernel.PairModifier_do_destroy(self)
7756 _IMP_kernel.PairModifier_swigregister(PairModifier)
7758 r"""Proxy of C++ IMP::PairScore class."""
7760 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7762 def __init__(self, *args):
7763 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
7764 if self.__class__ == PairScore:
7768 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
7770 if self.__class__ != PairScore:
7771 _director_objects.register(self)
7776 def evaluate_index(self, m, vt, da):
7777 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
7778 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
7780 def check_indexes(self, m, pis):
7781 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7782 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
7784 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7785 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"""
7786 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7788 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7789 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"""
7790 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7792 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7793 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"""
7794 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7796 def evaluate_if_good_index(self, m, vt, da, max):
7797 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
7798 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
7800 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7801 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"""
7802 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7804 def create_current_decomposition(self, m, vt):
7805 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7806 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
7808 def do_create_current_decomposition(self, m, vt):
7809 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7810 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
7811 __swig_destroy__ = _IMP_kernel.delete_PairScore
7814 r"""__str__(PairScore self) -> std::string"""
7815 return _IMP_kernel.PairScore___str__(self)
7818 r"""__repr__(PairScore self) -> std::string"""
7819 return _IMP_kernel.PairScore___repr__(self)
7823 return _object_cast_to_PairScore(o)
7826 def do_show(self, out):
7831 return _object_cast_to_PairScore(o)
7834 def _wrap_jax(self, m, score_func, keys=None):
7835 """Create the return value for _get_jax.
7836 Use this method in _get_jax() to wrap the JAX scoring function
7837 with other score-specific information.
7839 @param m The IMP.Model that the score will act on.
7840 @param score_func A function implemented using JAX that takes
7841 one argument (the current JAX Model) and returns the total
7843 @param keys Model attributes used by the PairScore.
7844 See IMP::Restraint::_wrap_jax.
7846 from IMP._jax_util
import JAXScoreInfo
7847 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7849 def _get_jax(self, m, indexes, space):
7850 """Return a JAX implementation of this PairScore.
7851 Implement this method in a PairScore subclass to provide
7852 an equivalent function using [JAX](https://docs.jax.dev/)
7853 that scores the current JAX Model with a given set of
7854 ParticlePairIndexes. See also _wrap_jax.
7856 @param m The IMP.Model that the score will act on.
7857 @param indexes The ParticlePairIndexes that the score will act on.
7858 @param space The space in which the score is evaluated
7859 (e.g. a periodic box). See IMP._jax_util.Space.
7861 raise NotImplementedError(
7862 f
"No JAX implementation for {self} ({type(self)})")
7864 def __disown__(self):
7866 _IMP_kernel.disown_PairScore(self)
7867 return weakref.proxy(self)
7869 def do_get_inputs(self, m, pis):
7870 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7871 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
7874 r"""do_destroy(PairScore self)"""
7875 return _IMP_kernel.PairScore_do_destroy(self)
7878 _IMP_kernel.PairScore_swigregister(PairScore)
7880 r"""Proxy of C++ IMP::PairPredicate class."""
7882 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7884 def __init__(self, *args):
7885 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
7886 if self.__class__ == PairPredicate:
7890 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
7892 if self.__class__ != PairPredicate:
7893 _director_objects.register(self)
7898 def setup_for_get_value_index_in_batch(self, arg0):
7899 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
7900 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
7902 def get_value_index_in_batch(self, m, vt):
7903 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7904 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
7906 def __call__(self, m, vt):
7907 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7908 return _IMP_kernel.PairPredicate___call__(self, m, vt)
7910 def get_value_index(self, *args):
7912 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
7913 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7915 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
7916 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
7919 r"""__str__(PairPredicate self) -> std::string"""
7920 return _IMP_kernel.PairPredicate___str__(self)
7923 r"""__repr__(PairPredicate self) -> std::string"""
7924 return _IMP_kernel.PairPredicate___repr__(self)
7928 return _object_cast_to_PairPredicate(o)
7931 def do_show(self, out):
7936 return _object_cast_to_PairPredicate(o)
7938 def __disown__(self):
7940 _IMP_kernel.disown_PairPredicate(self)
7941 return weakref.proxy(self)
7943 def do_get_inputs(self, m, pis):
7944 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7945 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
7948 r"""do_destroy(PairPredicate self)"""
7949 return _IMP_kernel.PairPredicate_do_destroy(self)
7952 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
7954 r"""Proxy of C++ IMP::PairContainer class."""
7956 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7958 def apply_generic(self, m):
7959 r"""apply_generic(PairContainer self, PairModifier m)"""
7960 return _IMP_kernel.PairContainer_apply_generic(self, m)
7962 def apply_generic_moved(self, m, moved_pis, reset_pis):
7963 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7964 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7966 def apply(self, sm):
7967 r"""apply(PairContainer self, PairModifier sm)"""
7968 return _IMP_kernel.PairContainer_apply(self, sm)
7970 def apply_moved(self, sm, moved_pis, reset_pis):
7971 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7972 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
7974 def get_range_indexes(self):
7975 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7976 return _IMP_kernel.PairContainer_get_range_indexes(self)
7978 def get_contents(self):
7979 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
7980 return _IMP_kernel.PairContainer_get_contents(self)
7983 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7984 return _IMP_kernel.PairContainer_get_indexes(self)
7986 def get(self, *args):
7988 get(PairContainer self) -> IMP::ParticlePairsTemp
7989 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
7991 return _IMP_kernel.PairContainer_get(self, *args)
7993 def get_number(self):
7994 r"""get_number(PairContainer self) -> unsigned int"""
7995 return _IMP_kernel.PairContainer_get_number(self)
7997 def __init__(self, *args):
7999 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
8000 __init__(PairContainer self) -> PairContainer
8002 if self.__class__ == PairContainer:
8006 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
8008 if self.__class__ != PairContainer:
8009 _director_objects.register(self)
8014 def do_apply(self, sm):
8015 r"""do_apply(PairContainer self, PairModifier sm)"""
8016 return _IMP_kernel.PairContainer_do_apply(self, sm)
8018 def do_apply_moved(self, sm, moved_pis, reset_pis):
8019 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8020 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8022 def do_get_provides_access(self):
8023 r"""do_get_provides_access(PairContainer self) -> bool"""
8024 return _IMP_kernel.PairContainer_do_get_provides_access(self)
8025 __swig_destroy__ = _IMP_kernel.delete_PairContainer
8028 r"""__str__(PairContainer self) -> std::string"""
8029 return _IMP_kernel.PairContainer___str__(self)
8032 r"""__repr__(PairContainer self) -> std::string"""
8033 return _IMP_kernel.PairContainer___repr__(self)
8037 return _object_cast_to_PairContainer(o)
8040 def do_show(self, out):
8045 return _object_cast_to_PairContainer(o)
8047 def __disown__(self):
8049 _IMP_kernel.disown_PairContainer(self)
8050 return weakref.proxy(self)
8053 r"""do_destroy(PairContainer self)"""
8054 return _IMP_kernel.PairContainer_do_destroy(self)
8056 def handle_set_has_required_score_states(self, arg0):
8057 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
8058 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
8060 def do_get_inputs(self):
8061 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
8062 return _IMP_kernel.PairContainer_do_get_inputs(self)
8064 def do_get_interactions(self):
8065 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
8066 return _IMP_kernel.PairContainer_do_get_interactions(self)
8068 def do_get_contents_hash(self):
8069 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
8070 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
8073 _IMP_kernel.PairContainer_swigregister(PairContainer)
8074 class _PairContainerAdaptor(_InputAdaptor):
8075 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
8077 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8078 __repr__ = _swig_repr
8080 def __init__(self, *args):
8082 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
8083 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
8084 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
8086 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
8088 def set_name_if_default(self, name):
8089 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
8090 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
8091 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
8094 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
8096 r"""Proxy of C++ IMP::QuadModifier class."""
8098 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8100 def __init__(self, *args):
8101 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
8102 if self.__class__ == QuadModifier:
8106 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
8108 if self.__class__ != QuadModifier:
8109 _director_objects.register(self)
8114 def apply_index(self, m, v):
8115 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
8116 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
8118 def apply_indexes(self, m, o, lower_bound, upper_bound):
8119 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8120 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8122 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8123 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)"""
8124 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8127 r"""__str__(QuadModifier self) -> std::string"""
8128 return _IMP_kernel.QuadModifier___str__(self)
8131 r"""__repr__(QuadModifier self) -> std::string"""
8132 return _IMP_kernel.QuadModifier___repr__(self)
8136 return _object_cast_to_QuadModifier(o)
8139 def do_show(self, out):
8144 return _object_cast_to_QuadModifier(o)
8146 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
8147 def __disown__(self):
8149 _IMP_kernel.disown_QuadModifier(self)
8150 return weakref.proxy(self)
8152 def do_get_inputs(self, m, pis):
8153 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8154 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
8156 def do_get_outputs(self, m, pis):
8157 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8158 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
8161 r"""do_destroy(QuadModifier self)"""
8162 return _IMP_kernel.QuadModifier_do_destroy(self)
8165 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
8167 r"""Proxy of C++ IMP::QuadScore class."""
8169 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8171 def __init__(self, *args):
8172 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
8173 if self.__class__ == QuadScore:
8177 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
8179 if self.__class__ != QuadScore:
8180 _director_objects.register(self)
8185 def evaluate_index(self, m, vt, da):
8186 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
8187 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
8189 def check_indexes(self, m, pis):
8190 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8191 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
8193 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8194 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"""
8195 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8197 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8198 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"""
8199 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8201 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8202 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"""
8203 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8205 def evaluate_if_good_index(self, m, vt, da, max):
8206 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
8207 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
8209 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8210 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"""
8211 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8213 def create_current_decomposition(self, m, vt):
8214 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8215 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
8217 def do_create_current_decomposition(self, m, vt):
8218 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8219 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
8220 __swig_destroy__ = _IMP_kernel.delete_QuadScore
8223 r"""__str__(QuadScore self) -> std::string"""
8224 return _IMP_kernel.QuadScore___str__(self)
8227 r"""__repr__(QuadScore self) -> std::string"""
8228 return _IMP_kernel.QuadScore___repr__(self)
8232 return _object_cast_to_QuadScore(o)
8235 def do_show(self, out):
8240 return _object_cast_to_QuadScore(o)
8242 def __disown__(self):
8244 _IMP_kernel.disown_QuadScore(self)
8245 return weakref.proxy(self)
8247 def do_get_inputs(self, m, pis):
8248 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8249 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
8252 r"""do_destroy(QuadScore self)"""
8253 return _IMP_kernel.QuadScore_do_destroy(self)
8256 _IMP_kernel.QuadScore_swigregister(QuadScore)
8258 r"""Proxy of C++ IMP::QuadPredicate class."""
8260 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8262 def __init__(self, *args):
8263 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
8264 if self.__class__ == QuadPredicate:
8268 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
8270 if self.__class__ != QuadPredicate:
8271 _director_objects.register(self)
8276 def setup_for_get_value_index_in_batch(self, arg0):
8277 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
8278 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
8280 def get_value_index_in_batch(self, m, vt):
8281 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8282 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
8284 def __call__(self, m, vt):
8285 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8286 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
8288 def get_value_index(self, *args):
8290 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
8291 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
8293 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
8294 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
8297 r"""__str__(QuadPredicate self) -> std::string"""
8298 return _IMP_kernel.QuadPredicate___str__(self)
8301 r"""__repr__(QuadPredicate self) -> std::string"""
8302 return _IMP_kernel.QuadPredicate___repr__(self)
8306 return _object_cast_to_QuadPredicate(o)
8309 def do_show(self, out):
8314 return _object_cast_to_QuadPredicate(o)
8316 def __disown__(self):
8318 _IMP_kernel.disown_QuadPredicate(self)
8319 return weakref.proxy(self)
8321 def do_get_inputs(self, m, pis):
8322 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8323 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
8326 r"""do_destroy(QuadPredicate self)"""
8327 return _IMP_kernel.QuadPredicate_do_destroy(self)
8330 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
8332 r"""Proxy of C++ IMP::QuadContainer class."""
8334 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8336 def apply_generic(self, m):
8337 r"""apply_generic(QuadContainer self, QuadModifier m)"""
8338 return _IMP_kernel.QuadContainer_apply_generic(self, m)
8340 def apply_generic_moved(self, m, moved_pis, reset_pis):
8341 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8342 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8344 def apply(self, sm):
8345 r"""apply(QuadContainer self, QuadModifier sm)"""
8346 return _IMP_kernel.QuadContainer_apply(self, sm)
8348 def apply_moved(self, sm, moved_pis, reset_pis):
8349 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8350 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
8352 def get_range_indexes(self):
8353 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8354 return _IMP_kernel.QuadContainer_get_range_indexes(self)
8356 def get_contents(self):
8357 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
8358 return _IMP_kernel.QuadContainer_get_contents(self)
8361 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8362 return _IMP_kernel.QuadContainer_get_indexes(self)
8364 def get(self, *args):
8366 get(QuadContainer self) -> IMP::ParticleQuadsTemp
8367 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
8369 return _IMP_kernel.QuadContainer_get(self, *args)
8371 def get_number(self):
8372 r"""get_number(QuadContainer self) -> unsigned int"""
8373 return _IMP_kernel.QuadContainer_get_number(self)
8375 def __init__(self, *args):
8377 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
8378 __init__(QuadContainer self) -> QuadContainer
8380 if self.__class__ == QuadContainer:
8384 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
8386 if self.__class__ != QuadContainer:
8387 _director_objects.register(self)
8392 def do_apply(self, sm):
8393 r"""do_apply(QuadContainer self, QuadModifier sm)"""
8394 return _IMP_kernel.QuadContainer_do_apply(self, sm)
8396 def do_apply_moved(self, sm, moved_pis, reset_pis):
8397 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8398 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8400 def do_get_provides_access(self):
8401 r"""do_get_provides_access(QuadContainer self) -> bool"""
8402 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
8403 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
8406 r"""__str__(QuadContainer self) -> std::string"""
8407 return _IMP_kernel.QuadContainer___str__(self)
8410 r"""__repr__(QuadContainer self) -> std::string"""
8411 return _IMP_kernel.QuadContainer___repr__(self)
8415 return _object_cast_to_QuadContainer(o)
8418 def do_show(self, out):
8423 return _object_cast_to_QuadContainer(o)
8425 def __disown__(self):
8427 _IMP_kernel.disown_QuadContainer(self)
8428 return weakref.proxy(self)
8431 r"""do_destroy(QuadContainer self)"""
8432 return _IMP_kernel.QuadContainer_do_destroy(self)
8434 def handle_set_has_required_score_states(self, arg0):
8435 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
8436 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
8438 def do_get_inputs(self):
8439 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
8440 return _IMP_kernel.QuadContainer_do_get_inputs(self)
8442 def do_get_interactions(self):
8443 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
8444 return _IMP_kernel.QuadContainer_do_get_interactions(self)
8446 def do_get_contents_hash(self):
8447 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
8448 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
8451 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
8452 class _QuadContainerAdaptor(_InputAdaptor):
8453 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
8455 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8456 __repr__ = _swig_repr
8458 def __init__(self, *args):
8460 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
8461 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
8462 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
8464 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
8466 def set_name_if_default(self, name):
8467 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
8468 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
8469 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
8472 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
8474 r"""Proxy of C++ IMP::SingletonModifier class."""
8476 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8478 def __init__(self, *args):
8479 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
8480 if self.__class__ == SingletonModifier:
8484 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
8486 if self.__class__ != SingletonModifier:
8487 _director_objects.register(self)
8492 def apply_index(self, m, v):
8493 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
8494 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
8496 def apply_indexes(self, m, o, lower_bound, upper_bound):
8497 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8498 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8500 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8501 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)"""
8502 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8505 r"""__str__(SingletonModifier self) -> std::string"""
8506 return _IMP_kernel.SingletonModifier___str__(self)
8509 r"""__repr__(SingletonModifier self) -> std::string"""
8510 return _IMP_kernel.SingletonModifier___repr__(self)
8514 return _object_cast_to_SingletonModifier(o)
8517 def do_show(self, out):
8522 return _object_cast_to_SingletonModifier(o)
8525 def _wrap_jax(self, apply_func, keys=None):
8526 """Create the return value for _get_jax.
8527 Use this method in _get_jax() to wrap the JAX function
8528 with other modifier-specific information.
8530 @param apply_func A function implemented using JAX that takes
8531 one argument (the current JAX Model) and returns a new
8533 @param keys Model attributes used by the SingletonModifier.
8534 See IMP::Restraint::_wrap_jax.
8536 from IMP._jax_util
import JAXModifierInfo
8537 return JAXModifierInfo(apply_func=apply_func, keys=keys)
8539 def _get_jax(self, m, indexes):
8540 """Return a JAX implementation of this SingletonModifier.
8541 Implement this method in a SingletonModifier subclass to provide
8542 an equivalent function using [JAX](https://docs.jax.dev/)
8543 that modifies the current JAX Model. See also _wrap_jax.
8545 @param m The IMP.Model that the modifier will act on.
8546 @param indexes The ParticleIndexes that the modifier will act on.
8548 raise NotImplementedError(
8549 f
"No JAX implementation for {self} ({type(self)})")
8551 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
8552 def __disown__(self):
8554 _IMP_kernel.disown_SingletonModifier(self)
8555 return weakref.proxy(self)
8557 def do_get_inputs(self, m, pis):
8558 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8559 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
8561 def do_get_outputs(self, m, pis):
8562 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8563 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
8566 r"""do_destroy(SingletonModifier self)"""
8567 return _IMP_kernel.SingletonModifier_do_destroy(self)
8570 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
8572 r"""Proxy of C++ IMP::SingletonScore class."""
8574 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8576 def __init__(self, *args):
8577 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
8578 if self.__class__ == SingletonScore:
8582 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
8584 if self.__class__ != SingletonScore:
8585 _director_objects.register(self)
8590 def evaluate_index(self, m, vt, da):
8591 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
8592 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
8594 def check_indexes(self, m, pis):
8595 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8596 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
8598 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8599 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"""
8600 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8602 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8603 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"""
8604 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8606 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8607 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"""
8608 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8610 def evaluate_if_good_index(self, m, vt, da, max):
8611 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
8612 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
8614 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8615 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"""
8616 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8618 def create_current_decomposition(self, m, vt):
8619 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8620 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
8622 def do_create_current_decomposition(self, m, vt):
8623 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8624 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
8625 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
8628 r"""__str__(SingletonScore self) -> std::string"""
8629 return _IMP_kernel.SingletonScore___str__(self)
8632 r"""__repr__(SingletonScore self) -> std::string"""
8633 return _IMP_kernel.SingletonScore___repr__(self)
8637 return _object_cast_to_SingletonScore(o)
8640 def do_show(self, out):
8645 return _object_cast_to_SingletonScore(o)
8648 def _wrap_jax(self, m, score_func, keys=None):
8649 """See IMP::PairScore::_wrap_jax"""
8650 from IMP._jax_util
import JAXScoreInfo
8651 return JAXScoreInfo(m, score_func=score_func, keys=keys)
8653 def _get_jax(self, m, indexes, space):
8654 """See IMP::PairScore::_get_jax"""
8655 raise NotImplementedError(
8656 f
"No JAX implementation for {self} ({type(self)})")
8658 def __disown__(self):
8660 _IMP_kernel.disown_SingletonScore(self)
8661 return weakref.proxy(self)
8663 def do_get_inputs(self, m, pis):
8664 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8665 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
8668 r"""do_destroy(SingletonScore self)"""
8669 return _IMP_kernel.SingletonScore_do_destroy(self)
8672 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
8674 r"""Proxy of C++ IMP::SingletonPredicate class."""
8676 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8678 def __init__(self, *args):
8679 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
8680 if self.__class__ == SingletonPredicate:
8684 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
8686 if self.__class__ != SingletonPredicate:
8687 _director_objects.register(self)
8692 def setup_for_get_value_index_in_batch(self, arg0):
8693 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
8694 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
8696 def get_value_index_in_batch(self, m, vt):
8697 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8698 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
8700 def __call__(self, m, vt):
8701 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8702 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
8704 def get_value_index(self, *args):
8706 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
8707 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
8709 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
8710 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
8713 r"""__str__(SingletonPredicate self) -> std::string"""
8714 return _IMP_kernel.SingletonPredicate___str__(self)
8717 r"""__repr__(SingletonPredicate self) -> std::string"""
8718 return _IMP_kernel.SingletonPredicate___repr__(self)
8722 return _object_cast_to_SingletonPredicate(o)
8725 def do_show(self, out):
8730 return _object_cast_to_SingletonPredicate(o)
8732 def __disown__(self):
8734 _IMP_kernel.disown_SingletonPredicate(self)
8735 return weakref.proxy(self)
8737 def do_get_inputs(self, m, pis):
8738 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8739 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
8742 r"""do_destroy(SingletonPredicate self)"""
8743 return _IMP_kernel.SingletonPredicate_do_destroy(self)
8746 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
8748 r"""Proxy of C++ IMP::SingletonContainer class."""
8750 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8752 def apply_generic(self, m):
8753 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
8754 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
8756 def apply_generic_moved(self, m, moved_pis, reset_pis):
8757 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8758 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8760 def apply(self, sm):
8761 r"""apply(SingletonContainer self, SingletonModifier sm)"""
8762 return _IMP_kernel.SingletonContainer_apply(self, sm)
8764 def apply_moved(self, sm, moved_pis, reset_pis):
8765 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8766 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
8768 def get_range_indexes(self):
8769 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8770 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
8772 def get_contents(self):
8773 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
8774 return _IMP_kernel.SingletonContainer_get_contents(self)
8777 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8778 return _IMP_kernel.SingletonContainer_get_indexes(self)
8780 def get(self, *args):
8782 get(SingletonContainer self) -> IMP::ParticlesTemp
8783 get(SingletonContainer self, unsigned int i) -> Particle
8785 return _IMP_kernel.SingletonContainer_get(self, *args)
8787 def get_number(self):
8788 r"""get_number(SingletonContainer self) -> unsigned int"""
8789 return _IMP_kernel.SingletonContainer_get_number(self)
8791 def __init__(self, *args):
8793 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
8794 __init__(SingletonContainer self) -> SingletonContainer
8796 if self.__class__ == SingletonContainer:
8800 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
8802 if self.__class__ != SingletonContainer:
8803 _director_objects.register(self)
8808 def do_apply(self, sm):
8809 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
8810 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
8812 def do_apply_moved(self, sm, moved_pis, reset_pis):
8813 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8814 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8816 def do_get_provides_access(self):
8817 r"""do_get_provides_access(SingletonContainer self) -> bool"""
8818 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
8819 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
8822 r"""__str__(SingletonContainer self) -> std::string"""
8823 return _IMP_kernel.SingletonContainer___str__(self)
8826 r"""__repr__(SingletonContainer self) -> std::string"""
8827 return _IMP_kernel.SingletonContainer___repr__(self)
8831 return _object_cast_to_SingletonContainer(o)
8834 def do_show(self, out):
8839 return _object_cast_to_SingletonContainer(o)
8841 def __disown__(self):
8843 _IMP_kernel.disown_SingletonContainer(self)
8844 return weakref.proxy(self)
8847 r"""do_destroy(SingletonContainer self)"""
8848 return _IMP_kernel.SingletonContainer_do_destroy(self)
8850 def handle_set_has_required_score_states(self, arg0):
8851 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
8852 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
8854 def do_get_inputs(self):
8855 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
8856 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
8858 def do_get_interactions(self):
8859 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
8860 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
8862 def do_get_contents_hash(self):
8863 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
8864 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
8867 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
8868 class _SingletonContainerAdaptor(_InputAdaptor):
8869 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
8871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8872 __repr__ = _swig_repr
8874 def __init__(self, *args):
8876 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
8877 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
8878 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
8880 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
8882 def set_name_if_default(self, name):
8883 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
8884 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
8885 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
8888 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
8890 r"""Proxy of C++ IMP::TripletModifier class."""
8892 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8894 def __init__(self, *args):
8895 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
8896 if self.__class__ == TripletModifier:
8900 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
8902 if self.__class__ != TripletModifier:
8903 _director_objects.register(self)
8908 def apply_index(self, m, v):
8909 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
8910 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
8912 def apply_indexes(self, m, o, lower_bound, upper_bound):
8913 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8914 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8916 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8917 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)"""
8918 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8921 r"""__str__(TripletModifier self) -> std::string"""
8922 return _IMP_kernel.TripletModifier___str__(self)
8925 r"""__repr__(TripletModifier self) -> std::string"""
8926 return _IMP_kernel.TripletModifier___repr__(self)
8930 return _object_cast_to_TripletModifier(o)
8933 def do_show(self, out):
8938 return _object_cast_to_TripletModifier(o)
8940 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
8941 def __disown__(self):
8943 _IMP_kernel.disown_TripletModifier(self)
8944 return weakref.proxy(self)
8946 def do_get_inputs(self, m, pis):
8947 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8948 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
8950 def do_get_outputs(self, m, pis):
8951 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8952 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
8955 r"""do_destroy(TripletModifier self)"""
8956 return _IMP_kernel.TripletModifier_do_destroy(self)
8959 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
8961 r"""Proxy of C++ IMP::TripletScore class."""
8963 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8965 def __init__(self, *args):
8966 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
8967 if self.__class__ == TripletScore:
8971 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
8973 if self.__class__ != TripletScore:
8974 _director_objects.register(self)
8979 def evaluate_index(self, m, vt, da):
8980 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
8981 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
8983 def check_indexes(self, m, pis):
8984 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8985 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
8987 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8988 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"""
8989 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8991 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8992 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"""
8993 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8995 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8996 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"""
8997 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8999 def evaluate_if_good_index(self, m, vt, da, max):
9000 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
9001 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
9003 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9004 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"""
9005 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
9007 def create_current_decomposition(self, m, vt):
9008 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
9009 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
9011 def do_create_current_decomposition(self, m, vt):
9012 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
9013 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
9014 __swig_destroy__ = _IMP_kernel.delete_TripletScore
9017 r"""__str__(TripletScore self) -> std::string"""
9018 return _IMP_kernel.TripletScore___str__(self)
9021 r"""__repr__(TripletScore self) -> std::string"""
9022 return _IMP_kernel.TripletScore___repr__(self)
9026 return _object_cast_to_TripletScore(o)
9029 def do_show(self, out):
9034 return _object_cast_to_TripletScore(o)
9036 def __disown__(self):
9038 _IMP_kernel.disown_TripletScore(self)
9039 return weakref.proxy(self)
9041 def do_get_inputs(self, m, pis):
9042 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9043 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
9046 r"""do_destroy(TripletScore self)"""
9047 return _IMP_kernel.TripletScore_do_destroy(self)
9050 _IMP_kernel.TripletScore_swigregister(TripletScore)
9052 r"""Proxy of C++ IMP::TripletPredicate class."""
9054 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9056 def __init__(self, *args):
9057 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
9058 if self.__class__ == TripletPredicate:
9062 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
9064 if self.__class__ != TripletPredicate:
9065 _director_objects.register(self)
9070 def setup_for_get_value_index_in_batch(self, arg0):
9071 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
9072 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
9074 def get_value_index_in_batch(self, m, vt):
9075 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9076 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
9078 def __call__(self, m, vt):
9079 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9080 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
9082 def get_value_index(self, *args):
9084 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
9085 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
9087 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
9088 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
9091 r"""__str__(TripletPredicate self) -> std::string"""
9092 return _IMP_kernel.TripletPredicate___str__(self)
9095 r"""__repr__(TripletPredicate self) -> std::string"""
9096 return _IMP_kernel.TripletPredicate___repr__(self)
9100 return _object_cast_to_TripletPredicate(o)
9103 def do_show(self, out):
9108 return _object_cast_to_TripletPredicate(o)
9110 def __disown__(self):
9112 _IMP_kernel.disown_TripletPredicate(self)
9113 return weakref.proxy(self)
9115 def do_get_inputs(self, m, pis):
9116 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9117 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
9120 r"""do_destroy(TripletPredicate self)"""
9121 return _IMP_kernel.TripletPredicate_do_destroy(self)
9124 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
9126 r"""Proxy of C++ IMP::TripletContainer class."""
9128 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9130 def apply_generic(self, m):
9131 r"""apply_generic(TripletContainer self, TripletModifier m)"""
9132 return _IMP_kernel.TripletContainer_apply_generic(self, m)
9134 def apply_generic_moved(self, m, moved_pis, reset_pis):
9135 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9136 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
9138 def apply(self, sm):
9139 r"""apply(TripletContainer self, TripletModifier sm)"""
9140 return _IMP_kernel.TripletContainer_apply(self, sm)
9142 def apply_moved(self, sm, moved_pis, reset_pis):
9143 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9144 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
9146 def get_range_indexes(self):
9147 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9148 return _IMP_kernel.TripletContainer_get_range_indexes(self)
9150 def get_contents(self):
9151 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
9152 return _IMP_kernel.TripletContainer_get_contents(self)
9155 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9156 return _IMP_kernel.TripletContainer_get_indexes(self)
9158 def get(self, *args):
9160 get(TripletContainer self) -> IMP::ParticleTripletsTemp
9161 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
9163 return _IMP_kernel.TripletContainer_get(self, *args)
9165 def get_number(self):
9166 r"""get_number(TripletContainer self) -> unsigned int"""
9167 return _IMP_kernel.TripletContainer_get_number(self)
9169 def __init__(self, *args):
9171 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
9172 __init__(TripletContainer self) -> TripletContainer
9174 if self.__class__ == TripletContainer:
9178 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
9180 if self.__class__ != TripletContainer:
9181 _director_objects.register(self)
9186 def do_apply(self, sm):
9187 r"""do_apply(TripletContainer self, TripletModifier sm)"""
9188 return _IMP_kernel.TripletContainer_do_apply(self, sm)
9190 def do_apply_moved(self, sm, moved_pis, reset_pis):
9191 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9192 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
9194 def do_get_provides_access(self):
9195 r"""do_get_provides_access(TripletContainer self) -> bool"""
9196 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
9197 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
9200 r"""__str__(TripletContainer self) -> std::string"""
9201 return _IMP_kernel.TripletContainer___str__(self)
9204 r"""__repr__(TripletContainer self) -> std::string"""
9205 return _IMP_kernel.TripletContainer___repr__(self)
9209 return _object_cast_to_TripletContainer(o)
9212 def do_show(self, out):
9217 return _object_cast_to_TripletContainer(o)
9219 def __disown__(self):
9221 _IMP_kernel.disown_TripletContainer(self)
9222 return weakref.proxy(self)
9225 r"""do_destroy(TripletContainer self)"""
9226 return _IMP_kernel.TripletContainer_do_destroy(self)
9228 def handle_set_has_required_score_states(self, arg0):
9229 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
9230 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
9232 def do_get_inputs(self):
9233 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
9234 return _IMP_kernel.TripletContainer_do_get_inputs(self)
9236 def do_get_interactions(self):
9237 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
9238 return _IMP_kernel.TripletContainer_do_get_interactions(self)
9240 def do_get_contents_hash(self):
9241 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
9242 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
9245 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
9246 class _TripletContainerAdaptor(_InputAdaptor):
9247 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
9249 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9250 __repr__ = _swig_repr
9252 def __init__(self, *args):
9254 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
9255 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
9256 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
9258 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
9260 def set_name_if_default(self, name):
9261 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
9262 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
9263 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
9266 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
9269 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
9270 return _IMP_kernel.write_particles_to_buffer(particles, keys)
9273 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
9274 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
9277 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
9278 return _IMP_kernel.get_particles(m, ps)
9282 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
9283 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
9285 return _IMP_kernel.get_indexes(*args)
9286 class _ParticleIndexAdaptor(object):
9287 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
9289 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9290 __repr__ = _swig_repr
9292 def __init__(self, *args):
9294 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
9295 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
9296 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
9298 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
9299 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
9302 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
9303 class _ParticleIndexesAdaptor(_InputAdaptor):
9304 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
9306 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9307 __repr__ = _swig_repr
9309 def __init__(self, *args):
9311 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
9312 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
9313 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
9315 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
9316 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
9319 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
9320 class _ParticleIndexPairsAdaptor(object):
9321 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
9323 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9324 __repr__ = _swig_repr
9326 def __init__(self, *args):
9328 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
9329 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
9330 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
9332 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
9333 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
9336 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
9338 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
9340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9342 def __init__(self, *args):
9344 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
9345 __init__(_ConstRestraint self) -> _ConstRestraint
9347 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
9349 def get_value(self):
9350 r"""get_value(_ConstRestraint self) -> double"""
9351 return _IMP_kernel._ConstRestraint_get_value(self)
9353 def do_create_decomposition(self):
9354 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
9355 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
9357 def do_get_inputs(self):
9358 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
9359 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
9362 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
9363 return _IMP_kernel._ConstRestraint_get_version_info(self)
9364 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
9367 r"""__str__(_ConstRestraint self) -> std::string"""
9368 return _IMP_kernel._ConstRestraint___str__(self)
9371 r"""__repr__(_ConstRestraint self) -> std::string"""
9372 return _IMP_kernel._ConstRestraint___repr__(self)
9376 return _object_cast_to__ConstRestraint(o)
9379 def _get_as_binary(self):
9380 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
9381 return _IMP_kernel._ConstRestraint__get_as_binary(self)
9383 def _set_from_binary(self, p):
9384 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
9385 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
9387 def __getstate__(self):
9388 p = self._get_as_binary()
9389 if len(self.__dict__) > 1:
9390 d = self.__dict__.copy()
9395 def __setstate__(self, p):
9396 if not hasattr(self,
'this'):
9398 if isinstance(p, tuple):
9400 self.__dict__.update(d)
9401 return self._set_from_binary(p)
9404 def _get_jax(self, space):
9405 value = self.get_value()
9407 return self._wrap_jax(
lambda jm: value)
9411 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
9413 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
9415 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9417 def __init__(self, *args):
9419 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
9420 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
9422 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
9424 def get_value(self):
9425 r"""get_value(_ConstSingletonScore self) -> double"""
9426 return _IMP_kernel._ConstSingletonScore_get_value(self)
9428 def do_get_inputs(self, arg2, arg3):
9429 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9430 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
9432 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9433 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"""
9434 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9436 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9437 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"""
9438 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9440 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9441 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"""
9442 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9444 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9445 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"""
9446 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9449 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
9450 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
9451 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
9454 r"""__str__(_ConstSingletonScore self) -> std::string"""
9455 return _IMP_kernel._ConstSingletonScore___str__(self)
9458 r"""__repr__(_ConstSingletonScore self) -> std::string"""
9459 return _IMP_kernel._ConstSingletonScore___repr__(self)
9463 return _object_cast_to__ConstSingletonScore(o)
9466 def _get_as_binary(self):
9467 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
9468 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
9470 def _set_from_binary(self, p):
9471 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
9472 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
9474 def __getstate__(self):
9475 p = self._get_as_binary()
9476 if len(self.__dict__) > 1:
9477 d = self.__dict__.copy()
9482 def __setstate__(self, p):
9483 if not hasattr(self,
'this'):
9485 if isinstance(p, tuple):
9487 self.__dict__.update(d)
9488 return self._set_from_binary(p)
9491 def _get_jax(self, m, indexes, space):
9492 value = self.get_value()
9494 return self._wrap_jax(m,
lambda jm: value)
9498 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
9500 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
9502 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9504 def __init__(self, *args):
9506 __init__(_ConstPairScore self, double v) -> _ConstPairScore
9507 __init__(_ConstPairScore self) -> _ConstPairScore
9509 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
9511 def get_value(self):
9512 r"""get_value(_ConstPairScore self) -> double"""
9513 return _IMP_kernel._ConstPairScore_get_value(self)
9515 def do_get_inputs(self, arg2, arg3):
9516 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9517 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
9519 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9520 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"""
9521 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9523 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9524 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"""
9525 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9527 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9528 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"""
9529 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9531 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9532 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"""
9533 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9536 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
9537 return _IMP_kernel._ConstPairScore_get_version_info(self)
9538 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
9541 r"""__str__(_ConstPairScore self) -> std::string"""
9542 return _IMP_kernel._ConstPairScore___str__(self)
9545 r"""__repr__(_ConstPairScore self) -> std::string"""
9546 return _IMP_kernel._ConstPairScore___repr__(self)
9550 return _object_cast_to__ConstPairScore(o)
9553 def _get_as_binary(self):
9554 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
9555 return _IMP_kernel._ConstPairScore__get_as_binary(self)
9557 def _set_from_binary(self, p):
9558 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
9559 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
9561 def __getstate__(self):
9562 p = self._get_as_binary()
9563 if len(self.__dict__) > 1:
9564 d = self.__dict__.copy()
9569 def __setstate__(self, p):
9570 if not hasattr(self,
'this'):
9572 if isinstance(p, tuple):
9574 self.__dict__.update(d)
9575 return self._set_from_binary(p)
9578 def _get_jax(self, m, indexes, space):
9579 value = self.get_value()
9581 return self._wrap_jax(m,
lambda jm: value)
9585 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
9587 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
9589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9591 def __init__(self, *args):
9593 __init__(_TrivialDecorator self) -> _TrivialDecorator
9594 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
9595 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
9597 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
9599 def show(self, *args):
9600 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
9601 return _IMP_kernel._TrivialDecorator_show(self, *args)
9604 def setup_particle(*args):
9606 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
9607 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
9609 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
9612 def get_is_setup(*args):
9614 get_is_setup(_ParticleAdaptor p) -> bool
9615 get_is_setup(Model m, ParticleIndex pi) -> bool
9617 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
9621 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
9622 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9623 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9624 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9625 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9626 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
9627 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9628 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
9629 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9630 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9631 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9632 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9634 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
9636 def get_value(self, *args):
9638 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
9639 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
9640 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
9641 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
9642 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
9643 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
9644 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
9645 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
9646 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
9647 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
9648 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9650 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
9652 def set_value(self, *args):
9654 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9655 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9656 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9657 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9658 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
9659 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9660 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
9661 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9662 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9663 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9664 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9666 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
9670 remove_attribute(_TrivialDecorator self, FloatKey a0)
9671 remove_attribute(_TrivialDecorator self, IntKey a0)
9672 remove_attribute(_TrivialDecorator self, FloatsKey a0)
9673 remove_attribute(_TrivialDecorator self, IntsKey a0)
9674 remove_attribute(_TrivialDecorator self, StringKey a0)
9675 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
9676 remove_attribute(_TrivialDecorator self, ObjectKey a0)
9677 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
9678 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
9679 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
9680 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
9682 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
9684 def has_attribute(self, *args):
9686 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
9687 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
9688 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
9689 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
9690 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
9691 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
9692 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
9693 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
9694 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
9695 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
9696 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
9698 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
9700 def get_derivative(self, a0):
9701 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
9702 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
9705 r"""get_name(_TrivialDecorator self) -> std::string"""
9706 return _IMP_kernel._TrivialDecorator_get_name(self)
9709 r"""clear_caches(_TrivialDecorator self)"""
9710 return _IMP_kernel._TrivialDecorator_clear_caches(self)
9712 def set_name(self, a0):
9713 r"""set_name(_TrivialDecorator self, std::string a0)"""
9714 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
9717 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
9718 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
9720 def add_to_derivative(self, a0, a1, a2):
9721 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9722 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
9725 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
9726 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
9728 def get_is_optimized(self, a0):
9729 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
9730 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
9732 def get_check_level(self):
9733 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
9734 return _IMP_kernel._TrivialDecorator_get_check_level(self)
9736 def __eq__(self, *args):
9738 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9739 __eq__(_TrivialDecorator self, Particle d) -> bool
9741 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
9743 def __ne__(self, *args):
9745 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9746 __ne__(_TrivialDecorator self, Particle d) -> bool
9748 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
9750 def __le__(self, *args):
9752 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9753 __le__(_TrivialDecorator self, Particle d) -> bool
9755 return _IMP_kernel._TrivialDecorator___le__(self, *args)
9757 def __lt__(self, *args):
9759 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9760 __lt__(_TrivialDecorator self, Particle d) -> bool
9762 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
9764 def __ge__(self, *args):
9766 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9767 __ge__(_TrivialDecorator self, Particle d) -> bool
9769 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
9771 def __gt__(self, *args):
9773 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9774 __gt__(_TrivialDecorator self, Particle d) -> bool
9776 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
9779 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
9780 return _IMP_kernel._TrivialDecorator___hash__(self)
9783 r"""__str__(_TrivialDecorator self) -> std::string"""
9784 return _IMP_kernel._TrivialDecorator___str__(self)
9787 r"""__repr__(_TrivialDecorator self) -> std::string"""
9788 return _IMP_kernel._TrivialDecorator___repr__(self)
9790 def _get_as_binary(self):
9791 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
9792 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
9794 def _set_from_binary(self, p):
9795 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
9796 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
9798 def __getstate__(self):
9799 p = self._get_as_binary()
9800 if len(self.__dict__) > 1:
9801 d = self.__dict__.copy()
9806 def __setstate__(self, p):
9807 if not hasattr(self,
'this'):
9809 if isinstance(p, tuple):
9811 self.__dict__.update(d)
9812 return self._set_from_binary(p)
9814 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
9817 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
9818 class _TrivialDerivedDecorator(_TrivialDecorator):
9819 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
9821 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9823 def __init__(self, *args):
9825 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
9826 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
9827 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
9829 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
9831 def show(self, *args):
9832 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
9833 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
9836 def setup_particle(*args):
9838 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
9839 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
9841 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
9844 def get_is_setup(*args):
9846 get_is_setup(_ParticleAdaptor p) -> bool
9847 get_is_setup(Model m, ParticleIndex pi) -> bool
9849 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
9853 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
9854 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9855 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9856 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9857 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9858 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9859 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9860 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9861 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9862 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9863 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9864 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9866 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
9868 def get_value(self, *args):
9870 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
9871 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
9872 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
9873 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
9874 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
9875 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
9876 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
9877 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
9878 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
9879 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
9880 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9882 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
9884 def set_value(self, *args):
9886 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9887 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9888 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9889 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9890 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9891 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9892 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9893 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9894 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9895 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9896 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9898 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
9902 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
9903 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
9904 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
9905 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
9906 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
9907 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
9908 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
9909 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
9910 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
9911 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
9912 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
9914 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
9916 def has_attribute(self, *args):
9918 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
9919 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
9920 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
9921 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
9922 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
9923 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
9924 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
9925 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
9926 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
9927 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
9928 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
9930 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
9932 def get_derivative(self, a0):
9933 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
9934 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
9937 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
9938 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
9941 r"""clear_caches(_TrivialDerivedDecorator self)"""
9942 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
9944 def set_name(self, a0):
9945 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
9946 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
9949 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
9950 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
9952 def add_to_derivative(self, a0, a1, a2):
9953 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9954 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
9957 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
9958 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
9960 def get_is_optimized(self, a0):
9961 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
9962 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
9964 def get_check_level(self):
9965 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
9966 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
9968 def __eq__(self, *args):
9970 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9971 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
9973 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
9975 def __ne__(self, *args):
9977 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9978 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
9980 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
9982 def __le__(self, *args):
9984 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9985 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
9987 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
9989 def __lt__(self, *args):
9991 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9992 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
9994 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
9996 def __ge__(self, *args):
9998 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9999 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
10001 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
10003 def __gt__(self, *args):
10005 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
10006 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
10008 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
10010 def __hash__(self):
10011 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
10012 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
10015 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
10016 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
10018 def __repr__(self):
10019 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
10020 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
10022 def _get_as_binary(self):
10023 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
10024 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
10026 def _set_from_binary(self, p):
10027 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
10028 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
10030 def __getstate__(self):
10031 p = self._get_as_binary()
10032 if len(self.__dict__) > 1:
10033 d = self.__dict__.copy()
10038 def __setstate__(self, p):
10039 if not hasattr(self,
'this'):
10041 if isinstance(p, tuple):
10043 self.__dict__.update(d)
10044 return self._set_from_binary(p)
10046 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
10049 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
10050 class _TrivialTraitsDecorator(
Decorator):
10051 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
10053 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10055 def get_decorator_traits(self):
10056 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
10057 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
10060 def get_default_decorator_traits():
10061 r"""get_default_decorator_traits() -> StringKey"""
10062 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
10064 def __init__(self, *args):
10066 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
10067 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10068 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10070 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
10072 def show(self, *args):
10073 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
10074 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
10077 def setup_particle(*args):
10079 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10080 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10082 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
10085 def get_is_setup(*args):
10087 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
10088 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
10090 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
10093 def get_default_key():
10094 r"""get_default_key() -> StringKey"""
10095 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
10099 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
10100 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10101 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10102 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10103 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10104 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10105 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10106 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10107 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10108 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10109 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10110 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10112 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
10114 def get_value(self, *args):
10116 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
10117 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
10118 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
10119 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
10120 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
10121 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
10122 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
10123 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
10124 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
10125 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
10126 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
10128 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
10130 def set_value(self, *args):
10132 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10133 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10134 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10135 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10136 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10137 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10138 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10139 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10140 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10141 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10142 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10144 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
10148 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
10149 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
10150 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
10151 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
10152 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
10153 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
10154 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
10155 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
10156 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
10157 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
10158 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
10160 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
10162 def has_attribute(self, *args):
10164 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
10165 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
10166 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
10167 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
10168 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
10169 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
10170 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
10171 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
10172 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
10173 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
10174 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
10176 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
10178 def get_derivative(self, a0):
10179 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
10180 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
10182 def get_name(self):
10183 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
10184 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
10187 r"""clear_caches(_TrivialTraitsDecorator self)"""
10188 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
10190 def set_name(self, a0):
10191 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
10192 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
10195 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
10196 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
10198 def add_to_derivative(self, a0, a1, a2):
10199 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10200 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
10203 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
10204 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
10206 def get_is_optimized(self, a0):
10207 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
10208 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
10210 def get_check_level(self):
10211 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
10212 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
10214 def __eq__(self, *args):
10216 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10217 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
10219 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
10221 def __ne__(self, *args):
10223 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10224 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
10226 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
10228 def __le__(self, *args):
10230 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10231 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
10233 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
10235 def __lt__(self, *args):
10237 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10238 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
10240 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
10242 def __ge__(self, *args):
10244 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10245 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
10247 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
10249 def __gt__(self, *args):
10251 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10252 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
10254 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
10256 def __hash__(self):
10257 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
10258 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
10261 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
10262 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
10264 def __repr__(self):
10265 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
10266 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
10267 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
10270 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
10272 def __lshift__(*args):
10274 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
10275 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
10276 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
10278 return _IMP_kernel.__lshift__(*args)
10280 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
10282 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10284 def __init__(self, *args):
10286 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
10287 __init__(_ConstOptimizer self) -> _ConstOptimizer
10289 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
10291 def do_optimize(self, max_steps):
10292 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
10293 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
10296 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
10297 return _IMP_kernel._ConstOptimizer_get_version_info(self)
10298 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
10301 r"""__str__(_ConstOptimizer self) -> std::string"""
10302 return _IMP_kernel._ConstOptimizer___str__(self)
10304 def __repr__(self):
10305 r"""__repr__(_ConstOptimizer self) -> std::string"""
10306 return _IMP_kernel._ConstOptimizer___repr__(self)
10310 return _object_cast_to__ConstOptimizer(o)
10313 def _get_as_binary(self):
10314 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
10315 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
10317 def _set_from_binary(self, p):
10318 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
10319 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
10321 def __getstate__(self):
10322 p = self._get_as_binary()
10323 if len(self.__dict__) > 1:
10324 d = self.__dict__.copy()
10329 def __setstate__(self, p):
10330 if not hasattr(self,
'this'):
10332 if isinstance(p, tuple):
10334 self.__dict__.update(d)
10335 return self._set_from_binary(p)
10339 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
10342 r"""get_particle(Particle p) -> Particle"""
10343 return _IMP_kernel.get_particle(p)
10345 def _decorator_test(p):
10346 r"""_decorator_test(Particle p)"""
10347 return _IMP_kernel._decorator_test(p)
10349 def _overloaded_decorator(*args):
10351 _overloaded_decorator(_TrivialDecorator a) -> int
10352 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
10354 return _IMP_kernel._overloaded_decorator(*args)
10356 def _take_particles(*args):
10358 _take_particles(IMP::Particles const & ps) -> unsigned int
10359 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
10360 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
10362 return _IMP_kernel._take_particles(*args)
10364 def _give_particles(m):
10365 r"""_give_particles(Model m) -> IMP::Particles const &"""
10366 return _IMP_kernel._give_particles(m)
10368 def _pass_particles(ps):
10369 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
10370 return _IMP_kernel._pass_particles(ps)
10372 def _pass_particle(ps):
10373 r"""_pass_particle(Particle ps) -> Particle"""
10374 return _IMP_kernel._pass_particle(ps)
10376 def _pass_particle_pair(pp):
10377 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
10378 return _IMP_kernel._pass_particle_pair(pp)
10380 def _give_particles_copy(m):
10381 r"""_give_particles_copy(Model m) -> IMP::Particles"""
10382 return _IMP_kernel._give_particles_copy(m)
10384 def _pass_float_keys(input):
10385 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
10386 return _IMP_kernel._pass_float_keys(input)
10390 _pass(IMP::Particles const & p) -> IMP::Particles const
10391 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
10393 return _IMP_kernel._pass(*args)
10395 def _pass_decorators(p):
10396 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
10397 return _IMP_kernel._pass_decorators(p)
10399 def _pass_decorator_traits(p):
10400 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
10401 return _IMP_kernel._pass_decorator_traits(p)
10403 def _pass_particle_pairs(p):
10404 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
10405 return _IMP_kernel._pass_particle_pairs(p)
10407 def _pass_particle_index_pairs(p):
10408 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
10409 return _IMP_kernel._pass_particle_index_pairs(p)
10411 def _pass_model_objects(p):
10412 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
10413 return _IMP_kernel._pass_model_objects(p)
10415 def _pass_particles_temps(ps):
10416 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
10417 return _IMP_kernel._pass_particles_temps(ps)
10419 def _test_overload(*args):
10421 _test_overload(IMP::Particles const & ps) -> int
10422 _test_overload(IMP::Restraints const & ps) -> int
10424 return _IMP_kernel._test_overload(*args)
10426 def _get_range(m, k):
10427 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
10428 return _IMP_kernel._get_range(m, k)
10430 def _create_particles_from_pdb(name, m):
10431 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
10432 return _IMP_kernel._create_particles_from_pdb(name, m)
10434 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
10436 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10437 __repr__ = _swig_repr
10439 def __init__(self):
10440 r"""__init__(_LogPairScore self) -> _LogPairScore"""
10441 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
10443 def do_get_inputs(self, arg2, arg3):
10444 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
10445 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
10447 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10448 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"""
10449 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10451 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10452 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"""
10453 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10455 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10456 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"""
10457 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10459 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10460 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"""
10461 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10464 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
10465 return _IMP_kernel._LogPairScore_get_version_info(self)
10466 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
10468 def get_particle_pairs(self):
10469 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
10470 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
10473 r"""clear(_LogPairScore self)"""
10474 return _IMP_kernel._LogPairScore_clear(self)
10476 def get_contains(self, pp):
10477 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
10478 return _IMP_kernel._LogPairScore_get_contains(self, pp)
10481 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
10483 def _overloaded_particles(*args):
10485 _overloaded_particles(Particle arg1)
10486 _overloaded_particles(IMP::Particles const & arg1)
10487 _overloaded_particles(IMP::ParticlesTemp const & arg1)
10488 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
10489 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
10490 _overloaded_particles(_TrivialDecorator arg1)
10492 return _IMP_kernel._overloaded_particles(*args)
10493 class _ImplicitParticles(object):
10494 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
10496 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10497 __repr__ = _swig_repr
10499 def __init__(self, *args):
10501 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
10502 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
10503 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
10504 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
10505 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
10506 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
10508 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
10509 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
10512 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
10514 def _implicit_particles(arg1):
10515 r"""_implicit_particles(_ImplicitParticles arg1)"""
10516 return _IMP_kernel._implicit_particles(arg1)
10518 def _take_particle_adaptor(pa):
10519 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
10520 return _IMP_kernel._take_particle_adaptor(pa)
10522 def _take_particle_indexes_adaptor(pa):
10523 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
10524 return _IMP_kernel._take_particle_indexes_adaptor(pa)
10525 class Vector1D(_VectorBase1D):
10526 r"""Proxy of C++ IMP::VectorD< 1 > class."""
10528 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10530 def get_unit_vector(self):
10531 r"""get_unit_vector(Vector1D self) -> Vector1D"""
10532 return _IMP_kernel.Vector1D_get_unit_vector(self)
10534 def __truediv__(self, *args):
10535 return _IMP_kernel.Vector1D___truediv__(self, *args)
10540 r"""__neg__(Vector1D self) -> Vector1D"""
10541 return _IMP_kernel.Vector1D___neg__(self)
10543 def __sub__(self, o):
10544 r"""__sub__(Vector1D self, Vector1D o) -> Vector1D"""
10545 return _IMP_kernel.Vector1D___sub__(self, o)
10547 def __add__(self, ret):
10548 r"""__add__(Vector1D self, Vector1D ret) -> Vector1D"""
10549 return _IMP_kernel.Vector1D___add__(self, ret)
10551 def __mul__(self, *args):
10553 __mul__(Vector1D self, double s) -> Vector1D
10554 __mul__(Vector1D self, Vector1D o) -> double
10556 return _IMP_kernel.Vector1D___mul__(self, *args)
10558 def __init__(self, *args):
10560 __init__(Vector1D self, IMP::Floats const & f) -> Vector1D
10561 __init__(Vector1D self) -> Vector1D
10562 __init__(Vector1D self, double x) -> Vector1D
10564 _IMP_kernel.Vector1D_swiginit(self, _IMP_kernel.new_Vector1D(*args))
10566 def __iadd__(self, *args):
10567 _IMP_kernel.Vector1D___iadd__(self, *args)
10572 def __imul__(self, *args):
10573 _IMP_kernel.Vector1D___imul__(self, *args)
10578 def __itruediv__(self, *args):
10579 _IMP_kernel.Vector1D___itruediv__(self, *args)
10584 def __isub__(self, *args):
10585 _IMP_kernel.Vector1D___isub__(self, *args)
10591 r"""__len__(Vector1D self) -> unsigned int"""
10592 return _IMP_kernel.Vector1D___len__(self)
10594 def __rmul__(self, f):
10595 r"""__rmul__(Vector1D self, double f) -> Vector1D"""
10596 return _IMP_kernel.Vector1D___rmul__(self, f)
10599 r"""__str__(Vector1D self) -> std::string"""
10600 return _IMP_kernel.Vector1D___str__(self)
10602 def __repr__(self):
10603 r"""__repr__(Vector1D self) -> std::string"""
10604 return _IMP_kernel.Vector1D___repr__(self)
10606 def __cmp__(self, arg2):
10607 r"""__cmp__(Vector1D self, Vector1D arg2) -> int"""
10608 return _IMP_kernel.Vector1D___cmp__(self, arg2)
10610 def __eq__(self, arg2):
10611 r"""__eq__(Vector1D self, Vector1D arg2) -> bool"""
10612 return _IMP_kernel.Vector1D___eq__(self, arg2)
10614 def _get_as_binary(self):
10615 r"""_get_as_binary(Vector1D self) -> PyObject *"""
10616 return _IMP_kernel.Vector1D__get_as_binary(self)
10618 def _set_from_binary(self, p):
10619 r"""_set_from_binary(Vector1D self, PyObject * p)"""
10620 return _IMP_kernel.Vector1D__set_from_binary(self, p)
10622 def __getstate__(self):
10623 p = self._get_as_binary()
10624 if len(self.__dict__) > 1:
10625 d = self.__dict__.copy()
10630 def __setstate__(self, p):
10631 if not hasattr(self,
'this'):
10633 if isinstance(p, tuple):
10635 self.__dict__.update(d)
10636 return self._set_from_binary(p)
10639 def __getitem__(self, index):
10640 if isinstance(index, slice):
10641 return [self[i]
for i
in range(*index.indices(len(self)))]
10643 return _IMP_kernel.Vector1D___getitem__(self, index)
10647 def __setitem__(self, index, val):
10648 if isinstance(index, slice):
10649 if not hasattr(val,
'__iter__'):
10650 raise TypeError(
"must assign iterable to extended slice")
10651 inds = range(*index.indices(len(self)))
10652 if len(inds) != len(val):
10654 "attempt to assign sequence of size %d "
10655 "to extended slice of size %d" % (len(val), len(inds)))
10656 for ind, v
in zip(inds, val):
10659 return _IMP_kernel.Vector1D___setitem__(self, index, val)
10662 __swig_destroy__ = _IMP_kernel.delete_Vector1D
10665 _IMP_kernel.Vector1D_swigregister(Vector1D)
10666 class Vector2D(_VectorBase2D):
10667 r"""Proxy of C++ IMP::VectorD< 2 > class."""
10669 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10671 def get_unit_vector(self):
10672 r"""get_unit_vector(Vector2D self) -> Vector2D"""
10673 return _IMP_kernel.Vector2D_get_unit_vector(self)
10675 def __truediv__(self, *args):
10676 return _IMP_kernel.Vector2D___truediv__(self, *args)
10681 r"""__neg__(Vector2D self) -> Vector2D"""
10682 return _IMP_kernel.Vector2D___neg__(self)
10684 def __sub__(self, o):
10685 r"""__sub__(Vector2D self, Vector2D o) -> Vector2D"""
10686 return _IMP_kernel.Vector2D___sub__(self, o)
10688 def __add__(self, ret):
10689 r"""__add__(Vector2D self, Vector2D ret) -> Vector2D"""
10690 return _IMP_kernel.Vector2D___add__(self, ret)
10692 def __mul__(self, *args):
10694 __mul__(Vector2D self, double s) -> Vector2D
10695 __mul__(Vector2D self, Vector2D o) -> double
10697 return _IMP_kernel.Vector2D___mul__(self, *args)
10699 def __init__(self, *args):
10701 __init__(Vector2D self, IMP::Floats const & f) -> Vector2D
10702 __init__(Vector2D self) -> Vector2D
10703 __init__(Vector2D self, double x, double y) -> Vector2D
10705 _IMP_kernel.Vector2D_swiginit(self, _IMP_kernel.new_Vector2D(*args))
10707 def __iadd__(self, *args):
10708 _IMP_kernel.Vector2D___iadd__(self, *args)
10713 def __imul__(self, *args):
10714 _IMP_kernel.Vector2D___imul__(self, *args)
10719 def __itruediv__(self, *args):
10720 _IMP_kernel.Vector2D___itruediv__(self, *args)
10725 def __isub__(self, *args):
10726 _IMP_kernel.Vector2D___isub__(self, *args)
10732 r"""__len__(Vector2D self) -> unsigned int"""
10733 return _IMP_kernel.Vector2D___len__(self)
10735 def __rmul__(self, f):
10736 r"""__rmul__(Vector2D self, double f) -> Vector2D"""
10737 return _IMP_kernel.Vector2D___rmul__(self, f)
10740 r"""__str__(Vector2D self) -> std::string"""
10741 return _IMP_kernel.Vector2D___str__(self)
10743 def __repr__(self):
10744 r"""__repr__(Vector2D self) -> std::string"""
10745 return _IMP_kernel.Vector2D___repr__(self)
10747 def __cmp__(self, arg2):
10748 r"""__cmp__(Vector2D self, Vector2D arg2) -> int"""
10749 return _IMP_kernel.Vector2D___cmp__(self, arg2)
10751 def __eq__(self, arg2):
10752 r"""__eq__(Vector2D self, Vector2D arg2) -> bool"""
10753 return _IMP_kernel.Vector2D___eq__(self, arg2)
10755 def _get_as_binary(self):
10756 r"""_get_as_binary(Vector2D self) -> PyObject *"""
10757 return _IMP_kernel.Vector2D__get_as_binary(self)
10759 def _set_from_binary(self, p):
10760 r"""_set_from_binary(Vector2D self, PyObject * p)"""
10761 return _IMP_kernel.Vector2D__set_from_binary(self, p)
10763 def __getstate__(self):
10764 p = self._get_as_binary()
10765 if len(self.__dict__) > 1:
10766 d = self.__dict__.copy()
10771 def __setstate__(self, p):
10772 if not hasattr(self,
'this'):
10774 if isinstance(p, tuple):
10776 self.__dict__.update(d)
10777 return self._set_from_binary(p)
10780 def __getitem__(self, index):
10781 if isinstance(index, slice):
10782 return [self[i]
for i
in range(*index.indices(len(self)))]
10784 return _IMP_kernel.Vector2D___getitem__(self, index)
10788 def __setitem__(self, index, val):
10789 if isinstance(index, slice):
10790 if not hasattr(val,
'__iter__'):
10791 raise TypeError(
"must assign iterable to extended slice")
10792 inds = range(*index.indices(len(self)))
10793 if len(inds) != len(val):
10795 "attempt to assign sequence of size %d "
10796 "to extended slice of size %d" % (len(val), len(inds)))
10797 for ind, v
in zip(inds, val):
10800 return _IMP_kernel.Vector2D___setitem__(self, index, val)
10803 __swig_destroy__ = _IMP_kernel.delete_Vector2D
10806 _IMP_kernel.Vector2D_swigregister(Vector2D)
10807 class Vector3D(_VectorBase3D):
10808 r"""Proxy of C++ IMP::VectorD< 3 > class."""
10810 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10812 def get_unit_vector(self):
10813 r"""get_unit_vector(Vector3D self) -> Vector3D"""
10814 return _IMP_kernel.Vector3D_get_unit_vector(self)
10816 def __truediv__(self, *args):
10817 return _IMP_kernel.Vector3D___truediv__(self, *args)
10822 r"""__neg__(Vector3D self) -> Vector3D"""
10823 return _IMP_kernel.Vector3D___neg__(self)
10825 def __sub__(self, o):
10826 r"""__sub__(Vector3D self, Vector3D o) -> Vector3D"""
10827 return _IMP_kernel.Vector3D___sub__(self, o)
10829 def __add__(self, ret):
10830 r"""__add__(Vector3D self, Vector3D ret) -> Vector3D"""
10831 return _IMP_kernel.Vector3D___add__(self, ret)
10833 def __mul__(self, *args):
10835 __mul__(Vector3D self, double s) -> Vector3D
10836 __mul__(Vector3D self, Vector3D o) -> double
10838 return _IMP_kernel.Vector3D___mul__(self, *args)
10840 def __init__(self, *args):
10842 __init__(Vector3D self, IMP::Floats const & f) -> Vector3D
10843 __init__(Vector3D self) -> Vector3D
10844 __init__(Vector3D self, double x, double y, double z) -> Vector3D
10846 _IMP_kernel.Vector3D_swiginit(self, _IMP_kernel.new_Vector3D(*args))
10848 def __iadd__(self, *args):
10849 _IMP_kernel.Vector3D___iadd__(self, *args)
10854 def __imul__(self, *args):
10855 _IMP_kernel.Vector3D___imul__(self, *args)
10860 def __itruediv__(self, *args):
10861 _IMP_kernel.Vector3D___itruediv__(self, *args)
10866 def __isub__(self, *args):
10867 _IMP_kernel.Vector3D___isub__(self, *args)
10873 r"""__len__(Vector3D self) -> unsigned int"""
10874 return _IMP_kernel.Vector3D___len__(self)
10876 def __rmul__(self, f):
10877 r"""__rmul__(Vector3D self, double f) -> Vector3D"""
10878 return _IMP_kernel.Vector3D___rmul__(self, f)
10881 r"""__str__(Vector3D self) -> std::string"""
10882 return _IMP_kernel.Vector3D___str__(self)
10884 def __repr__(self):
10885 r"""__repr__(Vector3D self) -> std::string"""
10886 return _IMP_kernel.Vector3D___repr__(self)
10888 def __cmp__(self, arg2):
10889 r"""__cmp__(Vector3D self, Vector3D arg2) -> int"""
10890 return _IMP_kernel.Vector3D___cmp__(self, arg2)
10892 def __eq__(self, arg2):
10893 r"""__eq__(Vector3D self, Vector3D arg2) -> bool"""
10894 return _IMP_kernel.Vector3D___eq__(self, arg2)
10896 def _get_as_binary(self):
10897 r"""_get_as_binary(Vector3D self) -> PyObject *"""
10898 return _IMP_kernel.Vector3D__get_as_binary(self)
10900 def _set_from_binary(self, p):
10901 r"""_set_from_binary(Vector3D self, PyObject * p)"""
10902 return _IMP_kernel.Vector3D__set_from_binary(self, p)
10904 def __getstate__(self):
10905 p = self._get_as_binary()
10906 if len(self.__dict__) > 1:
10907 d = self.__dict__.copy()
10912 def __setstate__(self, p):
10913 if not hasattr(self,
'this'):
10915 if isinstance(p, tuple):
10917 self.__dict__.update(d)
10918 return self._set_from_binary(p)
10921 def __getitem__(self, index):
10922 if isinstance(index, slice):
10923 return [self[i]
for i
in range(*index.indices(len(self)))]
10925 return _IMP_kernel.Vector3D___getitem__(self, index)
10929 def __setitem__(self, index, val):
10930 if isinstance(index, slice):
10931 if not hasattr(val,
'__iter__'):
10932 raise TypeError(
"must assign iterable to extended slice")
10933 inds = range(*index.indices(len(self)))
10934 if len(inds) != len(val):
10936 "attempt to assign sequence of size %d "
10937 "to extended slice of size %d" % (len(val), len(inds)))
10938 for ind, v
in zip(inds, val):
10941 return _IMP_kernel.Vector3D___setitem__(self, index, val)
10944 __swig_destroy__ = _IMP_kernel.delete_Vector3D
10947 _IMP_kernel.Vector3D_swigregister(Vector3D)
10948 class Vector4D(_VectorBase4D):
10949 r"""Proxy of C++ IMP::VectorD< 4 > class."""
10951 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10953 def get_unit_vector(self):
10954 r"""get_unit_vector(Vector4D self) -> Vector4D"""
10955 return _IMP_kernel.Vector4D_get_unit_vector(self)
10957 def __truediv__(self, *args):
10958 return _IMP_kernel.Vector4D___truediv__(self, *args)
10963 r"""__neg__(Vector4D self) -> Vector4D"""
10964 return _IMP_kernel.Vector4D___neg__(self)
10966 def __sub__(self, o):
10967 r"""__sub__(Vector4D self, Vector4D o) -> Vector4D"""
10968 return _IMP_kernel.Vector4D___sub__(self, o)
10970 def __add__(self, ret):
10971 r"""__add__(Vector4D self, Vector4D ret) -> Vector4D"""
10972 return _IMP_kernel.Vector4D___add__(self, ret)
10974 def __mul__(self, *args):
10976 __mul__(Vector4D self, double s) -> Vector4D
10977 __mul__(Vector4D self, Vector4D o) -> double
10979 return _IMP_kernel.Vector4D___mul__(self, *args)
10981 def __init__(self, *args):
10983 __init__(Vector4D self, IMP::Floats const & f) -> Vector4D
10984 __init__(Vector4D self) -> Vector4D
10985 __init__(Vector4D self, double x0, double x1, double x2, double x3) -> Vector4D
10987 _IMP_kernel.Vector4D_swiginit(self, _IMP_kernel.new_Vector4D(*args))
10989 def __iadd__(self, *args):
10990 _IMP_kernel.Vector4D___iadd__(self, *args)
10995 def __imul__(self, *args):
10996 _IMP_kernel.Vector4D___imul__(self, *args)
11001 def __itruediv__(self, *args):
11002 _IMP_kernel.Vector4D___itruediv__(self, *args)
11007 def __isub__(self, *args):
11008 _IMP_kernel.Vector4D___isub__(self, *args)
11014 r"""__len__(Vector4D self) -> unsigned int"""
11015 return _IMP_kernel.Vector4D___len__(self)
11017 def __rmul__(self, f):
11018 r"""__rmul__(Vector4D self, double f) -> Vector4D"""
11019 return _IMP_kernel.Vector4D___rmul__(self, f)
11022 r"""__str__(Vector4D self) -> std::string"""
11023 return _IMP_kernel.Vector4D___str__(self)
11025 def __repr__(self):
11026 r"""__repr__(Vector4D self) -> std::string"""
11027 return _IMP_kernel.Vector4D___repr__(self)
11029 def __cmp__(self, arg2):
11030 r"""__cmp__(Vector4D self, Vector4D arg2) -> int"""
11031 return _IMP_kernel.Vector4D___cmp__(self, arg2)
11033 def __eq__(self, arg2):
11034 r"""__eq__(Vector4D self, Vector4D arg2) -> bool"""
11035 return _IMP_kernel.Vector4D___eq__(self, arg2)
11037 def _get_as_binary(self):
11038 r"""_get_as_binary(Vector4D self) -> PyObject *"""
11039 return _IMP_kernel.Vector4D__get_as_binary(self)
11041 def _set_from_binary(self, p):
11042 r"""_set_from_binary(Vector4D self, PyObject * p)"""
11043 return _IMP_kernel.Vector4D__set_from_binary(self, p)
11045 def __getstate__(self):
11046 p = self._get_as_binary()
11047 if len(self.__dict__) > 1:
11048 d = self.__dict__.copy()
11053 def __setstate__(self, p):
11054 if not hasattr(self,
'this'):
11056 if isinstance(p, tuple):
11058 self.__dict__.update(d)
11059 return self._set_from_binary(p)
11062 def __getitem__(self, index):
11063 if isinstance(index, slice):
11064 return [self[i]
for i
in range(*index.indices(len(self)))]
11066 return _IMP_kernel.Vector4D___getitem__(self, index)
11070 def __setitem__(self, index, val):
11071 if isinstance(index, slice):
11072 if not hasattr(val,
'__iter__'):
11073 raise TypeError(
"must assign iterable to extended slice")
11074 inds = range(*index.indices(len(self)))
11075 if len(inds) != len(val):
11077 "attempt to assign sequence of size %d "
11078 "to extended slice of size %d" % (len(val), len(inds)))
11079 for ind, v
in zip(inds, val):
11082 return _IMP_kernel.Vector4D___setitem__(self, index, val)
11085 __swig_destroy__ = _IMP_kernel.delete_Vector4D
11088 _IMP_kernel.Vector4D_swigregister(Vector4D)
11089 class Vector5D(_VectorBase5D):
11090 r"""Proxy of C++ IMP::VectorD< 5 > class."""
11092 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11094 def get_unit_vector(self):
11095 r"""get_unit_vector(Vector5D self) -> Vector5D"""
11096 return _IMP_kernel.Vector5D_get_unit_vector(self)
11098 def __truediv__(self, *args):
11099 return _IMP_kernel.Vector5D___truediv__(self, *args)
11104 r"""__neg__(Vector5D self) -> Vector5D"""
11105 return _IMP_kernel.Vector5D___neg__(self)
11107 def __sub__(self, o):
11108 r"""__sub__(Vector5D self, Vector5D o) -> Vector5D"""
11109 return _IMP_kernel.Vector5D___sub__(self, o)
11111 def __add__(self, ret):
11112 r"""__add__(Vector5D self, Vector5D ret) -> Vector5D"""
11113 return _IMP_kernel.Vector5D___add__(self, ret)
11115 def __mul__(self, *args):
11117 __mul__(Vector5D self, double s) -> Vector5D
11118 __mul__(Vector5D self, Vector5D o) -> double
11120 return _IMP_kernel.Vector5D___mul__(self, *args)
11122 def __init__(self, *args):
11124 __init__(Vector5D self, IMP::Floats const & f) -> Vector5D
11125 __init__(Vector5D self) -> Vector5D
11126 __init__(Vector5D self, double x0, double x1, double x2, double x3, double x4) -> Vector5D
11128 _IMP_kernel.Vector5D_swiginit(self, _IMP_kernel.new_Vector5D(*args))
11130 def __iadd__(self, *args):
11131 _IMP_kernel.Vector5D___iadd__(self, *args)
11136 def __imul__(self, *args):
11137 _IMP_kernel.Vector5D___imul__(self, *args)
11142 def __itruediv__(self, *args):
11143 _IMP_kernel.Vector5D___itruediv__(self, *args)
11148 def __isub__(self, *args):
11149 _IMP_kernel.Vector5D___isub__(self, *args)
11155 r"""__len__(Vector5D self) -> unsigned int"""
11156 return _IMP_kernel.Vector5D___len__(self)
11158 def __rmul__(self, f):
11159 r"""__rmul__(Vector5D self, double f) -> Vector5D"""
11160 return _IMP_kernel.Vector5D___rmul__(self, f)
11163 r"""__str__(Vector5D self) -> std::string"""
11164 return _IMP_kernel.Vector5D___str__(self)
11166 def __repr__(self):
11167 r"""__repr__(Vector5D self) -> std::string"""
11168 return _IMP_kernel.Vector5D___repr__(self)
11170 def __cmp__(self, arg2):
11171 r"""__cmp__(Vector5D self, Vector5D arg2) -> int"""
11172 return _IMP_kernel.Vector5D___cmp__(self, arg2)
11174 def __eq__(self, arg2):
11175 r"""__eq__(Vector5D self, Vector5D arg2) -> bool"""
11176 return _IMP_kernel.Vector5D___eq__(self, arg2)
11178 def _get_as_binary(self):
11179 r"""_get_as_binary(Vector5D self) -> PyObject *"""
11180 return _IMP_kernel.Vector5D__get_as_binary(self)
11182 def _set_from_binary(self, p):
11183 r"""_set_from_binary(Vector5D self, PyObject * p)"""
11184 return _IMP_kernel.Vector5D__set_from_binary(self, p)
11186 def __getstate__(self):
11187 p = self._get_as_binary()
11188 if len(self.__dict__) > 1:
11189 d = self.__dict__.copy()
11194 def __setstate__(self, p):
11195 if not hasattr(self,
'this'):
11197 if isinstance(p, tuple):
11199 self.__dict__.update(d)
11200 return self._set_from_binary(p)
11203 def __getitem__(self, index):
11204 if isinstance(index, slice):
11205 return [self[i]
for i
in range(*index.indices(len(self)))]
11207 return _IMP_kernel.Vector5D___getitem__(self, index)
11211 def __setitem__(self, index, val):
11212 if isinstance(index, slice):
11213 if not hasattr(val,
'__iter__'):
11214 raise TypeError(
"must assign iterable to extended slice")
11215 inds = range(*index.indices(len(self)))
11216 if len(inds) != len(val):
11218 "attempt to assign sequence of size %d "
11219 "to extended slice of size %d" % (len(val), len(inds)))
11220 for ind, v
in zip(inds, val):
11223 return _IMP_kernel.Vector5D___setitem__(self, index, val)
11226 __swig_destroy__ = _IMP_kernel.delete_Vector5D
11229 _IMP_kernel.Vector5D_swigregister(Vector5D)
11230 class Vector6D(_VectorBase6D):
11231 r"""Proxy of C++ IMP::VectorD< 6 > class."""
11233 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11235 def get_unit_vector(self):
11236 r"""get_unit_vector(Vector6D self) -> Vector6D"""
11237 return _IMP_kernel.Vector6D_get_unit_vector(self)
11239 def __truediv__(self, *args):
11240 return _IMP_kernel.Vector6D___truediv__(self, *args)
11245 r"""__neg__(Vector6D self) -> Vector6D"""
11246 return _IMP_kernel.Vector6D___neg__(self)
11248 def __sub__(self, o):
11249 r"""__sub__(Vector6D self, Vector6D o) -> Vector6D"""
11250 return _IMP_kernel.Vector6D___sub__(self, o)
11252 def __add__(self, ret):
11253 r"""__add__(Vector6D self, Vector6D ret) -> Vector6D"""
11254 return _IMP_kernel.Vector6D___add__(self, ret)
11256 def __mul__(self, *args):
11258 __mul__(Vector6D self, double s) -> Vector6D
11259 __mul__(Vector6D self, Vector6D o) -> double
11261 return _IMP_kernel.Vector6D___mul__(self, *args)
11263 def __init__(self, *args):
11265 __init__(Vector6D self, IMP::Floats const & f) -> Vector6D
11266 __init__(Vector6D self) -> Vector6D
11267 __init__(Vector6D self, double x0, double x1, double x2, double x3, double x4, double x5) -> Vector6D
11269 _IMP_kernel.Vector6D_swiginit(self, _IMP_kernel.new_Vector6D(*args))
11271 def __iadd__(self, *args):
11272 _IMP_kernel.Vector6D___iadd__(self, *args)
11277 def __imul__(self, *args):
11278 _IMP_kernel.Vector6D___imul__(self, *args)
11283 def __itruediv__(self, *args):
11284 _IMP_kernel.Vector6D___itruediv__(self, *args)
11289 def __isub__(self, *args):
11290 _IMP_kernel.Vector6D___isub__(self, *args)
11296 r"""__len__(Vector6D self) -> unsigned int"""
11297 return _IMP_kernel.Vector6D___len__(self)
11299 def __rmul__(self, f):
11300 r"""__rmul__(Vector6D self, double f) -> Vector6D"""
11301 return _IMP_kernel.Vector6D___rmul__(self, f)
11304 r"""__str__(Vector6D self) -> std::string"""
11305 return _IMP_kernel.Vector6D___str__(self)
11307 def __repr__(self):
11308 r"""__repr__(Vector6D self) -> std::string"""
11309 return _IMP_kernel.Vector6D___repr__(self)
11311 def __cmp__(self, arg2):
11312 r"""__cmp__(Vector6D self, Vector6D arg2) -> int"""
11313 return _IMP_kernel.Vector6D___cmp__(self, arg2)
11315 def __eq__(self, arg2):
11316 r"""__eq__(Vector6D self, Vector6D arg2) -> bool"""
11317 return _IMP_kernel.Vector6D___eq__(self, arg2)
11319 def _get_as_binary(self):
11320 r"""_get_as_binary(Vector6D self) -> PyObject *"""
11321 return _IMP_kernel.Vector6D__get_as_binary(self)
11323 def _set_from_binary(self, p):
11324 r"""_set_from_binary(Vector6D self, PyObject * p)"""
11325 return _IMP_kernel.Vector6D__set_from_binary(self, p)
11327 def __getstate__(self):
11328 p = self._get_as_binary()
11329 if len(self.__dict__) > 1:
11330 d = self.__dict__.copy()
11335 def __setstate__(self, p):
11336 if not hasattr(self,
'this'):
11338 if isinstance(p, tuple):
11340 self.__dict__.update(d)
11341 return self._set_from_binary(p)
11344 def __getitem__(self, index):
11345 if isinstance(index, slice):
11346 return [self[i]
for i
in range(*index.indices(len(self)))]
11348 return _IMP_kernel.Vector6D___getitem__(self, index)
11352 def __setitem__(self, index, val):
11353 if isinstance(index, slice):
11354 if not hasattr(val,
'__iter__'):
11355 raise TypeError(
"must assign iterable to extended slice")
11356 inds = range(*index.indices(len(self)))
11357 if len(inds) != len(val):
11359 "attempt to assign sequence of size %d "
11360 "to extended slice of size %d" % (len(val), len(inds)))
11361 for ind, v
in zip(inds, val):
11364 return _IMP_kernel.Vector6D___setitem__(self, index, val)
11367 __swig_destroy__ = _IMP_kernel.delete_Vector6D
11370 _IMP_kernel.Vector6D_swigregister(Vector6D)
11371 class VectorKD(_VectorBaseKD):
11372 r"""Proxy of C++ IMP::VectorD< -1 > class."""
11374 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11376 def get_unit_vector(self):
11377 r"""get_unit_vector(VectorKD self) -> VectorKD"""
11378 return _IMP_kernel.VectorKD_get_unit_vector(self)
11380 def __truediv__(self, *args):
11381 return _IMP_kernel.VectorKD___truediv__(self, *args)
11386 r"""__neg__(VectorKD self) -> VectorKD"""
11387 return _IMP_kernel.VectorKD___neg__(self)
11389 def __sub__(self, o):
11390 r"""__sub__(VectorKD self, VectorKD o) -> VectorKD"""
11391 return _IMP_kernel.VectorKD___sub__(self, o)
11393 def __add__(self, ret):
11394 r"""__add__(VectorKD self, VectorKD ret) -> VectorKD"""
11395 return _IMP_kernel.VectorKD___add__(self, ret)
11397 def __mul__(self, *args):
11399 __mul__(VectorKD self, double s) -> VectorKD
11400 __mul__(VectorKD self, VectorKD o) -> double
11402 return _IMP_kernel.VectorKD___mul__(self, *args)
11404 def __init__(self, *args):
11406 __init__(VectorKD self, IMP::Floats const & f) -> VectorKD
11407 __init__(VectorKD self) -> VectorKD
11408 __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
11410 _IMP_kernel.VectorKD_swiginit(self, _IMP_kernel.new_VectorKD(*args))
11412 def __iadd__(self, *args):
11413 _IMP_kernel.VectorKD___iadd__(self, *args)
11418 def __imul__(self, *args):
11419 _IMP_kernel.VectorKD___imul__(self, *args)
11424 def __itruediv__(self, *args):
11425 _IMP_kernel.VectorKD___itruediv__(self, *args)
11430 def __isub__(self, *args):
11431 _IMP_kernel.VectorKD___isub__(self, *args)
11437 r"""__len__(VectorKD self) -> unsigned int"""
11438 return _IMP_kernel.VectorKD___len__(self)
11440 def __rmul__(self, f):
11441 r"""__rmul__(VectorKD self, double f) -> VectorKD"""
11442 return _IMP_kernel.VectorKD___rmul__(self, f)
11445 r"""__str__(VectorKD self) -> std::string"""
11446 return _IMP_kernel.VectorKD___str__(self)
11448 def __repr__(self):
11449 r"""__repr__(VectorKD self) -> std::string"""
11450 return _IMP_kernel.VectorKD___repr__(self)
11452 def __cmp__(self, arg2):
11453 r"""__cmp__(VectorKD self, VectorKD arg2) -> int"""
11454 return _IMP_kernel.VectorKD___cmp__(self, arg2)
11456 def __eq__(self, arg2):
11457 r"""__eq__(VectorKD self, VectorKD arg2) -> bool"""
11458 return _IMP_kernel.VectorKD___eq__(self, arg2)
11460 def _get_as_binary(self):
11461 r"""_get_as_binary(VectorKD self) -> PyObject *"""
11462 return _IMP_kernel.VectorKD__get_as_binary(self)
11464 def _set_from_binary(self, p):
11465 r"""_set_from_binary(VectorKD self, PyObject * p)"""
11466 return _IMP_kernel.VectorKD__set_from_binary(self, p)
11468 def __getstate__(self):
11469 p = self._get_as_binary()
11470 if len(self.__dict__) > 1:
11471 d = self.__dict__.copy()
11476 def __setstate__(self, p):
11477 if not hasattr(self,
'this'):
11479 if isinstance(p, tuple):
11481 self.__dict__.update(d)
11482 return self._set_from_binary(p)
11485 def __getitem__(self, index):
11486 if isinstance(index, slice):
11487 return [self[i]
for i
in range(*index.indices(len(self)))]
11489 return _IMP_kernel.VectorKD___getitem__(self, index)
11493 def __setitem__(self, index, val):
11494 if isinstance(index, slice):
11495 if not hasattr(val,
'__iter__'):
11496 raise TypeError(
"must assign iterable to extended slice")
11497 inds = range(*index.indices(len(self)))
11498 if len(inds) != len(val):
11500 "attempt to assign sequence of size %d "
11501 "to extended slice of size %d" % (len(val), len(inds)))
11502 for ind, v
in zip(inds, val):
11505 return _IMP_kernel.VectorKD___setitem__(self, index, val)
11508 __swig_destroy__ = _IMP_kernel.delete_VectorKD
11511 _IMP_kernel.VectorKD_swigregister(VectorKD)
11513 def get_basis_vector_1d(coordinate):
11514 r"""get_basis_vector_1d(unsigned int coordinate) -> Vector1D"""
11515 return _IMP_kernel.get_basis_vector_1d(coordinate)
11517 def get_basis_vector_2d(coordinate):
11518 r"""get_basis_vector_2d(unsigned int coordinate) -> Vector2D"""
11519 return _IMP_kernel.get_basis_vector_2d(coordinate)
11521 def get_basis_vector_3d(coordinate):
11522 r"""get_basis_vector_3d(unsigned int coordinate) -> Vector3D"""
11523 return _IMP_kernel.get_basis_vector_3d(coordinate)
11525 def get_basis_vector_4d(coordinate):
11526 r"""get_basis_vector_4d(unsigned int coordinate) -> Vector4D"""
11527 return _IMP_kernel.get_basis_vector_4d(coordinate)
11529 def get_basis_vector_5d(coordinate):
11530 r"""get_basis_vector_5d(unsigned int coordinate) -> Vector5D"""
11531 return _IMP_kernel.get_basis_vector_5d(coordinate)
11533 def get_basis_vector_6d(coordinate):
11534 r"""get_basis_vector_6d(unsigned int coordinate) -> Vector6D"""
11535 return _IMP_kernel.get_basis_vector_6d(coordinate)
11537 def get_zero_vector_1d():
11538 r"""get_zero_vector_1d() -> Vector1D"""
11539 return _IMP_kernel.get_zero_vector_1d()
11541 def get_zero_vector_2d():
11542 r"""get_zero_vector_2d() -> Vector2D"""
11543 return _IMP_kernel.get_zero_vector_2d()
11545 def get_zero_vector_3d():
11546 r"""get_zero_vector_3d() -> Vector3D"""
11547 return _IMP_kernel.get_zero_vector_3d()
11549 def get_zero_vector_4d():
11550 r"""get_zero_vector_4d() -> Vector4D"""
11551 return _IMP_kernel.get_zero_vector_4d()
11553 def get_zero_vector_5d():
11554 r"""get_zero_vector_5d() -> Vector5D"""
11555 return _IMP_kernel.get_zero_vector_5d()
11557 def get_zero_vector_6d():
11558 r"""get_zero_vector_6d() -> Vector6D"""
11559 return _IMP_kernel.get_zero_vector_6d()
11561 def get_ones_vector_1d(v=1):
11562 r"""get_ones_vector_1d(double v=1) -> Vector1D"""
11563 return _IMP_kernel.get_ones_vector_1d(v)
11565 def get_ones_vector_2d(v=1):
11566 r"""get_ones_vector_2d(double v=1) -> Vector2D"""
11567 return _IMP_kernel.get_ones_vector_2d(v)
11569 def get_ones_vector_3d(v=1):
11570 r"""get_ones_vector_3d(double v=1) -> Vector3D"""
11571 return _IMP_kernel.get_ones_vector_3d(v)
11573 def get_ones_vector_4d(v=1):
11574 r"""get_ones_vector_4d(double v=1) -> Vector4D"""
11575 return _IMP_kernel.get_ones_vector_4d(v)
11577 def get_ones_vector_5d(v=1):
11578 r"""get_ones_vector_5d(double v=1) -> Vector5D"""
11579 return _IMP_kernel.get_ones_vector_5d(v)
11581 def get_ones_vector_6d(v=1):
11582 r"""get_ones_vector_6d(double v=1) -> Vector6D"""
11583 return _IMP_kernel.get_ones_vector_6d(v)
11585 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
11587 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11588 __repr__ = _swig_repr
11590 def __init__(self, *args):
11592 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
11593 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
11595 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
11597 def do_add_score_and_derivatives(self, sa, ss):
11598 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
11599 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
11601 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
11602 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)"""
11603 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
11605 def do_get_inputs(self):
11606 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
11607 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
11609 def get_restraints(self):
11610 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
11611 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
11613 def set_restraints(self, s):
11614 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
11615 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
11617 def get_number_of_restraints(self):
11618 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
11619 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
11621 def clear_restraints(self):
11622 r"""clear_restraints(_RestraintsScoringFunction self)"""
11623 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
11625 def get_restraint(self, i):
11626 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
11627 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
11629 def erase_restraint(self, i):
11630 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
11631 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
11634 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
11635 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
11638 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
11639 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
11641 def _python_index_restraint(self, r, start, stop):
11642 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
11643 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
11646 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
11647 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
11648 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
11652 return _object_cast_to__RestraintsScoringFunction(o)
11655 def __get_restraints(self):
11656 return _list_util.VarList(
11657 getdimfunc=self.get_number_of_restraints,
11658 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
11659 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
11660 clearfunc=self.clear_restraints,
11661 indexfunc=self._python_index_restraint)
11663 def __set_restraints(self, obj):
11664 _list_util.set_varlist(self.restraints, obj)
11666 def __del_restraints(self):
11667 _list_util.del_varlist(self.restraints)
11669 restraints = property(__get_restraints, __set_restraints,
11670 __del_restraints, doc=
"List of Restraints")
11673 def _get_jax(self, space=None):
11676 jis = [r.get_derived_object()._get_jax(space)
for r
in self.restraints]
11677 funcs = [j.score_func
for j
in jis]
11678 keys = frozenset(x
for j
in jis
for x
in j._keys)
11680 return sum(f(jm)
for f
in funcs)
11681 return IMP._jax_util.JAXRestraintInfo(
11682 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
11686 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
11688 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
11690 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11692 def __init__(self, *args):
11694 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
11695 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
11697 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
11699 def set(self, p, key, value):
11700 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
11701 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
11704 r"""reset(ScopedSetFloatAttribute self)"""
11705 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
11706 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
11708 def show(self, *args):
11709 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
11710 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
11713 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
11714 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
11716 def __repr__(self):
11717 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
11718 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
11721 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
11723 def _get_module_data_path(module, file_name):
11724 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
11725 return _IMP_kernel._get_module_data_path(module, file_name)
11727 def _get_module_example_path(module, file_name):
11728 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
11729 return _IMP_kernel._get_module_example_path(module, file_name)
11738 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
11739 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
11740 pathcomps = os.environ[
'PATH'].split(
";")
11742 if d
not in pathcomps:
11743 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
11751 """Allow command line tools to easily implement multiple commands.
11752 Typically, an IMP command line tool will use an instance of this class
11753 to provide a consistent interface to multiple distinct commands
11754 from a single binary, rather than providing a potentially large
11755 number of binaries. This is similar to the way a number of common
11756 command line tools outside of IMP function (e.g. Git provides a single
11757 `git` tool which implements multiple commands - `git add`, `git commit`,
11758 `git push` and so on).
11760 Each command is implemented with a Python module of the same name
11761 that can be imported from the module (for example, if `module_name`
11762 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
11763 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
11764 Each such module should have a docstring and a `%main()` method
11765 that takes no arguments (the module should also call its `%main()` method
11766 if it is run directly, i.e. with something like
11767 `if __name__=="__main__": %main()`). The encompassing module
11768 (`IMP.foo` in the example) should define `_all_commands` as a Python
11769 list of all valid commands.
11771 See the `multifit` and `cnmultifit` command line tools for example
11777 @param short_help A few words that describe the command line tool.
11778 @param long_help Longer text, used in the `help` command.
11779 @param module_name Name of the module (e.g. `IMP.foo`) that
11780 implements the commands.
11782 self.short_help = short_help
11783 self.long_help = long_help
11784 self.module_name = module_name
11785 self._all_commands = self.import_module()._all_commands
11786 self._progname = os.path.basename(sys.argv[0])
11789 """Call this method to act upon the user-provided command line"""
11790 if len(sys.argv) <= 1:
11791 print(self.short_help +
" Use '%s help' for help." % self._progname)
11793 command = sys.argv[1]
11794 if command
in (
'help',
'--help',
'-h'):
11795 if len(sys.argv) == 3:
11796 self.show_command_help(sys.argv[2])
11799 elif command ==
'--version':
11800 self.show_version()
11801 elif command
in self._all_commands:
11802 self.do_command(command)
11804 self.unknown_command(command)
11806 def import_module(self, mod=None):
11807 modname = self.module_name
11808 if mod
is not None:
11809 modname +=
"." + mod
11810 return __import__(modname, {}, {}, [
''])
11812 def unknown_command(self, command):
11813 print(
"Unknown command: '%s'" % command)
11814 print(
"Use '%s help' for help." % self._progname)
11817 def _get_version(self):
11820 def show_version(self):
11821 print(self._progname +
' ' + self._get_version())
11823 def show_help(self):
11824 ver = self._get_version()
11825 print(
"%s, version %s." % (self._progname, ver))
11826 print(self.long_help +
"""
11828 This program is part of IMP, the Integrative Modeling Platform,
11830 For additional information about IMP, see <https://integrativemodeling.org>.
11832 Usage: %s <command> [options] [args]
11835 commands = self._all_commands[:] + [
'help']
11837 cmdlen = max([len(c)
for c
in commands])
11840 doc =
'Get help on using %s.' % self._progname
11842 doc = self.import_module(c).__doc__
or "<no help>"
11843 c +=
' ' * (cmdlen - len(c))
11844 print(
' ' + c +
' ' + doc)
11846 Use "%s help <command>" for detailed help on any command
11847 or "%s --version" to see the version number.""" % (self._progname,
11850 def do_command(self, command):
11851 mod = self.import_module(command)
11852 sys.argv[0] = self._progname +
' ' + command
11856 def show_command_help(self, command):
11857 if command ==
'help':
11859 elif command
in self._all_commands
or command ==
'help':
11860 mod = self.import_module(command)
11861 sys.argv = [self._progname +
' ' + command,
'--help']
11864 self.unknown_command(command)
11871 g = networkx.DiGraph()
11872 if len(ig.get_vertices()) == 0:
11881 return self.p.get_name()
11883 def __call__(self, name):
11884 return self.p.__call__(name)
11886 for vi
in ig.get_vertices():
11887 n = ig.get_vertex_name(vi)
11888 g.add_node(NodeWrapper(n))
11889 for vi
in ig.get_vertices():
11890 n = ig.get_vertex_name(vi)
11891 for ni
in ig.get_out_neighbors(vi):
11892 nn = ig.get_vertex_name(ni)
11893 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
11900 n0 = name.get_name()
11903 n1 = str(n0).replace(
'"',
'')
11904 n2 = n1.replace(
"\n",
'')
11907 from altgraph
import Graph, Dot
11908 graph = Graph.Graph()
11909 for i, v
in enumerate(g.get_vertices()):
11911 for i, v
in enumerate(g.get_vertices()):
11912 for n
in g.get_out_neighbors(v):
11913 graph.add_edge(v, n)
11914 dot = Dot.Dot(graph)
11915 for i, v
in enumerate(g.get_vertices()):
11916 dot.node_style(i, label=clean(g.get_vertex_name(v)))
11924 st = g.get_graphviz_string()
11925 with open(tfn,
"w")
as fh:
11928 print(
"running dot")
11929 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
11933 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")
11936 if platform.system() ==
"Darwin":
11939 cmd = [
"gv",
"acroread",
"xpdf"]
11942 print(
"launching viewer " + c)
11944 subprocess.check_call([c, tfon])
11950 print(
"Could not display file. It is saved at " + tfon)
11960 """Mark a Python module as deprecated.
11961 @note The `module` argument would normally be `__name__`.
11962 @see [deprecation support](@ref deprecation)."""
11964 "Module %s is deprecated. %s\n" % (module, help_message))
11967 """Python decorator to mark a class as deprecated.
11968 @see [deprecation support](@ref deprecation)."""
11970 orig_init = obj.__init__
11973 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
11974 def __init__(obj, *args, **keys):
11976 % (type(obj), help_message))
11977 orig_init(obj, *args, **keys)
11978 obj.__init__ = __init__
11983 """Python decorator to mark a method as deprecated.
11984 @see [deprecation support](@ref deprecation)."""
11985 def out_wrapper(obj):
11986 @functools.wraps(obj)
11987 def wrapper(cls, *args, **keys):
11989 % (obj.__name__, type(cls), help_message))
11990 return obj(cls, *args, **keys)
11995 """Python decorator to mark a function as deprecated.
11996 @see [deprecation support](@ref deprecation)."""
11997 def out_wrapper(obj):
11998 @functools.wraps(obj)
11999 def wrapper(*args, **keys):
12001 % (obj.__name__, help_message))
12002 return obj(*args, **keys)
12006 @contextlib.contextmanager
12008 """Context manager to temporarily allow (or disallow) deprecated code.
12009 @see [deprecation support](@ref deprecation)."""
12016 def _get_all_flags(ntokens):
12017 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
12018 return _IMP_kernel._get_all_flags(ntokens)
12020 def _print_internal_help(out, description):
12021 r"""_print_internal_help(_ostream out, std::string description)"""
12022 return _IMP_kernel._print_internal_help(out, description)
12028 class _PassThroughAction(argparse.Action):
12029 """Pass an argument through to the IMP Boost parser"""
12030 def __call__(self, parser, namespace, values, option_string=None):
12031 parser._boost_command_line.append(option_string)
12033 parser._boost_command_line.append(values)
12036 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
12037 parser._handle_boost()
12041 """IMP-specific subclass of argparse.ArgumentParser.
12042 This adds options common to all IMP applications
12043 (see IMP::setup_from_argv()).
12046 def __init__(self, *args, **kwargs):
12048 kwargs[
'add_help'] =
False
12049 super().__init__(*args, **kwargs)
12050 for ntoken
in (0, 1):
12051 flags = _get_all_flags(ntoken)
12053 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
12054 self.add_argument(*arg, help=argparse.SUPPRESS,
12055 nargs=
None if ntoken
else 0,
12056 action=_PassThroughAction,
12057 default=argparse.SUPPRESS)
12060 """Parse the command line and return optional and positional arguments.
12061 This functions in the same way as the method in the base class
12062 argparse.ArgumentParser, except that it also processes optional
12063 arguments common to all IMP applications (these are not returned
12064 in `args`, but can be obtained in the usual way, e.g. by calling
12065 IMP::get_string_flag()).
12068 self._boost_command_line = [sys.argv[0]]
12070 if len(self._boost_command_line) > 1:
12071 self._handle_boost()
12074 def _get_description(self):
12075 return self.format_help() +
"\nOptions common to all IMP applications:"
12077 def print_help(self, file=None):
12078 _print_internal_help(file
if file
else sys.stdout,
12079 self._get_description())
12081 def _handle_boost(self):
12083 self._get_description(),
12086 class RandomNumberGenerator(object):
12087 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
12089 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12090 __repr__ = _swig_repr
12093 r"""seed(RandomNumberGenerator self, int x)"""
12094 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
12096 def __call__(self):
12097 r"""__call__(RandomNumberGenerator self) -> int"""
12098 return _IMP_kernel.RandomNumberGenerator___call__(self)
12100 def get_state(self):
12101 r"""get_state(RandomNumberGenerator self) -> PyObject *"""
12102 return _IMP_kernel.RandomNumberGenerator_get_state(self)
12104 def set_state(self, p):
12105 r"""set_state(RandomNumberGenerator self, PyObject * p)"""
12106 return _IMP_kernel.RandomNumberGenerator_set_state(self, p)
12108 def __init__(self):
12109 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
12110 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
12111 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
12114 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
12118 get_random_float_uniform() -> float
12119 get_random_float_uniform(float min, float max) -> float
12121 return _IMP_kernel.get_random_float_uniform(*args)
12125 get_random_double_uniform() -> double
12126 get_random_double_uniform(double min, double max) -> double
12128 return _IMP_kernel.get_random_double_uniform(*args)
12130 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
12131 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
12132 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
12134 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
12135 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
12136 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
12138 def get_random_floats_uniform(n):
12139 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
12140 return _IMP_kernel.get_random_floats_uniform(n)
12142 def get_random_doubles_uniform(n):
12143 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
12144 return _IMP_kernel.get_random_doubles_uniform(n)
12147 r"""get_random_seed() -> boost::uint64_t"""
12148 return _IMP_kernel.get_random_seed()
12150 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
12151 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12152 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
12154 def _get_floats_numpy(m, k, m_pyobj, read_only):
12155 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12156 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
12158 def _get_ints_numpy(m, k, m_pyobj, read_only):
12159 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12160 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
12162 def _get_particle_indexes_numpy(m, k, m_pyobj, read_only):
12163 r"""_get_particle_indexes_numpy(Model m, ParticleIndexKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12164 return _IMP_kernel._get_particle_indexes_numpy(m, k, m_pyobj, read_only)
12166 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
12167 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12168 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
12170 def _get_vector3dderiv_numpy(m, k, m_pyobj, read_only):
12171 r"""_get_vector3dderiv_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12172 return _IMP_kernel._get_vector3dderiv_numpy(m, k, m_pyobj, read_only)
12174 def _get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12175 r"""_get_vector3dderiv_derivatives_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12176 return _IMP_kernel._get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12178 def _get_vector4ds_numpy(m, k, m_pyobj, read_only):
12179 r"""_get_vector4ds_numpy(Model m, Vector4DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12180 return _IMP_kernel._get_vector4ds_numpy(m, k, m_pyobj, read_only)
12182 def _get_vector4dderiv_numpy(m, k, m_pyobj, read_only):
12183 r"""_get_vector4dderiv_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12184 return _IMP_kernel._get_vector4dderiv_numpy(m, k, m_pyobj, read_only)
12186 def _get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12187 r"""_get_vector4dderiv_derivatives_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12188 return _IMP_kernel._get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12190 def _get_spheres_numpy(m, m_pyobj, read_only):
12191 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12192 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
12194 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
12195 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12196 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
12198 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
12199 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12200 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
12202 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
12203 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12204 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
12208 ParticleIndex = numpy.intc
12209 except ImportError:
12214 """Warning for incomplete JAX support or different behavior of JAX code"""
12218 def get_module_name():
12219 r"""get_module_name() -> std::string const"""
12220 return _IMP_kernel.get_module_name()
12223 r"""get_module_version() -> std::string const"""
12224 return _IMP_kernel.get_module_version()
12227 r"""get_example_path(std::string fname) -> std::string"""
12228 return _IMP_kernel.get_example_path(fname)
12231 r"""get_data_path(std::string fname) -> std::string"""
12232 return _IMP_kernel.get_data_path(fname)
12234 from .
import _version_check
12239 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.
An unbounded space with no periodic boundary conditions.
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.
Support for the JAX Python library.
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.