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':
1371 type_name =
'_RestraintsScoringFunction'
1372 modobj = sys.modules[modname]
1373 clsobj = getattr(modobj, type_name)
1374 return clsobj.get_from(self)
1378 r"""__str__(Object self) -> std::string"""
1379 return _IMP_kernel.Object___str__(self)
1382 r"""__repr__(Object self) -> std::string"""
1383 return _IMP_kernel.Object___repr__(self)
1387 return _object_cast_to_Object(o)
1389 def __disown__(self):
1391 _IMP_kernel.disown_Object(self)
1392 return weakref.proxy(self)
1395 _IMP_kernel.Object_swigregister(Object)
1396 class SetLogState(_RAII):
1397 r"""Proxy of C++ IMP::SetLogState class."""
1399 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1402 r"""reset(SetLogState self)"""
1403 return _IMP_kernel.SetLogState_reset(self)
1404 __swig_destroy__ = _IMP_kernel.delete_SetLogState
1406 def show(self, *args):
1407 r"""show(SetLogState self, _ostream out=std::cout)"""
1408 return _IMP_kernel.SetLogState_show(self, *args)
1410 def __init__(self, *args):
1412 __init__(SetLogState self) -> SetLogState
1413 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
1414 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
1416 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
1418 def set(self, *args):
1420 set(SetLogState self, Object o, IMP::LogLevel l)
1421 set(SetLogState self, IMP::LogLevel l)
1423 return _IMP_kernel.SetLogState_set(self, *args)
1425 def __enter__(self):
1427 def __exit__(self, exc_type, exc_val, exc_tb):
1433 r"""__str__(SetLogState self) -> std::string"""
1434 return _IMP_kernel.SetLogState___str__(self)
1437 r"""__repr__(SetLogState self) -> std::string"""
1438 return _IMP_kernel.SetLogState___repr__(self)
1441 _IMP_kernel.SetLogState_swigregister(SetLogState)
1442 class WarningContext(object):
1443 r"""Proxy of C++ IMP::WarningContext class."""
1445 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1446 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
1448 def add_warning(self, key, warning):
1449 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
1450 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
1452 def clear_warnings(self):
1453 r"""clear_warnings(WarningContext self)"""
1454 return _IMP_kernel.WarningContext_clear_warnings(self)
1456 def dump_warnings(self):
1457 r"""dump_warnings(WarningContext self)"""
1458 return _IMP_kernel.WarningContext_dump_warnings(self)
1459 __swig_destroy__ = _IMP_kernel.delete_WarningContext
1461 def show(self, *args):
1462 r"""show(WarningContext self, _ostream out=std::cout)"""
1463 return _IMP_kernel.WarningContext_show(self, *args)
1465 def __enter__(self):
1467 def __exit__(self, exc_type, exc_val, exc_tb):
1473 r"""__str__(WarningContext self) -> std::string"""
1474 return _IMP_kernel.WarningContext___str__(self)
1477 r"""__repr__(WarningContext self) -> std::string"""
1478 return _IMP_kernel.WarningContext___repr__(self)
1481 r"""__init__(WarningContext self) -> WarningContext"""
1482 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
1485 _IMP_kernel.WarningContext_swigregister(WarningContext)
1486 class CreateLogContext(_RAII):
1487 r"""Proxy of C++ IMP::CreateLogContext class."""
1489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1491 def __init__(self, *args):
1493 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
1494 __init__(CreateLogContext self) -> CreateLogContext
1495 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
1497 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
1499 def set(self, fname, object=None):
1500 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
1501 return _IMP_kernel.CreateLogContext_set(self, fname, object)
1504 r"""reset(CreateLogContext self)"""
1505 return _IMP_kernel.CreateLogContext_reset(self)
1506 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1508 def show(self, *args):
1509 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1510 return _IMP_kernel.CreateLogContext_show(self, *args)
1512 def __enter__(self):
1514 def __exit__(self, exc_type, exc_val, exc_tb):
1520 r"""__str__(CreateLogContext self) -> std::string"""
1521 return _IMP_kernel.CreateLogContext___str__(self)
1524 r"""__repr__(CreateLogContext self) -> std::string"""
1525 return _IMP_kernel.CreateLogContext___repr__(self)
1528 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1529 class SetCheckState(_RAII):
1530 r"""Proxy of C++ IMP::SetCheckState class."""
1532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1535 r"""reset(SetCheckState self)"""
1536 return _IMP_kernel.SetCheckState_reset(self)
1537 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1539 def show(self, *args):
1540 r"""show(SetCheckState self, _ostream out=std::cout)"""
1541 return _IMP_kernel.SetCheckState_show(self, *args)
1543 def __init__(self, *args):
1545 __init__(SetCheckState self) -> SetCheckState
1546 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1547 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1549 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1551 def set(self, *args):
1553 set(SetCheckState self, Object o, IMP::CheckLevel l)
1554 set(SetCheckState self, IMP::CheckLevel l)
1556 return _IMP_kernel.SetCheckState_set(self, *args)
1558 def __enter__(self):
1560 def __exit__(self, exc_type, exc_val, exc_tb):
1566 r"""__str__(SetCheckState self) -> std::string"""
1567 return _IMP_kernel.SetCheckState___str__(self)
1570 r"""__repr__(SetCheckState self) -> std::string"""
1571 return _IMP_kernel.SetCheckState___repr__(self)
1574 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1577 r"""get_unique_name(std::string templ) -> std::string"""
1578 return _IMP_kernel.get_unique_name(templ)
1581 r"""get_copyright() -> std::string"""
1582 return _IMP_kernel.get_copyright()
1583 class _Protection(object):
1584 r"""Proxy of C++ IMP::internal::_Protection class."""
1586 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1588 def __init__(self, *args, **kwargs):
1589 raise AttributeError(
"No constructor defined")
1591 def show(self, *args):
1592 r"""show(_Protection self, _ostream out=std::cout)"""
1593 return _IMP_kernel._Protection_show(self, *args)
1596 r"""__str__(_Protection self) -> std::string"""
1597 return _IMP_kernel._Protection___str__(self)
1600 r"""__repr__(_Protection self) -> std::string"""
1601 return _IMP_kernel._Protection___repr__(self)
1602 __swig_destroy__ = _IMP_kernel.delete__Protection
1605 _IMP_kernel._Protection_swigregister(_Protection)
1609 return _IMP_kernel._test_log()
1611 def _test_intranges(ips):
1612 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1613 return _IMP_kernel._test_intranges(ips)
1615 def _test_intrange(*args):
1617 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1618 _test_intrange() -> IMP::IntRange
1620 return _IMP_kernel._test_intrange(*args)
1623 r"""_test_ifile(TextInput a) -> std::string"""
1624 return _IMP_kernel._test_ifile(a)
1627 r"""_test_ofile(TextOutput a) -> std::string"""
1628 return _IMP_kernel._test_ofile(a)
1630 def _test_ifile_overloaded(*args):
1632 _test_ifile_overloaded(TextInput a, int i) -> std::string
1633 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1635 return _IMP_kernel._test_ifile_overloaded(*args)
1637 def _test_ofile_overloaded(*args):
1639 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1640 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1642 return _IMP_kernel._test_ofile_overloaded(*args)
1643 class _TestValue(object):
1644 r"""Proxy of C++ IMP::internal::_TestValue class."""
1646 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1648 def __init__(self, i):
1649 r"""__init__(_TestValue self, int i) -> _TestValue"""
1650 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1652 def show(self, *args):
1653 r"""show(_TestValue self, _ostream out=std::cout)"""
1654 return _IMP_kernel._TestValue_show(self, *args)
1656 def __cmp__(self, o):
1657 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1658 return _IMP_kernel._TestValue___cmp__(self, o)
1660 def __eq__(self, o):
1661 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1662 return _IMP_kernel._TestValue___eq__(self, o)
1664 def __ne__(self, o):
1665 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1666 return _IMP_kernel._TestValue___ne__(self, o)
1668 def __lt__(self, o):
1669 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1670 return _IMP_kernel._TestValue___lt__(self, o)
1672 def __gt__(self, o):
1673 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1674 return _IMP_kernel._TestValue___gt__(self, o)
1676 def __ge__(self, o):
1677 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1678 return _IMP_kernel._TestValue___ge__(self, o)
1680 def __le__(self, o):
1681 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1682 return _IMP_kernel._TestValue___le__(self, o)
1685 r"""get(_TestValue self) -> int"""
1686 return _IMP_kernel._TestValue_get(self)
1688 def get_float(self):
1689 r"""get_float(_TestValue self) -> float const &"""
1690 return _IMP_kernel._TestValue_get_float(self)
1692 def get_double(self):
1693 r"""get_double(_TestValue self) -> double const &"""
1694 return _IMP_kernel._TestValue_get_double(self)
1696 def get_Float(self):
1697 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1698 return _IMP_kernel._TestValue_get_Float(self)
1701 r"""get_int(_TestValue self) -> int const &"""
1702 return _IMP_kernel._TestValue_get_int(self)
1705 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1706 return _IMP_kernel._TestValue_get_Int(self)
1708 def get_string(self):
1709 r"""get_string(_TestValue self) -> std::string const &"""
1710 return _IMP_kernel._TestValue_get_string(self)
1712 def get_String(self):
1713 r"""get_String(_TestValue self) -> IMP::String const &"""
1714 return _IMP_kernel._TestValue_get_String(self)
1717 r"""__str__(_TestValue self) -> std::string"""
1718 return _IMP_kernel._TestValue___str__(self)
1721 r"""__repr__(_TestValue self) -> std::string"""
1722 return _IMP_kernel._TestValue___repr__(self)
1723 __swig_destroy__ = _IMP_kernel.delete__TestValue
1726 _IMP_kernel._TestValue_swigregister(_TestValue)
1728 def _pass_plain_pair(p):
1729 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1730 return _IMP_kernel._pass_plain_pair(p)
1732 def _pass_overloaded_strings(*args):
1734 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1735 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1737 return _IMP_kernel._pass_overloaded_strings(*args)
1740 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1741 return _IMP_kernel._pass_pair(p)
1743 def _pass_floats(input):
1744 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1745 return _IMP_kernel._pass_floats(input)
1747 def _pass_ints(input):
1748 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1749 return _IMP_kernel._pass_ints(input)
1751 def _pass_ints_list(input):
1752 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1753 return _IMP_kernel._pass_ints_list(input)
1755 def _pass_ints_lists(input):
1756 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1757 return _IMP_kernel._pass_ints_lists(input)
1759 def _pass_strings(input):
1760 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1761 return _IMP_kernel._pass_strings(input)
1762 class _TestObject(
Object):
1763 r"""Proxy of C++ IMP::internal::_TestObject class."""
1765 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1768 r"""__init__(_TestObject self) -> _TestObject"""
1769 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1772 r"""get_version_info(_TestObject self) -> VersionInfo"""
1773 return _IMP_kernel._TestObject_get_version_info(self)
1774 __swig_destroy__ = _IMP_kernel.delete__TestObject
1777 r"""__str__(_TestObject self) -> std::string"""
1778 return _IMP_kernel._TestObject___str__(self)
1781 r"""__repr__(_TestObject self) -> std::string"""
1782 return _IMP_kernel._TestObject___repr__(self)
1786 return _object_cast_to__TestObject(o)
1790 _IMP_kernel._TestObject_swigregister(_TestObject)
1793 r"""get_live_object_names() -> IMP::Strings"""
1794 return _IMP_kernel.get_live_object_names()
1797 r"""get_live_objects() -> IMP::Objects"""
1798 return _IMP_kernel.get_live_objects()
1801 r"""set_show_leaked_objects(bool tf)"""
1802 return _IMP_kernel.set_show_leaked_objects(tf)
1805 r"""set_deprecation_warnings(bool tf)"""
1806 return _IMP_kernel.set_deprecation_warnings(tf)
1809 r"""set_deprecation_exceptions(bool tf)"""
1810 return _IMP_kernel.set_deprecation_exceptions(tf)
1813 r"""get_deprecation_exceptions() -> bool"""
1814 return _IMP_kernel.get_deprecation_exceptions()
1817 r"""handle_use_deprecated(std::string message)"""
1818 return _IMP_kernel.handle_use_deprecated(message)
1821 r"""get_number_of_threads() -> unsigned int"""
1822 return _IMP_kernel.get_number_of_threads()
1825 r"""set_number_of_threads(unsigned int n)"""
1826 return _IMP_kernel.set_number_of_threads(n)
1827 class SetNumberOfThreads(_RAII):
1828 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1830 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1832 def __init__(self, *args):
1834 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1835 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1837 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1840 r"""set(SetNumberOfThreads self, unsigned int n)"""
1841 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1844 r"""reset(SetNumberOfThreads self)"""
1845 return _IMP_kernel.SetNumberOfThreads_reset(self)
1846 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1848 def show(self, *args):
1849 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1850 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1852 def __enter__(self):
1854 def __exit__(self, exc_type, exc_val, exc_tb):
1860 r"""__str__(SetNumberOfThreads self) -> std::string"""
1861 return _IMP_kernel.SetNumberOfThreads___str__(self)
1864 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1865 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1868 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1871 i_m_p=
"IMP_MODULE_PATH"
1872 if i_m_p
in os.environ.keys():
1873 __path__.insert(0, os.environ[i_m_p])
1875 def _forward_add_attribute(self, name, value, opt=None):
1877 self.get_particle().add_attribute(name, value, opt)
1879 self.get_particle().add_attribute(name, value)
1880 def _forward_get_value(self, name):
1881 self.get_particle().get_value(name)
1882 def _forward_set_value(self, name, value):
1883 self.get_particle().set_value(name, value)
1889 _object_types.append(
"Constraint")
1892 def _object_cast_to_Constraint(o):
1893 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1894 return _IMP_kernel._object_cast_to_Constraint(o)
1896 _object_types.append(
"Undecorator")
1899 def _object_cast_to_Undecorator(o):
1900 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1901 return _IMP_kernel._object_cast_to_Undecorator(o)
1903 _object_types.append(
"Container")
1906 def _object_cast_to_Container(o):
1907 r"""_object_cast_to_Container(Object o) -> Container"""
1908 return _IMP_kernel._object_cast_to_Container(o)
1910 _object_types.append(
"Optimizer")
1913 def _object_cast_to_Optimizer(o):
1914 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1915 return _IMP_kernel._object_cast_to_Optimizer(o)
1917 _object_types.append(
"AttributeOptimizer")
1920 def _object_cast_to_AttributeOptimizer(o):
1921 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1922 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1924 _object_types.append(
"OptimizerState")
1927 def _object_cast_to_OptimizerState(o):
1928 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1929 return _IMP_kernel._object_cast_to_OptimizerState(o)
1931 _object_types.append(
"PairContainer")
1934 def _object_cast_to_PairContainer(o):
1935 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1936 return _IMP_kernel._object_cast_to_PairContainer(o)
1938 _object_types.append(
"PairModifier")
1941 def _object_cast_to_PairModifier(o):
1942 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1943 return _IMP_kernel._object_cast_to_PairModifier(o)
1945 _object_types.append(
"PairScore")
1948 def _object_cast_to_PairScore(o):
1949 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1950 return _IMP_kernel._object_cast_to_PairScore(o)
1952 _object_types.append(
"QuadContainer")
1955 def _object_cast_to_QuadContainer(o):
1956 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1957 return _IMP_kernel._object_cast_to_QuadContainer(o)
1959 _object_types.append(
"QuadModifier")
1962 def _object_cast_to_QuadModifier(o):
1963 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1964 return _IMP_kernel._object_cast_to_QuadModifier(o)
1966 _object_types.append(
"QuadScore")
1969 def _object_cast_to_QuadScore(o):
1970 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1971 return _IMP_kernel._object_cast_to_QuadScore(o)
1973 _object_types.append(
"Refiner")
1976 def _object_cast_to_Refiner(o):
1977 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1978 return _IMP_kernel._object_cast_to_Refiner(o)
1980 _object_types.append(
"Restraint")
1983 def _object_cast_to_Restraint(o):
1984 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1985 return _IMP_kernel._object_cast_to_Restraint(o)
1987 _object_types.append(
"Sampler")
1990 def _object_cast_to_Sampler(o):
1991 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1992 return _IMP_kernel._object_cast_to_Sampler(o)
1994 _object_types.append(
"ScoreState")
1997 def _object_cast_to_ScoreState(o):
1998 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
1999 return _IMP_kernel._object_cast_to_ScoreState(o)
2001 _object_types.append(
"SingletonContainer")
2004 def _object_cast_to_SingletonContainer(o):
2005 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
2006 return _IMP_kernel._object_cast_to_SingletonContainer(o)
2008 _object_types.append(
"SingletonModifier")
2011 def _object_cast_to_SingletonModifier(o):
2012 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
2013 return _IMP_kernel._object_cast_to_SingletonModifier(o)
2015 _object_types.append(
"SingletonScore")
2018 def _object_cast_to_SingletonScore(o):
2019 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
2020 return _IMP_kernel._object_cast_to_SingletonScore(o)
2022 _object_types.append(
"TripletContainer")
2025 def _object_cast_to_TripletContainer(o):
2026 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
2027 return _IMP_kernel._object_cast_to_TripletContainer(o)
2029 _object_types.append(
"TripletModifier")
2032 def _object_cast_to_TripletModifier(o):
2033 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
2034 return _IMP_kernel._object_cast_to_TripletModifier(o)
2036 _object_types.append(
"TripletScore")
2039 def _object_cast_to_TripletScore(o):
2040 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
2041 return _IMP_kernel._object_cast_to_TripletScore(o)
2043 _object_types.append(
"UnaryFunction")
2046 def _object_cast_to_UnaryFunction(o):
2047 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
2048 return _IMP_kernel._object_cast_to_UnaryFunction(o)
2050 _object_types.append(
"RestraintInfo")
2053 def _object_cast_to_RestraintInfo(o):
2054 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
2055 return _IMP_kernel._object_cast_to_RestraintInfo(o)
2057 _object_types.append(
"ConfigurationSet")
2060 def _object_cast_to_ConfigurationSet(o):
2061 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
2062 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
2064 _object_types.append(
"Configuration")
2067 def _object_cast_to_Configuration(o):
2068 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
2069 return _IMP_kernel._object_cast_to_Configuration(o)
2071 _object_types.append(
"Model")
2074 def _object_cast_to_Model(o):
2075 r"""_object_cast_to_Model(Object o) -> Model"""
2076 return _IMP_kernel._object_cast_to_Model(o)
2078 _object_types.append(
"Particle")
2081 def _object_cast_to_Particle(o):
2082 r"""_object_cast_to_Particle(Object o) -> Particle"""
2083 return _IMP_kernel._object_cast_to_Particle(o)
2085 _object_types.append(
"RestraintSet")
2088 def _object_cast_to_RestraintSet(o):
2089 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
2090 return _IMP_kernel._object_cast_to_RestraintSet(o)
2092 ParticlePairsTemp=list
2093 _plural_types.append(
"ParticlePairsTemp")
2094 _value_types.append(
"ParticlePair")
2097 ParticleTripletsTemp=list
2098 _plural_types.append(
"ParticleTripletsTemp")
2099 _value_types.append(
"ParticleTriplet")
2102 ParticleQuadsTemp=list
2103 _plural_types.append(
"ParticleQuadsTemp")
2104 _value_types.append(
"ParticleQuad")
2107 ParticleIndexPairs=list
2108 _plural_types.append(
"ParticleIndexPairs")
2109 _value_types.append(
"ParticleIndexPair")
2112 ParticleIndexTriplets=list
2113 _plural_types.append(
"ParticleIndexTriplets")
2114 _value_types.append(
"ParticleIndexTriplet")
2117 ParticleIndexQuads=list
2118 _plural_types.append(
"ParticleIndexQuads")
2119 _value_types.append(
"ParticleIndexQuad")
2122 _object_types.append(
"SingletonPredicate")
2125 def _object_cast_to_SingletonPredicate(o):
2126 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
2127 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
2129 _object_types.append(
"PairPredicate")
2132 def _object_cast_to_PairPredicate(o):
2133 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
2134 return _IMP_kernel._object_cast_to_PairPredicate(o)
2136 _object_types.append(
"TripletPredicate")
2139 def _object_cast_to_TripletPredicate(o):
2140 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
2141 return _IMP_kernel._object_cast_to_TripletPredicate(o)
2143 _object_types.append(
"QuadPredicate")
2146 def _object_cast_to_QuadPredicate(o):
2147 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
2148 return _IMP_kernel._object_cast_to_QuadPredicate(o)
2150 _object_types.append(
"SaveToConfigurationSetOptimizerState")
2153 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
2154 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
2155 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
2157 EvaluationStates=list
2158 _plural_types.append(
"EvaluationStates")
2159 _value_types.append(
"EvaluationState")
2162 ScoreAccumulators=list
2163 _plural_types.append(
"ScoreAccumulators")
2164 _value_types.append(
"ScoreAccumulator")
2167 ParticleIndexes=list
2168 _plural_types.append(
"ParticleIndexes")
2169 _value_types.append(
"ParticleIndex")
2173 _plural_types.append(
"FloatIndexes")
2174 _value_types.append(
"FloatIndex")
2178 _plural_types.append(
"FloatKeys")
2179 _value_types.append(
"FloatKey")
2183 _plural_types.append(
"FloatsKeys")
2184 _value_types.append(
"FloatsKey")
2188 _plural_types.append(
"IntKeys")
2189 _value_types.append(
"IntKey")
2193 _plural_types.append(
"IntsKeys")
2194 _value_types.append(
"IntsKey")
2198 _plural_types.append(
"StringKeys")
2199 _value_types.append(
"StringKey")
2202 ParticleIndexKeys=list
2203 _plural_types.append(
"ParticleIndexKeys")
2204 _value_types.append(
"ParticleIndexKey")
2207 ParticleIndexesKeys=list
2208 _plural_types.append(
"ParticleIndexesKeys")
2209 _value_types.append(
"ParticleIndexesKey")
2213 _plural_types.append(
"ObjectKeys")
2214 _value_types.append(
"ObjectKey")
2218 _plural_types.append(
"ModelKeys")
2219 _value_types.append(
"ModelKey")
2223 _plural_types.append(
"TriggerKeys")
2224 _value_types.append(
"TriggerKey")
2227 SparseFloatKeys=list
2228 _plural_types.append(
"SparseFloatKeys")
2229 _value_types.append(
"SparseFloatKey")
2233 _plural_types.append(
"SparseIntKeys")
2234 _value_types.append(
"SparseIntKey")
2237 SparseStringKeys=list
2238 _plural_types.append(
"SparseStringKeys")
2239 _value_types.append(
"SparseStringKey")
2242 SparseParticleIndexKeys=list
2243 _plural_types.append(
"SparseParticleIndexKeys")
2244 _value_types.append(
"SparseParticleIndexKey")
2248 _plural_types.append(
"Vector3DKeys")
2249 _value_types.append(
"Vector3DKey")
2253 _plural_types.append(
"Vector4DKeys")
2254 _value_types.append(
"Vector4DKey")
2257 Vector3DDerivKeys=list
2258 _plural_types.append(
"Vector3DDerivKeys")
2259 _value_types.append(
"Vector3DDerivKey")
2262 Vector4DDerivKeys=list
2263 _plural_types.append(
"Vector4DDerivKeys")
2264 _value_types.append(
"Vector4DDerivKey")
2267 _raii_types.append(
"ScopedSetFloatAttribute")
2270 _object_types.append(
"ScoringFunction")
2273 def _object_cast_to_ScoringFunction(o):
2274 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
2275 return _IMP_kernel._object_cast_to_ScoringFunction(o)
2277 _object_types.append(
"ModelObject")
2280 def _object_cast_to_ModelObject(o):
2281 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
2282 return _IMP_kernel._object_cast_to_ModelObject(o)
2284 _object_types.append(
"_RestraintsScoringFunction")
2287 def _object_cast_to__RestraintsScoringFunction(o):
2288 r"""_object_cast_to__RestraintsScoringFunction(Object o) -> _RestraintsScoringFunction"""
2289 return _IMP_kernel._object_cast_to__RestraintsScoringFunction(o)
2291 def _TrivialDecorators(l=[]):
2292 return [_TrivialDecorator(x)
for x
in l]
2293 _plural_types.append(
"_TrivialDecorators")
2296 _value_types.append(
"_TrivialDecorator")
2299 def _TrivialDerivedDecorators(l=[]):
2300 return [_TrivialDerivedDecorator(x)
for x
in l]
2301 _plural_types.append(
"_TrivialDerivedDecorators")
2304 _value_types.append(
"_TrivialDerivedDecorator")
2307 def _TrivialTraitsDecorators(l=[]):
2308 return [_TrivialTraitsDecorator(x)
for x
in l]
2309 _plural_types.append(
"_TrivialTraitsDecorators")
2312 _value_types.append(
"_TrivialTraitsDecorator")
2315 _object_types.append(
"_ConstRestraint")
2318 def _object_cast_to__ConstRestraint(o):
2319 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
2320 return _IMP_kernel._object_cast_to__ConstRestraint(o)
2322 _object_types.append(
"_ConstOptimizer")
2325 def _object_cast_to__ConstOptimizer(o):
2326 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
2327 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
2329 _object_types.append(
"_ConstSingletonScore")
2332 def _object_cast_to__ConstSingletonScore(o):
2333 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
2334 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
2336 _object_types.append(
"_ConstPairScore")
2339 def _object_cast_to__ConstPairScore(o):
2340 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
2341 return _IMP_kernel._object_cast_to__ConstPairScore(o)
2343 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
2345 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2346 __repr__ = _swig_repr
2349 r"""__init__(DependencyGraph self) -> DependencyGraph"""
2350 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
2352 def get_graph(self):
2353 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
2354 return _IMP_kernel.DependencyGraph_get_graph(self)
2357 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
2358 return _IMP_kernel.DependencyGraph_get_vertices(self)
2360 def get_vertex_name(self, i):
2361 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
2362 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
2364 def get_in_neighbors(self, v):
2365 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"""
2366 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
2368 def get_out_neighbors(self, v):
2369 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"""
2370 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
2373 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
2374 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
2376 def get_graphviz_string(self):
2377 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
2378 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
2380 def add_edge(self, v0, v1):
2381 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)"""
2382 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
2384 def add_vertex(self, l):
2385 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
2386 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
2388 def remove_vertex(self, l):
2389 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
2390 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
2391 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
2394 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
2396 _value_types.append(
"DependencyGraph")
2399 r"""Proxy of C++ IMP::Key< 0 > class."""
2401 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2403 def __init__(self, *args):
2405 __init__(FloatKey self) -> FloatKey
2406 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
2407 __init__(FloatKey self, unsigned int i) -> FloatKey
2409 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
2413 r"""add_key(std::string sc) -> unsigned int"""
2414 return _IMP_kernel.FloatKey_add_key(sc)
2417 def get_key_exists(sc):
2418 r"""get_key_exists(std::string sc) -> bool"""
2419 return _IMP_kernel.FloatKey_get_key_exists(sc)
2421 def get_string(self):
2422 r"""get_string(FloatKey self) -> std::string const"""
2423 return _IMP_kernel.FloatKey_get_string(self)
2425 def __cmp__(self, o):
2426 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
2427 return _IMP_kernel.FloatKey___cmp__(self, o)
2429 def __eq__(self, o):
2430 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
2431 return _IMP_kernel.FloatKey___eq__(self, o)
2433 def __ne__(self, o):
2434 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
2435 return _IMP_kernel.FloatKey___ne__(self, o)
2437 def __lt__(self, o):
2438 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
2439 return _IMP_kernel.FloatKey___lt__(self, o)
2441 def __gt__(self, o):
2442 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
2443 return _IMP_kernel.FloatKey___gt__(self, o)
2445 def __ge__(self, o):
2446 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
2447 return _IMP_kernel.FloatKey___ge__(self, o)
2449 def __le__(self, o):
2450 r"""__le__(FloatKey self, FloatKey o) -> bool"""
2451 return _IMP_kernel.FloatKey___le__(self, o)
2454 r"""__hash__(FloatKey self) -> std::size_t"""
2455 return _IMP_kernel.FloatKey___hash__(self)
2457 def show(self, *args):
2458 r"""show(FloatKey self, _ostream out=std::cout)"""
2459 return _IMP_kernel.FloatKey_show(self, *args)
2462 def add_alias(old_key, new_name):
2463 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
2464 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
2467 def get_number_of_keys():
2468 r"""get_number_of_keys() -> unsigned int"""
2469 return _IMP_kernel.FloatKey_get_number_of_keys()
2472 r"""get_index(FloatKey self) -> unsigned int"""
2473 return _IMP_kernel.FloatKey_get_index(self)
2477 r"""show_all(_ostream out)"""
2478 return _IMP_kernel.FloatKey_show_all(out)
2481 def get_all_strings():
2482 r"""get_all_strings() -> IMP::Vector< std::string >"""
2483 return _IMP_kernel.FloatKey_get_all_strings()
2486 def get_number_unique():
2487 r"""get_number_unique() -> unsigned int"""
2488 return _IMP_kernel.FloatKey_get_number_unique()
2491 r"""__str__(FloatKey self) -> std::string"""
2492 return _IMP_kernel.FloatKey___str__(self)
2495 r"""__repr__(FloatKey self) -> std::string"""
2496 return _IMP_kernel.FloatKey___repr__(self)
2497 __swig_destroy__ = _IMP_kernel.delete_FloatKey
2500 _IMP_kernel.FloatKey_swigregister(FloatKey)
2502 r"""Proxy of C++ IMP::Key< 1 > class."""
2504 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2506 def __init__(self, *args):
2508 __init__(IntKey self) -> IntKey
2509 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
2510 __init__(IntKey self, unsigned int i) -> IntKey
2512 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
2516 r"""add_key(std::string sc) -> unsigned int"""
2517 return _IMP_kernel.IntKey_add_key(sc)
2520 def get_key_exists(sc):
2521 r"""get_key_exists(std::string sc) -> bool"""
2522 return _IMP_kernel.IntKey_get_key_exists(sc)
2524 def get_string(self):
2525 r"""get_string(IntKey self) -> std::string const"""
2526 return _IMP_kernel.IntKey_get_string(self)
2528 def __cmp__(self, o):
2529 r"""__cmp__(IntKey self, IntKey o) -> int"""
2530 return _IMP_kernel.IntKey___cmp__(self, o)
2532 def __eq__(self, o):
2533 r"""__eq__(IntKey self, IntKey o) -> bool"""
2534 return _IMP_kernel.IntKey___eq__(self, o)
2536 def __ne__(self, o):
2537 r"""__ne__(IntKey self, IntKey o) -> bool"""
2538 return _IMP_kernel.IntKey___ne__(self, o)
2540 def __lt__(self, o):
2541 r"""__lt__(IntKey self, IntKey o) -> bool"""
2542 return _IMP_kernel.IntKey___lt__(self, o)
2544 def __gt__(self, o):
2545 r"""__gt__(IntKey self, IntKey o) -> bool"""
2546 return _IMP_kernel.IntKey___gt__(self, o)
2548 def __ge__(self, o):
2549 r"""__ge__(IntKey self, IntKey o) -> bool"""
2550 return _IMP_kernel.IntKey___ge__(self, o)
2552 def __le__(self, o):
2553 r"""__le__(IntKey self, IntKey o) -> bool"""
2554 return _IMP_kernel.IntKey___le__(self, o)
2557 r"""__hash__(IntKey self) -> std::size_t"""
2558 return _IMP_kernel.IntKey___hash__(self)
2560 def show(self, *args):
2561 r"""show(IntKey self, _ostream out=std::cout)"""
2562 return _IMP_kernel.IntKey_show(self, *args)
2565 def add_alias(old_key, new_name):
2566 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2567 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2570 def get_number_of_keys():
2571 r"""get_number_of_keys() -> unsigned int"""
2572 return _IMP_kernel.IntKey_get_number_of_keys()
2575 r"""get_index(IntKey self) -> unsigned int"""
2576 return _IMP_kernel.IntKey_get_index(self)
2580 r"""show_all(_ostream out)"""
2581 return _IMP_kernel.IntKey_show_all(out)
2584 def get_all_strings():
2585 r"""get_all_strings() -> IMP::Vector< std::string >"""
2586 return _IMP_kernel.IntKey_get_all_strings()
2589 def get_number_unique():
2590 r"""get_number_unique() -> unsigned int"""
2591 return _IMP_kernel.IntKey_get_number_unique()
2594 r"""__str__(IntKey self) -> std::string"""
2595 return _IMP_kernel.IntKey___str__(self)
2598 r"""__repr__(IntKey self) -> std::string"""
2599 return _IMP_kernel.IntKey___repr__(self)
2600 __swig_destroy__ = _IMP_kernel.delete_IntKey
2603 _IMP_kernel.IntKey_swigregister(IntKey)
2605 r"""Proxy of C++ IMP::Key< 2 > class."""
2607 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2609 def __init__(self, *args):
2611 __init__(StringKey self) -> StringKey
2612 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2613 __init__(StringKey self, unsigned int i) -> StringKey
2615 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2619 r"""add_key(std::string sc) -> unsigned int"""
2620 return _IMP_kernel.StringKey_add_key(sc)
2623 def get_key_exists(sc):
2624 r"""get_key_exists(std::string sc) -> bool"""
2625 return _IMP_kernel.StringKey_get_key_exists(sc)
2627 def get_string(self):
2628 r"""get_string(StringKey self) -> std::string const"""
2629 return _IMP_kernel.StringKey_get_string(self)
2631 def __cmp__(self, o):
2632 r"""__cmp__(StringKey self, StringKey o) -> int"""
2633 return _IMP_kernel.StringKey___cmp__(self, o)
2635 def __eq__(self, o):
2636 r"""__eq__(StringKey self, StringKey o) -> bool"""
2637 return _IMP_kernel.StringKey___eq__(self, o)
2639 def __ne__(self, o):
2640 r"""__ne__(StringKey self, StringKey o) -> bool"""
2641 return _IMP_kernel.StringKey___ne__(self, o)
2643 def __lt__(self, o):
2644 r"""__lt__(StringKey self, StringKey o) -> bool"""
2645 return _IMP_kernel.StringKey___lt__(self, o)
2647 def __gt__(self, o):
2648 r"""__gt__(StringKey self, StringKey o) -> bool"""
2649 return _IMP_kernel.StringKey___gt__(self, o)
2651 def __ge__(self, o):
2652 r"""__ge__(StringKey self, StringKey o) -> bool"""
2653 return _IMP_kernel.StringKey___ge__(self, o)
2655 def __le__(self, o):
2656 r"""__le__(StringKey self, StringKey o) -> bool"""
2657 return _IMP_kernel.StringKey___le__(self, o)
2660 r"""__hash__(StringKey self) -> std::size_t"""
2661 return _IMP_kernel.StringKey___hash__(self)
2663 def show(self, *args):
2664 r"""show(StringKey self, _ostream out=std::cout)"""
2665 return _IMP_kernel.StringKey_show(self, *args)
2668 def add_alias(old_key, new_name):
2669 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2670 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2673 def get_number_of_keys():
2674 r"""get_number_of_keys() -> unsigned int"""
2675 return _IMP_kernel.StringKey_get_number_of_keys()
2678 r"""get_index(StringKey self) -> unsigned int"""
2679 return _IMP_kernel.StringKey_get_index(self)
2683 r"""show_all(_ostream out)"""
2684 return _IMP_kernel.StringKey_show_all(out)
2687 def get_all_strings():
2688 r"""get_all_strings() -> IMP::Vector< std::string >"""
2689 return _IMP_kernel.StringKey_get_all_strings()
2692 def get_number_unique():
2693 r"""get_number_unique() -> unsigned int"""
2694 return _IMP_kernel.StringKey_get_number_unique()
2697 r"""__str__(StringKey self) -> std::string"""
2698 return _IMP_kernel.StringKey___str__(self)
2701 r"""__repr__(StringKey self) -> std::string"""
2702 return _IMP_kernel.StringKey___repr__(self)
2703 __swig_destroy__ = _IMP_kernel.delete_StringKey
2706 _IMP_kernel.StringKey_swigregister(StringKey)
2708 r"""Proxy of C++ IMP::Key< 3 > class."""
2710 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2712 def __init__(self, *args):
2714 __init__(ParticleIndexKey self) -> ParticleIndexKey
2715 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2716 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2718 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2722 r"""add_key(std::string sc) -> unsigned int"""
2723 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2726 def get_key_exists(sc):
2727 r"""get_key_exists(std::string sc) -> bool"""
2728 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2730 def get_string(self):
2731 r"""get_string(ParticleIndexKey self) -> std::string const"""
2732 return _IMP_kernel.ParticleIndexKey_get_string(self)
2734 def __cmp__(self, o):
2735 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2736 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2738 def __eq__(self, o):
2739 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2740 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2742 def __ne__(self, o):
2743 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2744 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2746 def __lt__(self, o):
2747 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2748 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2750 def __gt__(self, o):
2751 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2752 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2754 def __ge__(self, o):
2755 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2756 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2758 def __le__(self, o):
2759 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2760 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2763 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2764 return _IMP_kernel.ParticleIndexKey___hash__(self)
2766 def show(self, *args):
2767 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2768 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2771 def add_alias(old_key, new_name):
2772 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2773 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2776 def get_number_of_keys():
2777 r"""get_number_of_keys() -> unsigned int"""
2778 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2781 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2782 return _IMP_kernel.ParticleIndexKey_get_index(self)
2786 r"""show_all(_ostream out)"""
2787 return _IMP_kernel.ParticleIndexKey_show_all(out)
2790 def get_all_strings():
2791 r"""get_all_strings() -> IMP::Vector< std::string >"""
2792 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2795 def get_number_unique():
2796 r"""get_number_unique() -> unsigned int"""
2797 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2800 r"""__str__(ParticleIndexKey self) -> std::string"""
2801 return _IMP_kernel.ParticleIndexKey___str__(self)
2804 r"""__repr__(ParticleIndexKey self) -> std::string"""
2805 return _IMP_kernel.ParticleIndexKey___repr__(self)
2806 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2809 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2811 r"""Proxy of C++ IMP::Key< 4 > class."""
2813 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2815 def __init__(self, *args):
2817 __init__(ObjectKey self) -> ObjectKey
2818 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2819 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2821 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2825 r"""add_key(std::string sc) -> unsigned int"""
2826 return _IMP_kernel.ObjectKey_add_key(sc)
2829 def get_key_exists(sc):
2830 r"""get_key_exists(std::string sc) -> bool"""
2831 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2833 def get_string(self):
2834 r"""get_string(ObjectKey self) -> std::string const"""
2835 return _IMP_kernel.ObjectKey_get_string(self)
2837 def __cmp__(self, o):
2838 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2839 return _IMP_kernel.ObjectKey___cmp__(self, o)
2841 def __eq__(self, o):
2842 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2843 return _IMP_kernel.ObjectKey___eq__(self, o)
2845 def __ne__(self, o):
2846 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2847 return _IMP_kernel.ObjectKey___ne__(self, o)
2849 def __lt__(self, o):
2850 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2851 return _IMP_kernel.ObjectKey___lt__(self, o)
2853 def __gt__(self, o):
2854 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2855 return _IMP_kernel.ObjectKey___gt__(self, o)
2857 def __ge__(self, o):
2858 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2859 return _IMP_kernel.ObjectKey___ge__(self, o)
2861 def __le__(self, o):
2862 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2863 return _IMP_kernel.ObjectKey___le__(self, o)
2866 r"""__hash__(ObjectKey self) -> std::size_t"""
2867 return _IMP_kernel.ObjectKey___hash__(self)
2869 def show(self, *args):
2870 r"""show(ObjectKey self, _ostream out=std::cout)"""
2871 return _IMP_kernel.ObjectKey_show(self, *args)
2874 def add_alias(old_key, new_name):
2875 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2876 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2879 def get_number_of_keys():
2880 r"""get_number_of_keys() -> unsigned int"""
2881 return _IMP_kernel.ObjectKey_get_number_of_keys()
2884 r"""get_index(ObjectKey self) -> unsigned int"""
2885 return _IMP_kernel.ObjectKey_get_index(self)
2889 r"""show_all(_ostream out)"""
2890 return _IMP_kernel.ObjectKey_show_all(out)
2893 def get_all_strings():
2894 r"""get_all_strings() -> IMP::Vector< std::string >"""
2895 return _IMP_kernel.ObjectKey_get_all_strings()
2898 def get_number_unique():
2899 r"""get_number_unique() -> unsigned int"""
2900 return _IMP_kernel.ObjectKey_get_number_unique()
2903 r"""__str__(ObjectKey self) -> std::string"""
2904 return _IMP_kernel.ObjectKey___str__(self)
2907 r"""__repr__(ObjectKey self) -> std::string"""
2908 return _IMP_kernel.ObjectKey___repr__(self)
2909 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2912 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2914 r"""Proxy of C++ IMP::Key< 5 > class."""
2916 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2918 def __init__(self, *args):
2920 __init__(IntsKey self) -> IntsKey
2921 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2922 __init__(IntsKey self, unsigned int i) -> IntsKey
2924 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2928 r"""add_key(std::string sc) -> unsigned int"""
2929 return _IMP_kernel.IntsKey_add_key(sc)
2932 def get_key_exists(sc):
2933 r"""get_key_exists(std::string sc) -> bool"""
2934 return _IMP_kernel.IntsKey_get_key_exists(sc)
2936 def get_string(self):
2937 r"""get_string(IntsKey self) -> std::string const"""
2938 return _IMP_kernel.IntsKey_get_string(self)
2940 def __cmp__(self, o):
2941 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2942 return _IMP_kernel.IntsKey___cmp__(self, o)
2944 def __eq__(self, o):
2945 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2946 return _IMP_kernel.IntsKey___eq__(self, o)
2948 def __ne__(self, o):
2949 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2950 return _IMP_kernel.IntsKey___ne__(self, o)
2952 def __lt__(self, o):
2953 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2954 return _IMP_kernel.IntsKey___lt__(self, o)
2956 def __gt__(self, o):
2957 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2958 return _IMP_kernel.IntsKey___gt__(self, o)
2960 def __ge__(self, o):
2961 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2962 return _IMP_kernel.IntsKey___ge__(self, o)
2964 def __le__(self, o):
2965 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2966 return _IMP_kernel.IntsKey___le__(self, o)
2969 r"""__hash__(IntsKey self) -> std::size_t"""
2970 return _IMP_kernel.IntsKey___hash__(self)
2972 def show(self, *args):
2973 r"""show(IntsKey self, _ostream out=std::cout)"""
2974 return _IMP_kernel.IntsKey_show(self, *args)
2977 def add_alias(old_key, new_name):
2978 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2979 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2982 def get_number_of_keys():
2983 r"""get_number_of_keys() -> unsigned int"""
2984 return _IMP_kernel.IntsKey_get_number_of_keys()
2987 r"""get_index(IntsKey self) -> unsigned int"""
2988 return _IMP_kernel.IntsKey_get_index(self)
2992 r"""show_all(_ostream out)"""
2993 return _IMP_kernel.IntsKey_show_all(out)
2996 def get_all_strings():
2997 r"""get_all_strings() -> IMP::Vector< std::string >"""
2998 return _IMP_kernel.IntsKey_get_all_strings()
3001 def get_number_unique():
3002 r"""get_number_unique() -> unsigned int"""
3003 return _IMP_kernel.IntsKey_get_number_unique()
3006 r"""__str__(IntsKey self) -> std::string"""
3007 return _IMP_kernel.IntsKey___str__(self)
3010 r"""__repr__(IntsKey self) -> std::string"""
3011 return _IMP_kernel.IntsKey___repr__(self)
3012 __swig_destroy__ = _IMP_kernel.delete_IntsKey
3015 _IMP_kernel.IntsKey_swigregister(IntsKey)
3017 r"""Proxy of C++ IMP::Key< 6 > class."""
3019 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3021 def __init__(self, *args):
3023 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
3024 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
3025 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
3027 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
3031 r"""add_key(std::string sc) -> unsigned int"""
3032 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
3035 def get_key_exists(sc):
3036 r"""get_key_exists(std::string sc) -> bool"""
3037 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
3039 def get_string(self):
3040 r"""get_string(ParticleIndexesKey self) -> std::string const"""
3041 return _IMP_kernel.ParticleIndexesKey_get_string(self)
3043 def __cmp__(self, o):
3044 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
3045 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
3047 def __eq__(self, o):
3048 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3049 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
3051 def __ne__(self, o):
3052 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3053 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
3055 def __lt__(self, o):
3056 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3057 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
3059 def __gt__(self, o):
3060 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3061 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
3063 def __ge__(self, o):
3064 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3065 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
3067 def __le__(self, o):
3068 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
3069 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
3072 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
3073 return _IMP_kernel.ParticleIndexesKey___hash__(self)
3075 def show(self, *args):
3076 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
3077 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
3080 def add_alias(old_key, new_name):
3081 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
3082 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
3085 def get_number_of_keys():
3086 r"""get_number_of_keys() -> unsigned int"""
3087 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
3090 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
3091 return _IMP_kernel.ParticleIndexesKey_get_index(self)
3095 r"""show_all(_ostream out)"""
3096 return _IMP_kernel.ParticleIndexesKey_show_all(out)
3099 def get_all_strings():
3100 r"""get_all_strings() -> IMP::Vector< std::string >"""
3101 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
3104 def get_number_unique():
3105 r"""get_number_unique() -> unsigned int"""
3106 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
3109 r"""__str__(ParticleIndexesKey self) -> std::string"""
3110 return _IMP_kernel.ParticleIndexesKey___str__(self)
3113 r"""__repr__(ParticleIndexesKey self) -> std::string"""
3114 return _IMP_kernel.ParticleIndexesKey___repr__(self)
3115 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
3118 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
3120 r"""Proxy of C++ IMP::Key< 8 > class."""
3122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3124 def __init__(self, *args):
3126 __init__(ModelKey self) -> ModelKey
3127 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
3128 __init__(ModelKey self, unsigned int i) -> ModelKey
3130 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
3134 r"""add_key(std::string sc) -> unsigned int"""
3135 return _IMP_kernel.ModelKey_add_key(sc)
3138 def get_key_exists(sc):
3139 r"""get_key_exists(std::string sc) -> bool"""
3140 return _IMP_kernel.ModelKey_get_key_exists(sc)
3142 def get_string(self):
3143 r"""get_string(ModelKey self) -> std::string const"""
3144 return _IMP_kernel.ModelKey_get_string(self)
3146 def __cmp__(self, o):
3147 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
3148 return _IMP_kernel.ModelKey___cmp__(self, o)
3150 def __eq__(self, o):
3151 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
3152 return _IMP_kernel.ModelKey___eq__(self, o)
3154 def __ne__(self, o):
3155 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
3156 return _IMP_kernel.ModelKey___ne__(self, o)
3158 def __lt__(self, o):
3159 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
3160 return _IMP_kernel.ModelKey___lt__(self, o)
3162 def __gt__(self, o):
3163 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
3164 return _IMP_kernel.ModelKey___gt__(self, o)
3166 def __ge__(self, o):
3167 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
3168 return _IMP_kernel.ModelKey___ge__(self, o)
3170 def __le__(self, o):
3171 r"""__le__(ModelKey self, ModelKey o) -> bool"""
3172 return _IMP_kernel.ModelKey___le__(self, o)
3175 r"""__hash__(ModelKey self) -> std::size_t"""
3176 return _IMP_kernel.ModelKey___hash__(self)
3178 def show(self, *args):
3179 r"""show(ModelKey self, _ostream out=std::cout)"""
3180 return _IMP_kernel.ModelKey_show(self, *args)
3183 def add_alias(old_key, new_name):
3184 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
3185 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
3188 def get_number_of_keys():
3189 r"""get_number_of_keys() -> unsigned int"""
3190 return _IMP_kernel.ModelKey_get_number_of_keys()
3193 r"""get_index(ModelKey self) -> unsigned int"""
3194 return _IMP_kernel.ModelKey_get_index(self)
3198 r"""show_all(_ostream out)"""
3199 return _IMP_kernel.ModelKey_show_all(out)
3202 def get_all_strings():
3203 r"""get_all_strings() -> IMP::Vector< std::string >"""
3204 return _IMP_kernel.ModelKey_get_all_strings()
3207 def get_number_unique():
3208 r"""get_number_unique() -> unsigned int"""
3209 return _IMP_kernel.ModelKey_get_number_unique()
3212 r"""__str__(ModelKey self) -> std::string"""
3213 return _IMP_kernel.ModelKey___str__(self)
3216 r"""__repr__(ModelKey self) -> std::string"""
3217 return _IMP_kernel.ModelKey___repr__(self)
3218 __swig_destroy__ = _IMP_kernel.delete_ModelKey
3221 _IMP_kernel.ModelKey_swigregister(ModelKey)
3223 r"""Proxy of C++ IMP::Key< 11 > class."""
3225 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3227 def __init__(self, *args):
3229 __init__(TriggerKey self) -> TriggerKey
3230 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
3231 __init__(TriggerKey self, unsigned int i) -> TriggerKey
3233 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
3237 r"""add_key(std::string sc) -> unsigned int"""
3238 return _IMP_kernel.TriggerKey_add_key(sc)
3241 def get_key_exists(sc):
3242 r"""get_key_exists(std::string sc) -> bool"""
3243 return _IMP_kernel.TriggerKey_get_key_exists(sc)
3245 def get_string(self):
3246 r"""get_string(TriggerKey self) -> std::string const"""
3247 return _IMP_kernel.TriggerKey_get_string(self)
3249 def __cmp__(self, o):
3250 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
3251 return _IMP_kernel.TriggerKey___cmp__(self, o)
3253 def __eq__(self, o):
3254 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
3255 return _IMP_kernel.TriggerKey___eq__(self, o)
3257 def __ne__(self, o):
3258 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
3259 return _IMP_kernel.TriggerKey___ne__(self, o)
3261 def __lt__(self, o):
3262 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
3263 return _IMP_kernel.TriggerKey___lt__(self, o)
3265 def __gt__(self, o):
3266 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
3267 return _IMP_kernel.TriggerKey___gt__(self, o)
3269 def __ge__(self, o):
3270 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
3271 return _IMP_kernel.TriggerKey___ge__(self, o)
3273 def __le__(self, o):
3274 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
3275 return _IMP_kernel.TriggerKey___le__(self, o)
3278 r"""__hash__(TriggerKey self) -> std::size_t"""
3279 return _IMP_kernel.TriggerKey___hash__(self)
3281 def show(self, *args):
3282 r"""show(TriggerKey self, _ostream out=std::cout)"""
3283 return _IMP_kernel.TriggerKey_show(self, *args)
3286 def add_alias(old_key, new_name):
3287 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
3288 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
3291 def get_number_of_keys():
3292 r"""get_number_of_keys() -> unsigned int"""
3293 return _IMP_kernel.TriggerKey_get_number_of_keys()
3296 r"""get_index(TriggerKey self) -> unsigned int"""
3297 return _IMP_kernel.TriggerKey_get_index(self)
3301 r"""show_all(_ostream out)"""
3302 return _IMP_kernel.TriggerKey_show_all(out)
3305 def get_all_strings():
3306 r"""get_all_strings() -> IMP::Vector< std::string >"""
3307 return _IMP_kernel.TriggerKey_get_all_strings()
3310 def get_number_unique():
3311 r"""get_number_unique() -> unsigned int"""
3312 return _IMP_kernel.TriggerKey_get_number_unique()
3315 r"""__str__(TriggerKey self) -> std::string"""
3316 return _IMP_kernel.TriggerKey___str__(self)
3319 r"""__repr__(TriggerKey self) -> std::string"""
3320 return _IMP_kernel.TriggerKey___repr__(self)
3321 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
3324 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
3326 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
3328 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3330 def __init__(self, *args):
3332 __init__(ParticleIndex self, int i) -> ParticleIndex
3333 __init__(ParticleIndex self) -> ParticleIndex
3335 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
3338 r"""get_index(ParticleIndex self) -> int"""
3339 return _IMP_kernel.ParticleIndex_get_index(self)
3341 def __cmp__(self, o):
3342 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
3343 return _IMP_kernel.ParticleIndex___cmp__(self, o)
3345 def __eq__(self, o):
3346 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
3347 return _IMP_kernel.ParticleIndex___eq__(self, o)
3349 def __ne__(self, o):
3350 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
3351 return _IMP_kernel.ParticleIndex___ne__(self, o)
3353 def __lt__(self, o):
3354 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
3355 return _IMP_kernel.ParticleIndex___lt__(self, o)
3357 def __gt__(self, o):
3358 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
3359 return _IMP_kernel.ParticleIndex___gt__(self, o)
3361 def __ge__(self, o):
3362 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
3363 return _IMP_kernel.ParticleIndex___ge__(self, o)
3365 def __le__(self, o):
3366 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
3367 return _IMP_kernel.ParticleIndex___le__(self, o)
3369 def show(self, *args):
3370 r"""show(ParticleIndex self, _ostream out=std::cout)"""
3371 return _IMP_kernel.ParticleIndex_show(self, *args)
3374 r"""__hash__(ParticleIndex self) -> std::size_t"""
3375 return _IMP_kernel.ParticleIndex___hash__(self)
3378 r"""__str__(ParticleIndex self) -> std::string"""
3379 return _IMP_kernel.ParticleIndex___str__(self)
3382 r"""__repr__(ParticleIndex self) -> std::string"""
3383 return _IMP_kernel.ParticleIndex___repr__(self)
3384 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
3387 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
3389 r"""Proxy of C++ IMP::Key< 10 > class."""
3391 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3393 def __init__(self, *args):
3395 __init__(FloatsKey self) -> FloatsKey
3396 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
3397 __init__(FloatsKey self, unsigned int i) -> FloatsKey
3399 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
3403 r"""add_key(std::string sc) -> unsigned int"""
3404 return _IMP_kernel.FloatsKey_add_key(sc)
3407 def get_key_exists(sc):
3408 r"""get_key_exists(std::string sc) -> bool"""
3409 return _IMP_kernel.FloatsKey_get_key_exists(sc)
3411 def get_string(self):
3412 r"""get_string(FloatsKey self) -> std::string const"""
3413 return _IMP_kernel.FloatsKey_get_string(self)
3415 def __cmp__(self, o):
3416 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
3417 return _IMP_kernel.FloatsKey___cmp__(self, o)
3419 def __eq__(self, o):
3420 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
3421 return _IMP_kernel.FloatsKey___eq__(self, o)
3423 def __ne__(self, o):
3424 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
3425 return _IMP_kernel.FloatsKey___ne__(self, o)
3427 def __lt__(self, o):
3428 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
3429 return _IMP_kernel.FloatsKey___lt__(self, o)
3431 def __gt__(self, o):
3432 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
3433 return _IMP_kernel.FloatsKey___gt__(self, o)
3435 def __ge__(self, o):
3436 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
3437 return _IMP_kernel.FloatsKey___ge__(self, o)
3439 def __le__(self, o):
3440 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
3441 return _IMP_kernel.FloatsKey___le__(self, o)
3444 r"""__hash__(FloatsKey self) -> std::size_t"""
3445 return _IMP_kernel.FloatsKey___hash__(self)
3447 def show(self, *args):
3448 r"""show(FloatsKey self, _ostream out=std::cout)"""
3449 return _IMP_kernel.FloatsKey_show(self, *args)
3452 def add_alias(old_key, new_name):
3453 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
3454 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
3457 def get_number_of_keys():
3458 r"""get_number_of_keys() -> unsigned int"""
3459 return _IMP_kernel.FloatsKey_get_number_of_keys()
3462 r"""get_index(FloatsKey self) -> unsigned int"""
3463 return _IMP_kernel.FloatsKey_get_index(self)
3467 r"""show_all(_ostream out)"""
3468 return _IMP_kernel.FloatsKey_show_all(out)
3471 def get_all_strings():
3472 r"""get_all_strings() -> IMP::Vector< std::string >"""
3473 return _IMP_kernel.FloatsKey_get_all_strings()
3476 def get_number_unique():
3477 r"""get_number_unique() -> unsigned int"""
3478 return _IMP_kernel.FloatsKey_get_number_unique()
3481 r"""__str__(FloatsKey self) -> std::string"""
3482 return _IMP_kernel.FloatsKey___str__(self)
3485 r"""__repr__(FloatsKey self) -> std::string"""
3486 return _IMP_kernel.FloatsKey___repr__(self)
3487 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
3490 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
3492 r"""Proxy of C++ IMP::Key< 12 > class."""
3494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3496 def __init__(self, *args):
3498 __init__(SparseStringKey self) -> SparseStringKey
3499 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
3500 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
3502 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
3506 r"""add_key(std::string sc) -> unsigned int"""
3507 return _IMP_kernel.SparseStringKey_add_key(sc)
3510 def get_key_exists(sc):
3511 r"""get_key_exists(std::string sc) -> bool"""
3512 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
3514 def get_string(self):
3515 r"""get_string(SparseStringKey self) -> std::string const"""
3516 return _IMP_kernel.SparseStringKey_get_string(self)
3518 def __cmp__(self, o):
3519 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
3520 return _IMP_kernel.SparseStringKey___cmp__(self, o)
3522 def __eq__(self, o):
3523 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
3524 return _IMP_kernel.SparseStringKey___eq__(self, o)
3526 def __ne__(self, o):
3527 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
3528 return _IMP_kernel.SparseStringKey___ne__(self, o)
3530 def __lt__(self, o):
3531 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3532 return _IMP_kernel.SparseStringKey___lt__(self, o)
3534 def __gt__(self, o):
3535 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3536 return _IMP_kernel.SparseStringKey___gt__(self, o)
3538 def __ge__(self, o):
3539 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3540 return _IMP_kernel.SparseStringKey___ge__(self, o)
3542 def __le__(self, o):
3543 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3544 return _IMP_kernel.SparseStringKey___le__(self, o)
3547 r"""__hash__(SparseStringKey self) -> std::size_t"""
3548 return _IMP_kernel.SparseStringKey___hash__(self)
3550 def show(self, *args):
3551 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3552 return _IMP_kernel.SparseStringKey_show(self, *args)
3555 def add_alias(old_key, new_name):
3556 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3557 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3560 def get_number_of_keys():
3561 r"""get_number_of_keys() -> unsigned int"""
3562 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3565 r"""get_index(SparseStringKey self) -> unsigned int"""
3566 return _IMP_kernel.SparseStringKey_get_index(self)
3570 r"""show_all(_ostream out)"""
3571 return _IMP_kernel.SparseStringKey_show_all(out)
3574 def get_all_strings():
3575 r"""get_all_strings() -> IMP::Vector< std::string >"""
3576 return _IMP_kernel.SparseStringKey_get_all_strings()
3579 def get_number_unique():
3580 r"""get_number_unique() -> unsigned int"""
3581 return _IMP_kernel.SparseStringKey_get_number_unique()
3584 r"""__str__(SparseStringKey self) -> std::string"""
3585 return _IMP_kernel.SparseStringKey___str__(self)
3588 r"""__repr__(SparseStringKey self) -> std::string"""
3589 return _IMP_kernel.SparseStringKey___repr__(self)
3590 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3593 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3595 r"""Proxy of C++ IMP::Key< 13 > class."""
3597 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3599 def __init__(self, *args):
3601 __init__(SparseIntKey self) -> SparseIntKey
3602 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3603 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3605 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3609 r"""add_key(std::string sc) -> unsigned int"""
3610 return _IMP_kernel.SparseIntKey_add_key(sc)
3613 def get_key_exists(sc):
3614 r"""get_key_exists(std::string sc) -> bool"""
3615 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3617 def get_string(self):
3618 r"""get_string(SparseIntKey self) -> std::string const"""
3619 return _IMP_kernel.SparseIntKey_get_string(self)
3621 def __cmp__(self, o):
3622 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3623 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3625 def __eq__(self, o):
3626 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3627 return _IMP_kernel.SparseIntKey___eq__(self, o)
3629 def __ne__(self, o):
3630 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3631 return _IMP_kernel.SparseIntKey___ne__(self, o)
3633 def __lt__(self, o):
3634 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3635 return _IMP_kernel.SparseIntKey___lt__(self, o)
3637 def __gt__(self, o):
3638 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3639 return _IMP_kernel.SparseIntKey___gt__(self, o)
3641 def __ge__(self, o):
3642 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3643 return _IMP_kernel.SparseIntKey___ge__(self, o)
3645 def __le__(self, o):
3646 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3647 return _IMP_kernel.SparseIntKey___le__(self, o)
3650 r"""__hash__(SparseIntKey self) -> std::size_t"""
3651 return _IMP_kernel.SparseIntKey___hash__(self)
3653 def show(self, *args):
3654 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3655 return _IMP_kernel.SparseIntKey_show(self, *args)
3658 def add_alias(old_key, new_name):
3659 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3660 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3663 def get_number_of_keys():
3664 r"""get_number_of_keys() -> unsigned int"""
3665 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3668 r"""get_index(SparseIntKey self) -> unsigned int"""
3669 return _IMP_kernel.SparseIntKey_get_index(self)
3673 r"""show_all(_ostream out)"""
3674 return _IMP_kernel.SparseIntKey_show_all(out)
3677 def get_all_strings():
3678 r"""get_all_strings() -> IMP::Vector< std::string >"""
3679 return _IMP_kernel.SparseIntKey_get_all_strings()
3682 def get_number_unique():
3683 r"""get_number_unique() -> unsigned int"""
3684 return _IMP_kernel.SparseIntKey_get_number_unique()
3687 r"""__str__(SparseIntKey self) -> std::string"""
3688 return _IMP_kernel.SparseIntKey___str__(self)
3691 r"""__repr__(SparseIntKey self) -> std::string"""
3692 return _IMP_kernel.SparseIntKey___repr__(self)
3693 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3696 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3698 r"""Proxy of C++ IMP::Key< 14 > class."""
3700 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3702 def __init__(self, *args):
3704 __init__(SparseFloatKey self) -> SparseFloatKey
3705 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3706 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3708 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3712 r"""add_key(std::string sc) -> unsigned int"""
3713 return _IMP_kernel.SparseFloatKey_add_key(sc)
3716 def get_key_exists(sc):
3717 r"""get_key_exists(std::string sc) -> bool"""
3718 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3720 def get_string(self):
3721 r"""get_string(SparseFloatKey self) -> std::string const"""
3722 return _IMP_kernel.SparseFloatKey_get_string(self)
3724 def __cmp__(self, o):
3725 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3726 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3728 def __eq__(self, o):
3729 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3730 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3732 def __ne__(self, o):
3733 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3734 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3736 def __lt__(self, o):
3737 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3738 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3740 def __gt__(self, o):
3741 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3742 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3744 def __ge__(self, o):
3745 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3746 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3748 def __le__(self, o):
3749 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3750 return _IMP_kernel.SparseFloatKey___le__(self, o)
3753 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3754 return _IMP_kernel.SparseFloatKey___hash__(self)
3756 def show(self, *args):
3757 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3758 return _IMP_kernel.SparseFloatKey_show(self, *args)
3761 def add_alias(old_key, new_name):
3762 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3763 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3766 def get_number_of_keys():
3767 r"""get_number_of_keys() -> unsigned int"""
3768 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3771 r"""get_index(SparseFloatKey self) -> unsigned int"""
3772 return _IMP_kernel.SparseFloatKey_get_index(self)
3776 r"""show_all(_ostream out)"""
3777 return _IMP_kernel.SparseFloatKey_show_all(out)
3780 def get_all_strings():
3781 r"""get_all_strings() -> IMP::Vector< std::string >"""
3782 return _IMP_kernel.SparseFloatKey_get_all_strings()
3785 def get_number_unique():
3786 r"""get_number_unique() -> unsigned int"""
3787 return _IMP_kernel.SparseFloatKey_get_number_unique()
3790 r"""__str__(SparseFloatKey self) -> std::string"""
3791 return _IMP_kernel.SparseFloatKey___str__(self)
3794 r"""__repr__(SparseFloatKey self) -> std::string"""
3795 return _IMP_kernel.SparseFloatKey___repr__(self)
3796 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3799 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3801 r"""Proxy of C++ IMP::Key< 15 > class."""
3803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3805 def __init__(self, *args):
3807 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3808 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3809 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3811 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3815 r"""add_key(std::string sc) -> unsigned int"""
3816 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3819 def get_key_exists(sc):
3820 r"""get_key_exists(std::string sc) -> bool"""
3821 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3823 def get_string(self):
3824 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3825 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3827 def __cmp__(self, o):
3828 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3829 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3831 def __eq__(self, o):
3832 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3833 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3835 def __ne__(self, o):
3836 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3837 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3839 def __lt__(self, o):
3840 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3841 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3843 def __gt__(self, o):
3844 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3845 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3847 def __ge__(self, o):
3848 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3849 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3851 def __le__(self, o):
3852 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3853 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3856 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3857 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3859 def show(self, *args):
3860 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3861 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3864 def add_alias(old_key, new_name):
3865 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3866 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3869 def get_number_of_keys():
3870 r"""get_number_of_keys() -> unsigned int"""
3871 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3874 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3875 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3879 r"""show_all(_ostream out)"""
3880 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3883 def get_all_strings():
3884 r"""get_all_strings() -> IMP::Vector< std::string >"""
3885 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3888 def get_number_unique():
3889 r"""get_number_unique() -> unsigned int"""
3890 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3893 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3894 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3897 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3898 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3899 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3902 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3904 r"""Proxy of C++ IMP::Key< 16 > class."""
3906 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3908 def __init__(self, *args):
3910 __init__(Vector3DKey self) -> Vector3DKey
3911 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3912 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3914 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3918 r"""add_key(std::string sc) -> unsigned int"""
3919 return _IMP_kernel.Vector3DKey_add_key(sc)
3922 def get_key_exists(sc):
3923 r"""get_key_exists(std::string sc) -> bool"""
3924 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3926 def get_string(self):
3927 r"""get_string(Vector3DKey self) -> std::string const"""
3928 return _IMP_kernel.Vector3DKey_get_string(self)
3930 def __cmp__(self, o):
3931 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3932 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3934 def __eq__(self, o):
3935 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3936 return _IMP_kernel.Vector3DKey___eq__(self, o)
3938 def __ne__(self, o):
3939 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3940 return _IMP_kernel.Vector3DKey___ne__(self, o)
3942 def __lt__(self, o):
3943 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3944 return _IMP_kernel.Vector3DKey___lt__(self, o)
3946 def __gt__(self, o):
3947 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3948 return _IMP_kernel.Vector3DKey___gt__(self, o)
3950 def __ge__(self, o):
3951 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3952 return _IMP_kernel.Vector3DKey___ge__(self, o)
3954 def __le__(self, o):
3955 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3956 return _IMP_kernel.Vector3DKey___le__(self, o)
3959 r"""__hash__(Vector3DKey self) -> std::size_t"""
3960 return _IMP_kernel.Vector3DKey___hash__(self)
3962 def show(self, *args):
3963 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3964 return _IMP_kernel.Vector3DKey_show(self, *args)
3967 def add_alias(old_key, new_name):
3968 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3969 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3972 def get_number_of_keys():
3973 r"""get_number_of_keys() -> unsigned int"""
3974 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3977 r"""get_index(Vector3DKey self) -> unsigned int"""
3978 return _IMP_kernel.Vector3DKey_get_index(self)
3982 r"""show_all(_ostream out)"""
3983 return _IMP_kernel.Vector3DKey_show_all(out)
3986 def get_all_strings():
3987 r"""get_all_strings() -> IMP::Vector< std::string >"""
3988 return _IMP_kernel.Vector3DKey_get_all_strings()
3991 def get_number_unique():
3992 r"""get_number_unique() -> unsigned int"""
3993 return _IMP_kernel.Vector3DKey_get_number_unique()
3996 r"""__str__(Vector3DKey self) -> std::string"""
3997 return _IMP_kernel.Vector3DKey___str__(self)
4000 r"""__repr__(Vector3DKey self) -> std::string"""
4001 return _IMP_kernel.Vector3DKey___repr__(self)
4002 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
4005 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
4007 r"""Proxy of C++ IMP::Key< 17 > class."""
4009 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4011 def __init__(self, *args):
4013 __init__(Vector3DDerivKey self) -> Vector3DDerivKey
4014 __init__(Vector3DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DDerivKey
4015 __init__(Vector3DDerivKey self, unsigned int i) -> Vector3DDerivKey
4017 _IMP_kernel.Vector3DDerivKey_swiginit(self, _IMP_kernel.new_Vector3DDerivKey(*args))
4021 r"""add_key(std::string sc) -> unsigned int"""
4022 return _IMP_kernel.Vector3DDerivKey_add_key(sc)
4025 def get_key_exists(sc):
4026 r"""get_key_exists(std::string sc) -> bool"""
4027 return _IMP_kernel.Vector3DDerivKey_get_key_exists(sc)
4029 def get_string(self):
4030 r"""get_string(Vector3DDerivKey self) -> std::string const"""
4031 return _IMP_kernel.Vector3DDerivKey_get_string(self)
4033 def __cmp__(self, o):
4034 r"""__cmp__(Vector3DDerivKey self, Vector3DDerivKey o) -> int"""
4035 return _IMP_kernel.Vector3DDerivKey___cmp__(self, o)
4037 def __eq__(self, o):
4038 r"""__eq__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4039 return _IMP_kernel.Vector3DDerivKey___eq__(self, o)
4041 def __ne__(self, o):
4042 r"""__ne__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4043 return _IMP_kernel.Vector3DDerivKey___ne__(self, o)
4045 def __lt__(self, o):
4046 r"""__lt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4047 return _IMP_kernel.Vector3DDerivKey___lt__(self, o)
4049 def __gt__(self, o):
4050 r"""__gt__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4051 return _IMP_kernel.Vector3DDerivKey___gt__(self, o)
4053 def __ge__(self, o):
4054 r"""__ge__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4055 return _IMP_kernel.Vector3DDerivKey___ge__(self, o)
4057 def __le__(self, o):
4058 r"""__le__(Vector3DDerivKey self, Vector3DDerivKey o) -> bool"""
4059 return _IMP_kernel.Vector3DDerivKey___le__(self, o)
4062 r"""__hash__(Vector3DDerivKey self) -> std::size_t"""
4063 return _IMP_kernel.Vector3DDerivKey___hash__(self)
4065 def show(self, *args):
4066 r"""show(Vector3DDerivKey self, _ostream out=std::cout)"""
4067 return _IMP_kernel.Vector3DDerivKey_show(self, *args)
4070 def add_alias(old_key, new_name):
4071 r"""add_alias(Vector3DDerivKey old_key, std::string new_name) -> Vector3DDerivKey"""
4072 return _IMP_kernel.Vector3DDerivKey_add_alias(old_key, new_name)
4075 def get_number_of_keys():
4076 r"""get_number_of_keys() -> unsigned int"""
4077 return _IMP_kernel.Vector3DDerivKey_get_number_of_keys()
4080 r"""get_index(Vector3DDerivKey self) -> unsigned int"""
4081 return _IMP_kernel.Vector3DDerivKey_get_index(self)
4085 r"""show_all(_ostream out)"""
4086 return _IMP_kernel.Vector3DDerivKey_show_all(out)
4089 def get_all_strings():
4090 r"""get_all_strings() -> IMP::Vector< std::string >"""
4091 return _IMP_kernel.Vector3DDerivKey_get_all_strings()
4094 def get_number_unique():
4095 r"""get_number_unique() -> unsigned int"""
4096 return _IMP_kernel.Vector3DDerivKey_get_number_unique()
4099 r"""__str__(Vector3DDerivKey self) -> std::string"""
4100 return _IMP_kernel.Vector3DDerivKey___str__(self)
4103 r"""__repr__(Vector3DDerivKey self) -> std::string"""
4104 return _IMP_kernel.Vector3DDerivKey___repr__(self)
4105 __swig_destroy__ = _IMP_kernel.delete_Vector3DDerivKey
4108 _IMP_kernel.Vector3DDerivKey_swigregister(Vector3DDerivKey)
4110 r"""Proxy of C++ IMP::Key< 18 > class."""
4112 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4114 def __init__(self, *args):
4116 __init__(Vector4DKey self) -> Vector4DKey
4117 __init__(Vector4DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DKey
4118 __init__(Vector4DKey self, unsigned int i) -> Vector4DKey
4120 _IMP_kernel.Vector4DKey_swiginit(self, _IMP_kernel.new_Vector4DKey(*args))
4124 r"""add_key(std::string sc) -> unsigned int"""
4125 return _IMP_kernel.Vector4DKey_add_key(sc)
4128 def get_key_exists(sc):
4129 r"""get_key_exists(std::string sc) -> bool"""
4130 return _IMP_kernel.Vector4DKey_get_key_exists(sc)
4132 def get_string(self):
4133 r"""get_string(Vector4DKey self) -> std::string const"""
4134 return _IMP_kernel.Vector4DKey_get_string(self)
4136 def __cmp__(self, o):
4137 r"""__cmp__(Vector4DKey self, Vector4DKey o) -> int"""
4138 return _IMP_kernel.Vector4DKey___cmp__(self, o)
4140 def __eq__(self, o):
4141 r"""__eq__(Vector4DKey self, Vector4DKey o) -> bool"""
4142 return _IMP_kernel.Vector4DKey___eq__(self, o)
4144 def __ne__(self, o):
4145 r"""__ne__(Vector4DKey self, Vector4DKey o) -> bool"""
4146 return _IMP_kernel.Vector4DKey___ne__(self, o)
4148 def __lt__(self, o):
4149 r"""__lt__(Vector4DKey self, Vector4DKey o) -> bool"""
4150 return _IMP_kernel.Vector4DKey___lt__(self, o)
4152 def __gt__(self, o):
4153 r"""__gt__(Vector4DKey self, Vector4DKey o) -> bool"""
4154 return _IMP_kernel.Vector4DKey___gt__(self, o)
4156 def __ge__(self, o):
4157 r"""__ge__(Vector4DKey self, Vector4DKey o) -> bool"""
4158 return _IMP_kernel.Vector4DKey___ge__(self, o)
4160 def __le__(self, o):
4161 r"""__le__(Vector4DKey self, Vector4DKey o) -> bool"""
4162 return _IMP_kernel.Vector4DKey___le__(self, o)
4165 r"""__hash__(Vector4DKey self) -> std::size_t"""
4166 return _IMP_kernel.Vector4DKey___hash__(self)
4168 def show(self, *args):
4169 r"""show(Vector4DKey self, _ostream out=std::cout)"""
4170 return _IMP_kernel.Vector4DKey_show(self, *args)
4173 def add_alias(old_key, new_name):
4174 r"""add_alias(Vector4DKey old_key, std::string new_name) -> Vector4DKey"""
4175 return _IMP_kernel.Vector4DKey_add_alias(old_key, new_name)
4178 def get_number_of_keys():
4179 r"""get_number_of_keys() -> unsigned int"""
4180 return _IMP_kernel.Vector4DKey_get_number_of_keys()
4183 r"""get_index(Vector4DKey self) -> unsigned int"""
4184 return _IMP_kernel.Vector4DKey_get_index(self)
4188 r"""show_all(_ostream out)"""
4189 return _IMP_kernel.Vector4DKey_show_all(out)
4192 def get_all_strings():
4193 r"""get_all_strings() -> IMP::Vector< std::string >"""
4194 return _IMP_kernel.Vector4DKey_get_all_strings()
4197 def get_number_unique():
4198 r"""get_number_unique() -> unsigned int"""
4199 return _IMP_kernel.Vector4DKey_get_number_unique()
4202 r"""__str__(Vector4DKey self) -> std::string"""
4203 return _IMP_kernel.Vector4DKey___str__(self)
4206 r"""__repr__(Vector4DKey self) -> std::string"""
4207 return _IMP_kernel.Vector4DKey___repr__(self)
4208 __swig_destroy__ = _IMP_kernel.delete_Vector4DKey
4211 _IMP_kernel.Vector4DKey_swigregister(Vector4DKey)
4213 r"""Proxy of C++ IMP::Key< 19 > class."""
4215 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4217 def __init__(self, *args):
4219 __init__(Vector4DDerivKey self) -> Vector4DDerivKey
4220 __init__(Vector4DDerivKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector4DDerivKey
4221 __init__(Vector4DDerivKey self, unsigned int i) -> Vector4DDerivKey
4223 _IMP_kernel.Vector4DDerivKey_swiginit(self, _IMP_kernel.new_Vector4DDerivKey(*args))
4227 r"""add_key(std::string sc) -> unsigned int"""
4228 return _IMP_kernel.Vector4DDerivKey_add_key(sc)
4231 def get_key_exists(sc):
4232 r"""get_key_exists(std::string sc) -> bool"""
4233 return _IMP_kernel.Vector4DDerivKey_get_key_exists(sc)
4235 def get_string(self):
4236 r"""get_string(Vector4DDerivKey self) -> std::string const"""
4237 return _IMP_kernel.Vector4DDerivKey_get_string(self)
4239 def __cmp__(self, o):
4240 r"""__cmp__(Vector4DDerivKey self, Vector4DDerivKey o) -> int"""
4241 return _IMP_kernel.Vector4DDerivKey___cmp__(self, o)
4243 def __eq__(self, o):
4244 r"""__eq__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4245 return _IMP_kernel.Vector4DDerivKey___eq__(self, o)
4247 def __ne__(self, o):
4248 r"""__ne__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4249 return _IMP_kernel.Vector4DDerivKey___ne__(self, o)
4251 def __lt__(self, o):
4252 r"""__lt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4253 return _IMP_kernel.Vector4DDerivKey___lt__(self, o)
4255 def __gt__(self, o):
4256 r"""__gt__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4257 return _IMP_kernel.Vector4DDerivKey___gt__(self, o)
4259 def __ge__(self, o):
4260 r"""__ge__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4261 return _IMP_kernel.Vector4DDerivKey___ge__(self, o)
4263 def __le__(self, o):
4264 r"""__le__(Vector4DDerivKey self, Vector4DDerivKey o) -> bool"""
4265 return _IMP_kernel.Vector4DDerivKey___le__(self, o)
4268 r"""__hash__(Vector4DDerivKey self) -> std::size_t"""
4269 return _IMP_kernel.Vector4DDerivKey___hash__(self)
4271 def show(self, *args):
4272 r"""show(Vector4DDerivKey self, _ostream out=std::cout)"""
4273 return _IMP_kernel.Vector4DDerivKey_show(self, *args)
4276 def add_alias(old_key, new_name):
4277 r"""add_alias(Vector4DDerivKey old_key, std::string new_name) -> Vector4DDerivKey"""
4278 return _IMP_kernel.Vector4DDerivKey_add_alias(old_key, new_name)
4281 def get_number_of_keys():
4282 r"""get_number_of_keys() -> unsigned int"""
4283 return _IMP_kernel.Vector4DDerivKey_get_number_of_keys()
4286 r"""get_index(Vector4DDerivKey self) -> unsigned int"""
4287 return _IMP_kernel.Vector4DDerivKey_get_index(self)
4291 r"""show_all(_ostream out)"""
4292 return _IMP_kernel.Vector4DDerivKey_show_all(out)
4295 def get_all_strings():
4296 r"""get_all_strings() -> IMP::Vector< std::string >"""
4297 return _IMP_kernel.Vector4DDerivKey_get_all_strings()
4300 def get_number_unique():
4301 r"""get_number_unique() -> unsigned int"""
4302 return _IMP_kernel.Vector4DDerivKey_get_number_unique()
4305 r"""__str__(Vector4DDerivKey self) -> std::string"""
4306 return _IMP_kernel.Vector4DDerivKey___str__(self)
4309 r"""__repr__(Vector4DDerivKey self) -> std::string"""
4310 return _IMP_kernel.Vector4DDerivKey___repr__(self)
4311 __swig_destroy__ = _IMP_kernel.delete_Vector4DDerivKey
4314 _IMP_kernel.Vector4DDerivKey_swigregister(Vector4DDerivKey)
4323 class FloatIndex(_Value):
4324 r"""Proxy of C++ IMP::FloatIndex class."""
4326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4328 def __init__(self, *args):
4330 __init__(FloatIndex self, ParticleIndex pi, FloatKey k) -> FloatIndex
4331 __init__(FloatIndex self, ParticleIndex pi, Vector3DDerivKey k, int index) -> FloatIndex
4332 __init__(FloatIndex self, ParticleIndex pi, Vector4DDerivKey k, int index) -> FloatIndex
4334 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
4336 def get_float_key(self):
4337 r"""get_float_key(FloatIndex self) -> FloatKey"""
4338 return _IMP_kernel.FloatIndex_get_float_key(self)
4340 def set_value(self, m, v):
4341 r"""set_value(FloatIndex self, Model m, IMP::Float v)"""
4342 return _IMP_kernel.FloatIndex_set_value(self, m, v)
4344 def get_value(self, m):
4345 r"""get_value(FloatIndex self, Model m) -> IMP::Float"""
4346 return _IMP_kernel.FloatIndex_get_value(self, m)
4348 def get_derivative(self, m):
4349 r"""get_derivative(FloatIndex self, Model m) -> IMP::Float"""
4350 return _IMP_kernel.FloatIndex_get_derivative(self, m)
4352 def show(self, *args):
4353 r"""show(FloatIndex self, _ostream out=std::cout)"""
4354 return _IMP_kernel.FloatIndex_show(self, *args)
4357 r"""__str__(FloatIndex self) -> std::string"""
4358 return _IMP_kernel.FloatIndex___str__(self)
4361 r"""__repr__(FloatIndex self) -> std::string"""
4362 return _IMP_kernel.FloatIndex___repr__(self)
4363 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
4366 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
4367 class _ParticleIndexTag(object):
4368 r"""Proxy of C++ IMP::ParticleIndexTag class."""
4370 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4371 __repr__ = _swig_repr
4374 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
4375 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
4376 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
4379 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
4380 class ModelObject(
Object):
4381 r"""Proxy of C++ IMP::ModelObject class."""
4383 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4385 def __init__(self, *args):
4387 __init__(ModelObject self, Model m, std::string name) -> ModelObject
4388 __init__(ModelObject self) -> ModelObject
4390 if self.__class__ == ModelObject:
4394 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
4396 if self.__class__ != ModelObject:
4397 _director_objects.register(self)
4401 __swig_destroy__ = _IMP_kernel.delete_ModelObject
4403 def get_model(self):
4404 m = _IMP_kernel.ModelObject_get_model(self)
4405 if m
in _models_set:
4406 m = _models_set_get(m)
4411 def get_inputs(self):
4412 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4413 return _IMP_kernel.ModelObject_get_inputs(self)
4415 def get_outputs(self):
4416 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4417 return _IMP_kernel.ModelObject_get_outputs(self)
4419 def get_interactions(self):
4420 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4421 return _IMP_kernel.ModelObject_get_interactions(self)
4423 def get_has_dependencies(self):
4424 r"""get_has_dependencies(ModelObject self) -> bool"""
4425 return _IMP_kernel.ModelObject_get_has_dependencies(self)
4427 def set_has_dependencies(self, tf):
4428 r"""set_has_dependencies(ModelObject self, bool tf)"""
4429 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
4431 def set_has_required_score_states(self, tf):
4432 r"""set_has_required_score_states(ModelObject self, bool tf)"""
4433 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
4435 def get_has_required_score_states(self):
4436 r"""get_has_required_score_states(ModelObject self) -> bool"""
4437 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
4439 def get_required_score_states(self):
4440 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
4441 return _IMP_kernel.ModelObject_get_required_score_states(self)
4443 def handle_set_has_required_score_states(self, arg0):
4444 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
4445 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
4447 def do_get_inputs(self):
4448 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4449 return _IMP_kernel.ModelObject_do_get_inputs(self)
4451 def do_get_outputs(self):
4452 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
4453 return _IMP_kernel.ModelObject_do_get_outputs(self)
4455 def do_get_interactions(self):
4456 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
4457 return _IMP_kernel.ModelObject_do_get_interactions(self)
4460 r"""__str__(ModelObject self) -> std::string"""
4461 return _IMP_kernel.ModelObject___str__(self)
4464 r"""__repr__(ModelObject self) -> std::string"""
4465 return _IMP_kernel.ModelObject___repr__(self)
4469 return _object_cast_to_ModelObject(o)
4472 def do_show(self, out):
4477 return _object_cast_to_ModelObject(o)
4479 def __disown__(self):
4481 _IMP_kernel.disown_ModelObject(self)
4482 return weakref.proxy(self)
4485 r"""do_destroy(ModelObject self)"""
4486 return _IMP_kernel.ModelObject_do_destroy(self)
4489 _IMP_kernel.ModelObject_swigregister(ModelObject)
4490 cvar = _IMP_kernel.cvar
4491 NO_MAX = cvar.NO_MAX
4492 BAD_SCORE = cvar.BAD_SCORE
4494 class _ParticleInputs(object):
4495 r"""Proxy of C++ IMP::ParticleInputs class."""
4497 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4499 def __init__(self, *args, **kwargs):
4500 raise AttributeError(
"No constructor defined - class is abstract")
4501 __repr__ = _swig_repr
4503 def get_inputs(self, m, pis):
4504 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4505 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
4508 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
4509 class _ParticleOutputs(object):
4510 r"""Proxy of C++ IMP::ParticleOutputs class."""
4512 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4514 def __init__(self, *args, **kwargs):
4515 raise AttributeError(
"No constructor defined - class is abstract")
4516 __repr__ = _swig_repr
4518 def get_outputs(self, m, pis):
4519 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4520 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
4523 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
4526 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4527 return _IMP_kernel.get_input_particles(mos)
4530 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4531 return _IMP_kernel.get_input_containers(mos)
4534 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
4535 return _IMP_kernel.get_output_particles(mos)
4538 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
4539 return _IMP_kernel.get_output_containers(mos)
4542 _plural_types.append(
"Vector1Ds")
4543 _value_types.append(
"Vector1D")
4547 _plural_types.append(
"Vector2Ds")
4548 _value_types.append(
"Vector2D")
4552 _plural_types.append(
"Vector3Ds")
4553 _value_types.append(
"Vector3D")
4557 _plural_types.append(
"Vector4Ds")
4558 _value_types.append(
"Vector4D")
4562 _plural_types.append(
"Vector5Ds")
4563 _value_types.append(
"Vector5D")
4567 _plural_types.append(
"Vector6Ds")
4568 _value_types.append(
"Vector6D")
4572 _plural_types.append(
"Vector1Ds")
4573 _value_types.append(
"VectorD<1>")
4577 _plural_types.append(
"Vector2Ds")
4578 _value_types.append(
"VectorD<2>")
4582 _plural_types.append(
"Vector3Ds")
4583 _value_types.append(
"VectorD<3>")
4587 _plural_types.append(
"Vector4Ds")
4588 _value_types.append(
"VectorD<4>")
4592 _plural_types.append(
"Vector5Ds")
4593 _value_types.append(
"VectorD<5>")
4597 _plural_types.append(
"Vector6Ds")
4598 _value_types.append(
"VectorD<6>")
4602 _plural_types.append(
"VectorKDs")
4603 _value_types.append(
"VectorKD")
4607 _plural_types.append(
"VectorKDs")
4608 _value_types.append(
"VectorD<-1>")
4612 r"""get_basis_vector_kd(int D, unsigned int coordinate) -> VectorKD"""
4613 return _IMP_kernel.get_basis_vector_kd(D, coordinate)
4616 r"""get_zero_vector_kd(int D) -> VectorKD"""
4617 return _IMP_kernel.get_zero_vector_kd(D)
4620 r"""get_ones_vector_kd(unsigned int D, double v=1) -> VectorKD"""
4621 return _IMP_kernel.get_ones_vector_kd(D, v)
4624 r"""get_vector_product(Vector3D p1, Vector3D p2) -> Vector3D"""
4625 return _IMP_kernel.get_vector_product(p1, p2)
4628 r"""get_orthogonal_vector(Vector3D v) -> Vector3D"""
4629 return _IMP_kernel.get_orthogonal_vector(v)
4632 r"""get_centroid(IMP::Vector3Ds const & ps) -> Vector3D"""
4633 return _IMP_kernel.get_centroid(ps)
4636 r"""get_radius_of_gyration(IMP::Vector3Ds const & ps) -> double"""
4637 return _IMP_kernel.get_radius_of_gyration(ps)
4638 class DerivativeAccumulator(object):
4639 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
4641 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4642 __repr__ = _swig_repr
4644 def __init__(self, *args):
4646 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
4647 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
4648 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
4650 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
4652 def __call__(self, *args):
4654 __call__(DerivativeAccumulator self, double const value) -> double
4655 __call__(DerivativeAccumulator self, Vector3D value) -> Vector3D
4656 __call__(DerivativeAccumulator self, Vector4D value) -> Vector4D
4658 return _IMP_kernel.DerivativeAccumulator___call__(self, *args)
4660 def get_weight(self):
4661 r"""get_weight(DerivativeAccumulator self) -> double"""
4662 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
4664 def show(self, *args):
4665 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
4666 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
4667 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
4670 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
4671 class EvaluationState(object):
4672 r"""Proxy of C++ IMP::EvaluationState class."""
4674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4675 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
4676 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
4678 def __init__(self, *args):
4680 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
4681 __init__(EvaluationState self) -> EvaluationState
4683 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
4685 def show(self, *args):
4686 r"""show(EvaluationState self, _ostream out=std::cout)"""
4687 return _IMP_kernel.EvaluationState_show(self, *args)
4690 r"""__str__(EvaluationState self) -> std::string"""
4691 return _IMP_kernel.EvaluationState___str__(self)
4694 r"""__repr__(EvaluationState self) -> std::string"""
4695 return _IMP_kernel.EvaluationState___repr__(self)
4696 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
4699 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
4700 class ScoreAccumulator(_Value):
4701 r"""Proxy of C++ IMP::ScoreAccumulator class."""
4703 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4705 def __init__(self, *args):
4707 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
4708 __init__(ScoreAccumulator self) -> ScoreAccumulator
4709 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
4710 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
4712 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
4714 def add_score(self, score):
4715 r"""add_score(ScoreAccumulator self, double score)"""
4716 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
4718 def get_abort_evaluation(self):
4719 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
4720 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
4722 def get_is_evaluate_if_below(self):
4723 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
4724 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
4726 def get_is_evaluate_if_good(self):
4727 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
4728 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
4730 def get_maximum(self):
4731 r"""get_maximum(ScoreAccumulator self) -> double"""
4732 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
4734 def get_derivative_accumulator(self):
4735 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
4736 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
4738 def show(self, *args):
4739 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
4740 return _IMP_kernel.ScoreAccumulator_show(self, *args)
4743 r"""__str__(ScoreAccumulator self) -> std::string"""
4744 return _IMP_kernel.ScoreAccumulator___str__(self)
4747 r"""__repr__(ScoreAccumulator self) -> std::string"""
4748 return _IMP_kernel.ScoreAccumulator___repr__(self)
4749 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
4752 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
4753 class ScoreState(ModelObject):
4754 r"""Proxy of C++ IMP::ScoreState class."""
4756 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4758 def set_can_skip(self, can_skip):
4759 r"""set_can_skip(ScoreState self, bool can_skip)"""
4760 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
4762 def __init__(self, *args):
4764 __init__(ScoreState self, Model m, std::string name) -> ScoreState
4765 __init__(ScoreState self) -> ScoreState
4767 if self.__class__ == ScoreState:
4771 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
4773 if self.__class__ != ScoreState:
4774 _director_objects.register(self)
4779 def before_evaluate(self):
4780 r"""before_evaluate(ScoreState self)"""
4781 return _IMP_kernel.ScoreState_before_evaluate(self)
4783 def after_evaluate(self, accpt):
4784 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4785 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
4787 def get_can_skip(self):
4788 r"""get_can_skip(ScoreState self) -> bool"""
4789 return _IMP_kernel.ScoreState_get_can_skip(self)
4791 def get_has_update_order(self):
4792 r"""get_has_update_order(ScoreState self) -> bool"""
4793 return _IMP_kernel.ScoreState_get_has_update_order(self)
4796 r"""get_update_order(ScoreState self) -> unsigned int"""
4797 return _IMP_kernel.ScoreState_get_update_order(self)
4799 def handle_set_has_required_score_states(self, tf):
4800 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
4801 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
4803 def do_before_evaluate(self):
4804 r"""do_before_evaluate(ScoreState self)"""
4805 return _IMP_kernel.ScoreState_do_before_evaluate(self)
4807 def do_after_evaluate(self, accpt):
4808 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
4809 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
4810 __swig_destroy__ = _IMP_kernel.delete_ScoreState
4813 r"""__str__(ScoreState self) -> std::string"""
4814 return _IMP_kernel.ScoreState___str__(self)
4817 r"""__repr__(ScoreState self) -> std::string"""
4818 return _IMP_kernel.ScoreState___repr__(self)
4822 return _object_cast_to_ScoreState(o)
4825 def do_show(self, out):
4830 return _object_cast_to_ScoreState(o)
4833 def _wrap_jax(self, apply_func, keys=None):
4834 """Create the return value for _get_jax.
4835 Use this method in _get_jax() to wrap the JAX apply function
4836 with other model- and ScoreState-specific information.
4838 @param apply_func A function implemented using JAX that takes
4839 a single argument (the current JAX Model) and returns
4840 a new JAX Model with the ScoreState's transformation
4842 @param keys If given, a set of IMP::Key objects describing Model
4843 attributes (other than xyz and radius) that the ScoreState
4846 from IMP._jax_util
import JAXScoreStateInfo
4847 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
4851 """Return a JAX implementation of this ScoreState.
4852 Implement this method in a ScoreState subclass to provide
4853 an equivalent function using [JAX](https://docs.jax.dev/)
4854 that modifies the JAX Model. See also _wrap_jax.
4856 raise NotImplementedError(
4857 f
"No JAX implementation for {self} ({type(self)})")
4859 def __disown__(self):
4861 _IMP_kernel.disown_ScoreState(self)
4862 return weakref.proxy(self)
4865 r"""do_destroy(ScoreState self)"""
4866 return _IMP_kernel.ScoreState_do_destroy(self)
4868 def do_get_inputs(self):
4869 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4870 return _IMP_kernel.ScoreState_do_get_inputs(self)
4872 def do_get_outputs(self):
4873 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
4874 return _IMP_kernel.ScoreState_do_get_outputs(self)
4876 def do_get_interactions(self):
4877 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
4878 return _IMP_kernel.ScoreState_do_get_interactions(self)
4881 _IMP_kernel.ScoreState_swigregister(ScoreState)
4884 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
4885 return _IMP_kernel.get_update_order(input)
4886 class Constraint(ScoreState):
4887 r"""Proxy of C++ IMP::Constraint class."""
4889 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4891 def __init__(self, *args):
4893 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
4894 __init__(Constraint self) -> Constraint
4896 if self.__class__ == Constraint:
4900 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
4902 if self.__class__ != Constraint:
4903 _director_objects.register(self)
4908 def do_update_attributes(self):
4909 r"""do_update_attributes(Constraint self)"""
4910 return _IMP_kernel.Constraint_do_update_attributes(self)
4912 def do_update_derivatives(self, da):
4913 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4914 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4916 def do_before_evaluate(self):
4917 r"""do_before_evaluate(Constraint self)"""
4918 return _IMP_kernel.Constraint_do_before_evaluate(self)
4920 def do_after_evaluate(self, da):
4921 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4922 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4923 __swig_destroy__ = _IMP_kernel.delete_Constraint
4926 r"""__str__(Constraint self) -> std::string"""
4927 return _IMP_kernel.Constraint___str__(self)
4930 r"""__repr__(Constraint self) -> std::string"""
4931 return _IMP_kernel.Constraint___repr__(self)
4935 return _object_cast_to_Constraint(o)
4938 def do_show(self, out):
4943 return _object_cast_to_Constraint(o)
4945 def __disown__(self):
4947 _IMP_kernel.disown_Constraint(self)
4948 return weakref.proxy(self)
4951 r"""do_destroy(Constraint self)"""
4952 return _IMP_kernel.Constraint_do_destroy(self)
4954 def do_get_inputs(self):
4955 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4956 return _IMP_kernel.Constraint_do_get_inputs(self)
4958 def do_get_outputs(self):
4959 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4960 return _IMP_kernel.Constraint_do_get_outputs(self)
4962 def do_get_interactions(self):
4963 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4964 return _IMP_kernel.Constraint_do_get_interactions(self)
4967 _IMP_kernel.Constraint_swigregister(Constraint)
4968 class Container(ModelObject):
4969 r"""Proxy of C++ IMP::Container class."""
4971 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4973 def __init__(self, *args):
4975 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4976 __init__(Container self) -> Container
4978 if self.__class__ == Container:
4982 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4984 if self.__class__ != Container:
4985 _director_objects.register(self)
4990 def do_get_contents_hash(self):
4991 r"""do_get_contents_hash(Container self) -> std::size_t"""
4992 return _IMP_kernel.Container_do_get_contents_hash(self)
4994 def get_all_possible_indexes(self):
4995 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
4996 return _IMP_kernel.Container_get_all_possible_indexes(self)
4998 def get_contents_hash(self):
4999 r"""get_contents_hash(Container self) -> std::size_t"""
5000 return _IMP_kernel.Container_get_contents_hash(self)
5002 def do_get_outputs(self):
5003 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
5004 return _IMP_kernel.Container_do_get_outputs(self)
5006 def get_is_decomposable(self):
5007 r"""get_is_decomposable(Container self) -> bool"""
5008 return _IMP_kernel.Container_get_is_decomposable(self)
5010 def validate_readable(self):
5011 r"""validate_readable(Container self)"""
5012 return _IMP_kernel.Container_validate_readable(self)
5014 def validate_writable(self):
5015 r"""validate_writable(Container self)"""
5016 return _IMP_kernel.Container_validate_writable(self)
5018 def set_is_readable(self, tf):
5019 r"""set_is_readable(Container self, bool tf)"""
5020 return _IMP_kernel.Container_set_is_readable(self, tf)
5022 def set_is_writable(self, tf):
5023 r"""set_is_writable(Container self, bool tf)"""
5024 return _IMP_kernel.Container_set_is_writable(self, tf)
5025 __swig_destroy__ = _IMP_kernel.delete_Container
5028 r"""__str__(Container self) -> std::string"""
5029 return _IMP_kernel.Container___str__(self)
5032 r"""__repr__(Container self) -> std::string"""
5033 return _IMP_kernel.Container___repr__(self)
5037 return _object_cast_to_Container(o)
5040 def do_show(self, out):
5045 return _object_cast_to_Container(o)
5047 def __disown__(self):
5049 _IMP_kernel.disown_Container(self)
5050 return weakref.proxy(self)
5053 r"""do_destroy(Container self)"""
5054 return _IMP_kernel.Container_do_destroy(self)
5056 def handle_set_has_required_score_states(self, arg0):
5057 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
5058 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
5060 def do_get_inputs(self):
5061 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
5062 return _IMP_kernel.Container_do_get_inputs(self)
5064 def do_get_interactions(self):
5065 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
5066 return _IMP_kernel.Container_do_get_interactions(self)
5069 _IMP_kernel.Container_swigregister(Container)
5070 class RestraintInfo(
Object):
5071 r"""Proxy of C++ IMP::RestraintInfo class."""
5073 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5075 def __init__(self, *args):
5076 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
5077 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
5080 r"""clear(RestraintInfo self)"""
5081 return _IMP_kernel.RestraintInfo_clear(self)
5083 def add_int(self, key, value):
5084 r"""add_int(RestraintInfo self, std::string key, int value)"""
5085 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
5087 def get_number_of_int(self):
5088 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
5089 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
5091 def get_int_key(self, i):
5092 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
5093 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
5095 def get_int_value(self, i):
5096 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
5097 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
5099 def add_float(self, key, value):
5100 r"""add_float(RestraintInfo self, std::string key, double value)"""
5101 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
5103 def get_number_of_float(self):
5104 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
5105 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
5107 def get_float_key(self, i):
5108 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
5109 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
5111 def get_float_value(self, i):
5112 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
5113 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
5115 def add_string(self, key, value):
5116 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
5117 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
5119 def get_number_of_string(self):
5120 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
5121 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
5123 def get_string_key(self, i):
5124 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
5125 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
5127 def get_string_value(self, i):
5128 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
5129 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
5131 def add_filename(self, key, value):
5132 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
5133 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
5135 def get_number_of_filename(self):
5136 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
5137 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
5139 def get_filename_key(self, i):
5140 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
5141 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
5143 def get_filename_value(self, i):
5144 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
5145 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
5147 def add_floats(self, key, value):
5148 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
5149 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
5151 def get_number_of_floats(self):
5152 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
5153 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
5155 def get_floats_key(self, i):
5156 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
5157 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
5159 def get_floats_value(self, i):
5160 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
5161 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
5163 def add_ints(self, key, value):
5164 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
5165 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
5167 def get_number_of_ints(self):
5168 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
5169 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
5171 def get_ints_key(self, i):
5172 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
5173 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
5175 def get_ints_value(self, i):
5176 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
5177 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
5179 def add_strings(self, key, value):
5180 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
5181 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
5183 def get_number_of_strings(self):
5184 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
5185 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
5187 def get_strings_key(self, i):
5188 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
5189 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
5191 def get_strings_value(self, i):
5192 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5193 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
5195 def add_filenames(self, key, value):
5196 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
5197 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
5199 def get_number_of_filenames(self):
5200 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
5201 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
5203 def get_filenames_key(self, i):
5204 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
5205 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
5207 def get_filenames_value(self, i):
5208 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
5209 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
5211 def add_particle_indexes(self, key, value):
5212 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
5213 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
5215 def get_number_of_particle_indexes(self):
5216 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
5217 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
5219 def get_particle_indexes_key(self, i):
5220 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
5221 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
5223 def get_particle_indexes_value(self, i):
5224 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
5225 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
5228 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
5229 return _IMP_kernel.RestraintInfo_get_version_info(self)
5230 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
5233 r"""__str__(RestraintInfo self) -> std::string"""
5234 return _IMP_kernel.RestraintInfo___str__(self)
5237 r"""__repr__(RestraintInfo self) -> std::string"""
5238 return _IMP_kernel.RestraintInfo___repr__(self)
5242 return _object_cast_to_RestraintInfo(o)
5246 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
5247 class Restraint(ModelObject):
5248 r"""Proxy of C++ IMP::Restraint class."""
5250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5252 def __init__(self, *args):
5254 __init__(Restraint self, Model m, std::string name) -> Restraint
5255 __init__(Restraint self) -> Restraint
5257 if self.__class__ == Restraint:
5261 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
5263 if self.__class__ != Restraint:
5264 _director_objects.register(self)
5269 def get_score(self):
5270 r"""get_score(Restraint self) -> double"""
5271 return _IMP_kernel.Restraint_get_score(self)
5273 def evaluate(self, calc_derivs):
5274 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
5275 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
5277 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
5278 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5279 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
5281 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
5282 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5283 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
5285 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
5286 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5287 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
5289 def evaluate_if_good(self, calc_derivatives):
5290 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
5291 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
5293 def evaluate_if_below(self, calc_derivatives, max):
5294 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
5295 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
5297 def unprotected_evaluate(self, da):
5298 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
5299 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
5301 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
5302 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5303 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
5305 def unprotected_evaluate_if_good(self, da, max):
5306 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
5307 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
5309 def unprotected_evaluate_if_below(self, da, max):
5310 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
5311 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
5313 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
5314 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5315 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
5317 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
5318 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5319 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
5321 def get_static_info(self):
5322 r"""get_static_info(Restraint self) -> RestraintInfo"""
5323 return _IMP_kernel.Restraint_get_static_info(self)
5325 def get_dynamic_info(self):
5326 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
5327 return _IMP_kernel.Restraint_get_dynamic_info(self)
5329 def add_score_and_derivatives(self, sa):
5330 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5331 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
5333 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5334 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5335 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5338 r"""create_decomposition(Restraint self) -> Restraint"""
5339 return _IMP_kernel.Restraint_create_decomposition(self)
5341 def create_current_decomposition(self):
5342 r"""create_current_decomposition(Restraint self) -> Restraint"""
5343 return _IMP_kernel.Restraint_create_current_decomposition(self)
5345 def set_weight(self, weight):
5346 r"""set_weight(Restraint self, IMP::Float weight)"""
5347 return _IMP_kernel.Restraint_set_weight(self, weight)
5349 def get_weight(self):
5350 r"""get_weight(Restraint self) -> IMP::Float"""
5351 return _IMP_kernel.Restraint_get_weight(self)
5353 def get_maximum_score(self):
5354 r"""get_maximum_score(Restraint self) -> double"""
5355 return _IMP_kernel.Restraint_get_maximum_score(self)
5357 def set_maximum_score(self, s):
5358 r"""set_maximum_score(Restraint self, double s)"""
5359 return _IMP_kernel.Restraint_set_maximum_score(self, s)
5362 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
5363 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
5365 def set_last_score(self, s):
5366 r"""set_last_score(Restraint self, double s)"""
5367 return _IMP_kernel.Restraint_set_last_score(self, s)
5369 def set_last_last_score(self, s):
5370 r"""set_last_last_score(Restraint self, double s)"""
5371 return _IMP_kernel.Restraint_set_last_last_score(self, s)
5373 def get_last_score(self):
5374 r"""get_last_score(Restraint self) -> double"""
5375 return _IMP_kernel.Restraint_get_last_score(self)
5377 def get_last_last_score(self):
5378 r"""get_last_last_score(Restraint self) -> double"""
5379 return _IMP_kernel.Restraint_get_last_last_score(self)
5381 def get_is_aggregate(self):
5382 r"""get_is_aggregate(Restraint self) -> bool"""
5383 return _IMP_kernel.Restraint_get_is_aggregate(self)
5385 def get_was_good(self):
5386 r"""get_was_good(Restraint self) -> bool"""
5387 return _IMP_kernel.Restraint_get_was_good(self)
5388 __swig_destroy__ = _IMP_kernel.delete_Restraint
5390 def do_create_decomposition(self):
5391 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
5392 return _IMP_kernel.Restraint_do_create_decomposition(self)
5394 def do_create_current_decomposition(self):
5395 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
5396 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
5398 def do_add_score_and_derivatives(self, sa):
5399 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
5400 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
5402 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5403 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5404 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5406 def do_get_outputs(self):
5407 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
5408 return _IMP_kernel.Restraint_do_get_outputs(self)
5409 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
5412 r"""__str__(Restraint self) -> std::string"""
5413 return _IMP_kernel.Restraint___str__(self)
5416 r"""__repr__(Restraint self) -> std::string"""
5417 return _IMP_kernel.Restraint___repr__(self)
5421 return _object_cast_to_Restraint(o)
5424 def do_show(self, out):
5429 return _object_cast_to_Restraint(o)
5432 def _wrap_jax(self, score_func, keys=None):
5433 """Create the return value for _get_jax.
5434 Use this method in _get_jax() to wrap the JAX scoring function
5435 with other model- and restraint-specific information.
5437 @param score_func A function implemented using JAX that takes
5438 a single argument (the current JAX Model) and returns
5439 the score of the restraint.
5440 @param keys If given, a set of IMP::Key objects describing Model
5441 attributes (other than xyz and radius) that the restraint
5442 uses. For example, a restraint that uses electrostatic charge
5443 would pass IMP::atom::Charged::get_charge_key() here.
5445 from IMP._jax_util
import JAXRestraintInfo
5446 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
5447 weight=self.get_weight(), keys=keys)
5450 """Return a JAX implementation of this Restraint.
5451 Implement this method in a Restraint subclass to provide
5452 an equivalent function using [JAX](https://docs.jax.dev/)
5453 that scores the current JAX Model. See also _wrap_jax.
5455 raise NotImplementedError(
5456 f
"No JAX implementation for {self} ({type(self)})")
5458 def _evaluate_jax(self):
5459 """Similar to evaluate(False), but using JAX.
5460 This is intended to be useful for testing purposes. It will likely
5461 not be particularly fast as it will copy the IMP Model and
5462 jax.jit-compile the scoring function each time."""
5464 ji = self._get_jax()
5465 jm = ji.get_jax_model()
5466 j = jax.jit(ji.score_func)
5469 def __disown__(self):
5471 _IMP_kernel.disown_Restraint(self)
5472 return weakref.proxy(self)
5475 r"""do_destroy(Restraint self)"""
5476 return _IMP_kernel.Restraint_do_destroy(self)
5478 def handle_set_has_required_score_states(self, arg0):
5479 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
5480 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
5482 def do_get_inputs(self):
5483 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
5484 return _IMP_kernel.Restraint_do_get_inputs(self)
5486 def do_get_interactions(self):
5487 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
5488 return _IMP_kernel.Restraint_do_get_interactions(self)
5491 _IMP_kernel.Restraint_swigregister(Restraint)
5492 class _RestraintsAdaptor(_InputAdaptor):
5493 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
5495 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5496 __repr__ = _swig_repr
5498 def __init__(self, *args):
5500 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
5501 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
5502 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
5503 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
5505 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
5506 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
5509 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
5510 class RestraintSet(Restraint):
5511 r"""Proxy of C++ IMP::RestraintSet class."""
5513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5515 def __init__(self, *args):
5517 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5518 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
5519 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
5520 __init__(RestraintSet self) -> RestraintSet
5522 if self.__class__ == RestraintSet:
5526 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
5528 if self.__class__ != RestraintSet:
5529 _director_objects.register(self)
5534 def unprotected_evaluate(self, da):
5535 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
5536 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
5538 def get_type_name(self):
5539 r"""get_type_name(RestraintSet self) -> std::string"""
5540 return _IMP_kernel.RestraintSet_get_type_name(self)
5543 r"""get_version_info(RestraintSet self) -> VersionInfo"""
5544 return _IMP_kernel.RestraintSet_get_version_info(self)
5545 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
5546 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)
5547 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
5548 def __del_restraints(self): _list_util.del_varlist(self.restraints)
5549 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
5551 def remove_restraint(self, d):
5552 r"""remove_restraint(RestraintSet self, Restraint d)"""
5553 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
5555 def _python_index_restraint(self, d, start, stop):
5556 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
5557 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
5559 def remove_restraints(self, d):
5560 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
5561 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
5563 def set_restraints(self, ps):
5564 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
5565 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
5567 def set_restraints_order(self, objs):
5568 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
5569 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
5572 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
5573 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
5576 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
5577 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
5579 def clear_restraints(self):
5580 r"""clear_restraints(RestraintSet self)"""
5581 return _IMP_kernel.RestraintSet_clear_restraints(self)
5583 def get_number_of_restraints(self):
5584 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
5585 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
5587 def get_has_restraints(self):
5588 r"""get_has_restraints(RestraintSet self) -> bool"""
5589 return _IMP_kernel.RestraintSet_get_has_restraints(self)
5591 def get_restraint(self, i):
5592 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
5593 return _IMP_kernel.RestraintSet_get_restraint(self, i)
5595 def get_restraints(self):
5596 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
5597 return _IMP_kernel.RestraintSet_get_restraints(self)
5599 def erase_restraint(self, i):
5600 r"""erase_restraint(RestraintSet self, unsigned int i)"""
5601 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
5603 def reserve_restraints(self, sz):
5604 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
5605 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
5607 def get_non_sets_and_sets(self):
5608 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
5609 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
5611 def do_get_inputs(self):
5612 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5613 return _IMP_kernel.RestraintSet_do_get_inputs(self)
5616 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
5617 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
5619 def get_last_score(self):
5620 r"""get_last_score(RestraintSet self) -> double"""
5621 return _IMP_kernel.RestraintSet_get_last_score(self)
5624 r"""__str__(RestraintSet self) -> std::string"""
5625 return _IMP_kernel.RestraintSet___str__(self)
5628 r"""__repr__(RestraintSet self) -> std::string"""
5629 return _IMP_kernel.RestraintSet___repr__(self)
5633 return _object_cast_to_RestraintSet(o)
5636 def do_show(self, out):
5641 return _object_cast_to_RestraintSet(o)
5644 def _get_as_binary(self):
5645 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
5646 return _IMP_kernel.RestraintSet__get_as_binary(self)
5648 def _set_from_binary(self, p):
5649 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
5650 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
5652 def __getstate__(self):
5653 p = self._get_as_binary()
5654 if len(self.__dict__) > 1:
5655 d = self.__dict__.copy()
5660 def __setstate__(self, p):
5661 if not hasattr(self,
'this'):
5663 if isinstance(p, tuple):
5665 self.__dict__.update(d)
5666 return self._set_from_binary(p)
5669 def _get_restraint_jax_funcs_keys(self):
5670 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
5671 funcs = [j.score_func
for j
in jis]
5672 keys = frozenset(x
for j
in jis
for x
in j._keys)
5676 funcs, keys = self._get_restraint_jax_funcs_keys()
5679 return sum(f(jm)
for f
in funcs)
5683 return self._wrap_jax(jax_sf, keys=keys)
5685 def __disown__(self):
5687 _IMP_kernel.disown_RestraintSet(self)
5688 return weakref.proxy(self)
5691 r"""do_destroy(RestraintSet self)"""
5692 return _IMP_kernel.RestraintSet_do_destroy(self)
5694 def handle_set_has_required_score_states(self, arg0):
5695 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
5696 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
5698 def do_get_outputs(self):
5699 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
5700 return _IMP_kernel.RestraintSet_do_get_outputs(self)
5702 def do_get_interactions(self):
5703 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
5704 return _IMP_kernel.RestraintSet_do_get_interactions(self)
5706 def do_create_decomposition(self):
5707 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
5708 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
5710 def do_create_current_decomposition(self):
5711 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
5712 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
5714 def do_add_score_and_derivatives(self, sa):
5715 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
5716 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
5718 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
5719 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
5720 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
5723 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
5725 def get_restraints(rs):
5726 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
5727 return _IMP_kernel.get_restraints(rs)
5729 def _check_particle(p, a):
5730 if (
not p.get_is_active()):
5731 raise ValueError(
"Inactive Particle")
5732 if (type(a)() == a):
5733 raise IndexError(
"Cannot use default Index")
5734 if (
not p.has_attribute(a)):
5735 raise IndexError(
"Particle does not have attribute")
5737 class Particle(ModelObject):
5738 r"""Proxy of C++ IMP::Particle class."""
5740 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5743 r"""get_version_info(Particle self) -> VersionInfo"""
5744 return _IMP_kernel.Particle_get_version_info(self)
5745 __swig_destroy__ = _IMP_kernel.delete_Particle
5747 def __init__(self, *args):
5749 __init__(Particle self, Model m, std::string name) -> Particle
5750 __init__(Particle self, Model m) -> Particle
5751 __init__(Particle self) -> Particle
5753 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
5755 def get_float_keys(self):
5756 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
5757 return _IMP_kernel.Particle_get_float_keys(self)
5759 def get_floats_keys(self):
5760 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
5761 return _IMP_kernel.Particle_get_floats_keys(self)
5763 def get_int_keys(self):
5764 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
5765 return _IMP_kernel.Particle_get_int_keys(self)
5767 def get_ints_keys(self):
5768 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
5769 return _IMP_kernel.Particle_get_ints_keys(self)
5771 def get_string_keys(self):
5772 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
5773 return _IMP_kernel.Particle_get_string_keys(self)
5775 def get_object_keys(self):
5776 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
5777 return _IMP_kernel.Particle_get_object_keys(self)
5779 def add_cache_attribute(self, *args):
5781 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
5782 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
5783 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
5784 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
5785 add_cache_attribute(Particle self, StringKey name, IMP::String value)
5786 add_cache_attribute(Particle self, ObjectKey name, Object value)
5787 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
5789 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
5791 def get_weak_object_keys(self):
5792 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
5793 return _IMP_kernel.Particle_get_weak_object_keys(self)
5795 def add_to_derivative(self, *args):
5797 add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)
5798 add_to_derivative(Particle self, Vector3DDerivKey key, Vector3D value, DerivativeAccumulator da)
5799 add_to_derivative(Particle self, Vector4DDerivKey key, Vector4D value, DerivativeAccumulator da)
5801 return _IMP_kernel.Particle_add_to_derivative(self, *args)
5803 def set_is_optimized(self, *args):
5805 set_is_optimized(Particle self, FloatKey k, bool tf)
5806 set_is_optimized(Particle self, Vector3DDerivKey k, bool tf)
5807 set_is_optimized(Particle self, Vector4DDerivKey k, bool tf)
5809 return _IMP_kernel.Particle_set_is_optimized(self, *args)
5811 def get_is_optimized(self, *args):
5813 get_is_optimized(Particle self, FloatKey k) -> bool
5814 get_is_optimized(Particle self, Vector3DDerivKey k) -> bool
5815 get_is_optimized(Particle self, Vector4DDerivKey k) -> bool
5817 return _IMP_kernel.Particle_get_is_optimized(self, *args)
5819 def get_derivative(self, *args):
5821 get_derivative(Particle self, FloatKey k) -> IMP::Float
5822 get_derivative(Particle self, Vector3DDerivKey k) -> Vector3D
5823 get_derivative(Particle self, Vector4DDerivKey k) -> Vector4D
5825 return _IMP_kernel.Particle_get_derivative(self, *args)
5827 def add_attribute(self, *args):
5829 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
5830 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
5831 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
5832 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
5833 add_attribute(Particle self, StringKey name, IMP::String initial_value)
5834 add_attribute(Particle self, ObjectKey name, Object initial_value)
5835 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
5836 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
5837 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
5838 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
5839 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
5840 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
5841 add_attribute(Particle self, ParticleIndexKey k, Particle v)
5843 return _IMP_kernel.Particle_add_attribute(self, *args)
5845 def has_attribute(self, *args):
5847 has_attribute(Particle self, FloatKey name) -> bool
5848 has_attribute(Particle self, FloatsKey name) -> bool
5849 has_attribute(Particle self, IntKey name) -> bool
5850 has_attribute(Particle self, IntsKey name) -> bool
5851 has_attribute(Particle self, StringKey name) -> bool
5852 has_attribute(Particle self, ObjectKey name) -> bool
5853 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
5854 has_attribute(Particle self, SparseStringKey name) -> bool
5855 has_attribute(Particle self, SparseIntKey name) -> bool
5856 has_attribute(Particle self, SparseFloatKey name) -> bool
5857 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
5858 has_attribute(Particle self, ParticleIndexKey k) -> bool
5860 return _IMP_kernel.Particle_has_attribute(self, *args)
5862 def set_value(self, *args):
5864 set_value(Particle self, FloatKey name, IMP::Float value)
5865 set_value(Particle self, FloatsKey name, IMP::Floats value)
5866 set_value(Particle self, IntKey name, IMP::Int value)
5867 set_value(Particle self, IntsKey name, IMP::Ints value)
5868 set_value(Particle self, StringKey name, IMP::String value)
5869 set_value(Particle self, ObjectKey name, Object value)
5870 set_value(Particle self, IMP::WeakObjectKey name, Object value)
5871 set_value(Particle self, SparseStringKey name, IMP::String value)
5872 set_value(Particle self, SparseIntKey name, IMP::Int value)
5873 set_value(Particle self, SparseFloatKey name, IMP::Float value)
5874 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
5875 set_value(Particle self, ParticleIndexKey k, Particle v)
5877 return _IMP_kernel.Particle_set_value(self, *args)
5879 def get_value(self, *args):
5881 get_value(Particle self, FloatKey name) -> IMP::Float
5882 get_value(Particle self, FloatsKey name) -> IMP::Floats
5883 get_value(Particle self, IntKey name) -> IMP::Int
5884 get_value(Particle self, IntsKey name) -> IMP::Ints
5885 get_value(Particle self, StringKey name) -> IMP::String
5886 get_value(Particle self, ObjectKey name) -> Object
5887 get_value(Particle self, IMP::WeakObjectKey name) -> Object
5888 get_value(Particle self, SparseStringKey name) -> IMP::String
5889 get_value(Particle self, SparseIntKey name) -> IMP::Int
5890 get_value(Particle self, SparseFloatKey name) -> IMP::Float
5891 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
5892 get_value(Particle self, ParticleIndexKey k) -> Particle
5894 return _IMP_kernel.Particle_get_value(self, *args)
5896 def remove_attribute(self, *args):
5898 remove_attribute(Particle self, FloatKey name)
5899 remove_attribute(Particle self, FloatsKey name)
5900 remove_attribute(Particle self, IntKey name)
5901 remove_attribute(Particle self, IntsKey name)
5902 remove_attribute(Particle self, StringKey name)
5903 remove_attribute(Particle self, ObjectKey name)
5904 remove_attribute(Particle self, IMP::WeakObjectKey name)
5905 remove_attribute(Particle self, SparseStringKey name)
5906 remove_attribute(Particle self, SparseIntKey name)
5907 remove_attribute(Particle self, SparseFloatKey name)
5908 remove_attribute(Particle self, SparseParticleIndexKey name)
5909 remove_attribute(Particle self, ParticleIndexKey k)
5911 return _IMP_kernel.Particle_remove_attribute(self, *args)
5913 def get_particle_keys(self):
5914 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
5915 return _IMP_kernel.Particle_get_particle_keys(self)
5917 def show(self, *args):
5918 r"""show(Particle self, _ostream out=std::cout)"""
5919 return _IMP_kernel.Particle_show(self, *args)
5921 def get_is_active(self):
5922 r"""get_is_active(Particle self) -> bool"""
5923 return _IMP_kernel.Particle_get_is_active(self)
5926 r"""get_index(Particle self) -> ParticleIndex"""
5927 return _IMP_kernel.Particle_get_index(self)
5929 def __eq__(self, *args):
5931 __eq__(Particle self, Particle o) -> bool
5932 __eq__(Particle self, Decorator d) -> bool
5934 return _IMP_kernel.Particle___eq__(self, *args)
5936 def __ne__(self, *args):
5938 __ne__(Particle self, Particle o) -> bool
5939 __ne__(Particle self, Decorator d) -> bool
5941 return _IMP_kernel.Particle___ne__(self, *args)
5943 def __le__(self, *args):
5945 __le__(Particle self, Particle o) -> bool
5946 __le__(Particle self, Decorator d) -> bool
5948 return _IMP_kernel.Particle___le__(self, *args)
5950 def __lt__(self, *args):
5952 __lt__(Particle self, Particle o) -> bool
5953 __lt__(Particle self, Decorator d) -> bool
5955 return _IMP_kernel.Particle___lt__(self, *args)
5957 def __ge__(self, *args):
5959 __ge__(Particle self, Particle o) -> bool
5960 __ge__(Particle self, Decorator d) -> bool
5962 return _IMP_kernel.Particle___ge__(self, *args)
5964 def __gt__(self, *args):
5966 __gt__(Particle self, Particle o) -> bool
5967 __gt__(Particle self, Decorator d) -> bool
5969 return _IMP_kernel.Particle___gt__(self, *args)
5971 __hash__ = ModelObject.__hash__
5975 r"""__str__(Particle self) -> std::string"""
5976 return _IMP_kernel.Particle___str__(self)
5979 r"""__repr__(Particle self) -> std::string"""
5980 return _IMP_kernel.Particle___repr__(self)
5984 return _object_cast_to_Particle(o)
5987 def _get_as_binary(self):
5988 r"""_get_as_binary(Particle self) -> PyObject *"""
5989 return _IMP_kernel.Particle__get_as_binary(self)
5991 def _set_from_binary(self, p):
5992 r"""_set_from_binary(Particle self, PyObject * p)"""
5993 return _IMP_kernel.Particle__set_from_binary(self, p)
5995 def __getstate__(self):
5996 p = self._get_as_binary()
5997 if len(self.__dict__) > 1:
5998 d = self.__dict__.copy()
6003 def __setstate__(self, p):
6004 if not hasattr(self,
'this'):
6006 if isinstance(p, tuple):
6008 self.__dict__.update(d)
6009 return self._set_from_binary(p)
6013 _IMP_kernel.Particle_swigregister(Particle)
6014 class _ParticleAdaptor(_InputAdaptor):
6015 r"""Proxy of C++ IMP::ParticleAdaptor class."""
6017 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6018 __repr__ = _swig_repr
6020 def __init__(self, *args):
6022 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
6023 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
6024 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
6026 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
6028 def get_model(self):
6029 r"""get_model(_ParticleAdaptor self) -> Model"""
6030 return _IMP_kernel._ParticleAdaptor_get_model(self)
6032 def get_particle_index(self):
6033 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
6034 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
6035 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
6038 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
6039 class _DependencyGraphVertexIndex(object):
6040 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
6042 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6043 __repr__ = _swig_repr
6046 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
6047 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
6048 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
6051 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
6053 def show_as_graphviz(name, out):
6054 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
6055 return _IMP_kernel.show_as_graphviz(name, out)
6057 def get_vertex_index(g):
6058 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
6059 return _IMP_kernel.get_vertex_index(g)
6062 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
6063 return _IMP_kernel.get_dependency_graph(m)
6066 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
6067 return _IMP_kernel.get_pruned_dependency_graph(m)
6069 def get_dependent_particles(p, all, dg, index):
6070 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
6071 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
6073 def get_required_score_states(*args):
6075 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
6076 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
6077 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
6079 return _IMP_kernel.get_required_score_states(*args)
6080 class ScoringFunction(ModelObject):
6081 r"""Proxy of C++ IMP::ScoringFunction class."""
6083 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6085 def do_add_score_and_derivatives(self, sa, ss):
6086 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
6087 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
6089 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
6090 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)"""
6091 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
6093 def get_score_accumulator_if_below(self, deriv, max):
6094 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
6095 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
6097 def get_score_accumulator_if_good(self, deriv):
6098 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6099 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
6101 def get_score_accumulator(self, deriv):
6102 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
6103 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
6105 def __init__(self, *args):
6107 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
6108 __init__(ScoringFunction self) -> ScoringFunction
6110 if self.__class__ == ScoringFunction:
6114 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
6116 if self.__class__ != ScoringFunction:
6117 _director_objects.register(self)
6122 def do_get_outputs(self):
6123 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6124 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
6126 def evaluate(self, derivatives):
6127 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
6128 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
6130 def evaluate_if_good(self, derivatives):
6131 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
6132 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
6134 def evaluate_if_below(self, derivatives, max):
6135 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
6136 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
6138 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
6139 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6140 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
6142 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
6143 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
6144 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
6146 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
6147 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
6148 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
6150 def get_had_good_score(self):
6151 r"""get_had_good_score(ScoringFunction self) -> bool"""
6152 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
6154 def get_last_score(self):
6155 r"""get_last_score(ScoringFunction self) -> double"""
6156 return _IMP_kernel.ScoringFunction_get_last_score(self)
6159 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
6160 return _IMP_kernel.ScoringFunction_create_restraints(self)
6162 def get_single_restraint(self):
6163 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
6164 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
6167 r"""__str__(ScoringFunction self) -> std::string"""
6168 return _IMP_kernel.ScoringFunction___str__(self)
6171 r"""__repr__(ScoringFunction self) -> std::string"""
6172 return _IMP_kernel.ScoringFunction___repr__(self)
6176 return _object_cast_to_ScoringFunction(o)
6179 def do_show(self, out):
6184 return _object_cast_to_ScoringFunction(o)
6188 r = self.get_single_restraint()
6190 raise NotImplementedError(
6191 f
"No JAX implementation for {self} ({type(self)})")
6193 return r.get_derived_object()._get_jax()
6195 def _evaluate_jax(self):
6196 """Similar to evaluate(False), but using JAX.
6197 This is intended to be useful for testing purposes. It will likely
6198 not be particularly fast as it will copy the IMP Model and
6199 jax.jit-compile the scoring function each time."""
6201 ji = self._get_jax()
6202 jm = ji.get_jax_model()
6203 j = jax.jit(ji.score_func)
6206 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
6207 def __disown__(self):
6209 _IMP_kernel.disown_ScoringFunction(self)
6210 return weakref.proxy(self)
6213 r"""do_destroy(ScoringFunction self)"""
6214 return _IMP_kernel.ScoringFunction_do_destroy(self)
6216 def handle_set_has_required_score_states(self, arg0):
6217 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
6218 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
6220 def do_get_inputs(self):
6221 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
6222 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
6224 def do_get_interactions(self):
6225 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
6226 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
6229 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
6233 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
6234 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
6236 return _IMP_kernel.create_decomposition(*args)
6237 class _ScoringFunctionAdaptor(_InputAdaptor):
6238 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
6240 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6241 __repr__ = _swig_repr
6243 def __init__(self, *args):
6245 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
6246 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
6247 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
6248 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
6249 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
6251 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
6252 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
6255 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
6258 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
6259 return _IMP_kernel.show_restraint_hierarchy(*args)
6260 class Undecorator(
Object):
6261 r"""Proxy of C++ IMP::Undecorator class."""
6263 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6265 def __init__(self, m, name):
6266 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
6267 if self.__class__ == Undecorator:
6271 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
6273 if self.__class__ != Undecorator:
6274 _director_objects.register(self)
6279 def teardown(self, pi):
6280 r"""teardown(Undecorator self, ParticleIndex pi)"""
6281 return _IMP_kernel.Undecorator_teardown(self, pi)
6284 r"""__str__(Undecorator self) -> std::string"""
6285 return _IMP_kernel.Undecorator___str__(self)
6288 r"""__repr__(Undecorator self) -> std::string"""
6289 return _IMP_kernel.Undecorator___repr__(self)
6293 return _object_cast_to_Undecorator(o)
6296 def do_show(self, out):
6301 return _object_cast_to_Undecorator(o)
6303 __swig_destroy__ = _IMP_kernel.delete_Undecorator
6304 def __disown__(self):
6306 _IMP_kernel.disown_Undecorator(self)
6307 return weakref.proxy(self)
6310 r"""do_destroy(Undecorator self)"""
6311 return _IMP_kernel.Undecorator_do_destroy(self)
6314 _IMP_kernel.Undecorator_swigregister(Undecorator)
6316 r"""Proxy of C++ IMP::Model class."""
6318 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6320 def __init__(self, *args):
6321 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
6322 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
6324 if self
not in _models_set:
6325 _models_set.add(self)
6330 def clear_particle_caches(self, pi):
6331 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
6332 return _IMP_kernel.Model_clear_particle_caches(self, pi)
6335 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
6336 return _IMP_kernel.Model_add_particle(self, name)
6338 def get_particle_name(self, pi):
6339 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
6340 return _IMP_kernel.Model_get_particle_name(self, pi)
6342 def add_undecorator(self, pi, d):
6343 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
6344 return _IMP_kernel.Model_add_undecorator(self, pi, d)
6346 def get_dependent_restraints_uncached(self, pi):
6347 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
6348 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
6350 def get_dependent_particles_uncached(self, pi):
6351 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
6352 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
6354 def get_dependent_score_states_uncached(self, pi):
6355 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
6356 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
6357 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)
6358 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
6359 def __del_score_states(self): _list_util.del_varlist(self.score_states)
6360 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
6362 def remove_score_state(self, d):
6363 r"""remove_score_state(Model self, ScoreState d)"""
6364 return _IMP_kernel.Model_remove_score_state(self, d)
6366 def _python_index_score_state(self, d, start, stop):
6367 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
6368 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
6370 def remove_score_states(self, d):
6371 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
6372 return _IMP_kernel.Model_remove_score_states(self, d)
6374 def set_score_states(self, ps):
6375 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
6376 return _IMP_kernel.Model_set_score_states(self, ps)
6378 def set_score_states_order(self, objs):
6379 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
6380 return _IMP_kernel.Model_set_score_states_order(self, objs)
6382 def add_score_state(self, obj):
6383 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
6384 return _IMP_kernel.Model_add_score_state(self, obj)
6386 def add_score_states(self, objs):
6387 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
6388 return _IMP_kernel.Model_add_score_states(self, objs)
6390 def clear_score_states(self):
6391 r"""clear_score_states(Model self)"""
6392 return _IMP_kernel.Model_clear_score_states(self)
6394 def get_number_of_score_states(self):
6395 r"""get_number_of_score_states(Model self) -> unsigned int"""
6396 return _IMP_kernel.Model_get_number_of_score_states(self)
6398 def get_has_score_states(self):
6399 r"""get_has_score_states(Model self) -> bool"""
6400 return _IMP_kernel.Model_get_has_score_states(self)
6402 def get_score_state(self, i):
6403 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
6404 return _IMP_kernel.Model_get_score_state(self, i)
6406 def get_score_states(self):
6407 r"""get_score_states(Model self) -> IMP::ScoreStates"""
6408 return _IMP_kernel.Model_get_score_states(self)
6410 def erase_score_state(self, i):
6411 r"""erase_score_state(Model self, unsigned int i)"""
6412 return _IMP_kernel.Model_erase_score_state(self, i)
6414 def reserve_score_states(self, sz):
6415 r"""reserve_score_states(Model self, unsigned int sz)"""
6416 return _IMP_kernel.Model_reserve_score_states(self, sz)
6419 r"""update(Model self)"""
6420 return _IMP_kernel.Model_update(self)
6422 def get_ordered_score_states(self):
6423 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
6424 return _IMP_kernel.Model_get_ordered_score_states(self)
6426 def add_cache_attribute(self, *args):
6428 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6429 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6430 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6431 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6432 add_cache_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6433 add_cache_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6434 add_cache_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6435 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6436 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6437 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6438 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6439 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6440 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6442 return _IMP_kernel.Model_add_cache_attribute(self, *args)
6444 def add_attribute(self, *args):
6446 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6447 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6448 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6449 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6450 add_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6451 add_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6452 add_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6453 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6454 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6455 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6456 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6457 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6458 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6459 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6460 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6461 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6462 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6464 return _IMP_kernel.Model_add_attribute(self, *args)
6466 def remove_attribute(self, *args):
6468 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
6469 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
6470 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
6471 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
6472 remove_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle)
6473 remove_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle)
6474 remove_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle)
6475 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
6476 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
6477 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
6478 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
6479 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
6480 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
6481 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
6482 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
6483 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
6484 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
6486 return _IMP_kernel.Model_remove_attribute(self, *args)
6488 def get_has_attribute(self, *args):
6490 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
6491 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
6492 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
6493 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
6494 get_has_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> bool
6495 get_has_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> bool
6496 get_has_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> bool
6497 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
6498 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
6499 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
6500 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6501 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
6502 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
6503 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
6504 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
6505 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
6506 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
6508 return _IMP_kernel.Model_get_has_attribute(self, *args)
6510 def set_attribute(self, *args):
6512 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6513 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
6514 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
6515 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, Vector3D value)
6516 set_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle, Vector4D value)
6517 set_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D value)
6518 set_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D value)
6519 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
6520 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
6521 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
6522 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6523 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
6524 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
6525 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
6526 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
6527 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
6528 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
6530 return _IMP_kernel.Model_set_attribute(self, *args)
6532 def get_attribute(self, *args):
6534 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6535 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
6536 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
6537 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> Vector3D
6538 get_attribute(Model self, Vector4DKey attribute_key, ParticleIndex particle) -> Vector4D
6539 get_attribute(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle) -> Vector3D
6540 get_attribute(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle) -> Vector4D
6541 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
6542 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
6543 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
6544 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6545 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
6546 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
6547 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
6548 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
6549 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
6550 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
6552 return _IMP_kernel.Model_get_attribute(self, *args)
6554 def set_is_optimized(self, *args):
6556 set_is_optimized(Model self, Vector3DDerivKey arg2, ParticleIndex arg3, bool arg4)
6557 set_is_optimized(Model self, Vector4DDerivKey arg2, ParticleIndex arg3, bool arg4)
6558 set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)
6560 return _IMP_kernel.Model_set_is_optimized(self, *args)
6562 def add_to_derivative(self, *args):
6564 add_to_derivative(Model self, Vector3DDerivKey attribute_key, ParticleIndex particle, Vector3D v, DerivativeAccumulator da)
6565 add_to_derivative(Model self, Vector4DDerivKey attribute_key, ParticleIndex particle, Vector4D v, DerivativeAccumulator da)
6566 add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)
6568 return _IMP_kernel.Model_add_to_derivative(self, *args)
6570 def get_particle(self, p):
6571 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
6572 return _IMP_kernel.Model_get_particle(self, p)
6574 def get_has_particle(self, p):
6575 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
6576 return _IMP_kernel.Model_get_has_particle(self, p)
6579 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
6580 return _IMP_kernel.Model_get_particle_indexes(self)
6582 def get_model_objects(self):
6583 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
6584 return _IMP_kernel.Model_get_model_objects(self)
6586 def remove_particle(self, pi):
6587 r"""remove_particle(Model self, ParticleIndex pi)"""
6588 return _IMP_kernel.Model_remove_particle(self, pi)
6590 def add_data(self, mk, o):
6591 r"""add_data(Model self, ModelKey mk, Object o)"""
6592 return _IMP_kernel.Model_add_data(self, mk, o)
6594 def get_data(self, mk):
6595 r"""get_data(Model self, ModelKey mk) -> Object"""
6596 return _IMP_kernel.Model_get_data(self, mk)
6598 def remove_data(self, mk):
6599 r"""remove_data(Model self, ModelKey mk)"""
6600 return _IMP_kernel.Model_remove_data(self, mk)
6602 def get_has_data(self, mk):
6603 r"""get_has_data(Model self, ModelKey mk) -> bool"""
6604 return _IMP_kernel.Model_get_has_data(self, mk)
6607 r"""get_age(Model self) -> unsigned int"""
6608 return _IMP_kernel.Model_get_age(self)
6610 def get_trigger_last_updated(self, tk):
6611 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
6612 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
6614 def set_trigger_updated(self, tk):
6615 r"""set_trigger_updated(Model self, TriggerKey tk)"""
6616 return _IMP_kernel.Model_set_trigger_updated(self, tk)
6618 def get_dependencies_updated(self):
6619 r"""get_dependencies_updated(Model self) -> unsigned int"""
6620 return _IMP_kernel.Model_get_dependencies_updated(self)
6622 def get_removed_particles_attributes_age(self):
6623 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
6624 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
6626 def save_dependencies(self):
6627 r"""save_dependencies(Model self)"""
6628 return _IMP_kernel.Model_save_dependencies(self)
6630 def restore_dependencies(self):
6631 r"""restore_dependencies(Model self)"""
6632 return _IMP_kernel.Model_restore_dependencies(self)
6634 def get_particles_size(self):
6635 r"""get_particles_size(Model self) -> unsigned int"""
6636 return _IMP_kernel.Model_get_particles_size(self)
6638 def get_unique_id(self):
6639 r"""get_unique_id(Model self) -> uint32_t"""
6640 return _IMP_kernel.Model_get_unique_id(self)
6643 def get_by_unique_id(id):
6644 r"""get_by_unique_id(uint32_t id) -> Model"""
6645 return _IMP_kernel.Model_get_by_unique_id(id)
6648 r"""get_version_info(Model self) -> VersionInfo"""
6649 return _IMP_kernel.Model_get_version_info(self)
6650 __swig_destroy__ = _IMP_kernel.delete_Model
6652 r"""__del__(Model self)"""
6654 _director_objects.cleanup()
6661 r"""do_destroy(Model self)"""
6662 return _IMP_kernel.Model_do_destroy(self)
6665 r"""__str__(Model self) -> std::string"""
6666 return _IMP_kernel.Model___str__(self)
6669 r"""__repr__(Model self) -> std::string"""
6670 return _IMP_kernel.Model___repr__(self)
6674 return _object_cast_to_Model(o)
6677 def _get_as_binary(self):
6678 r"""_get_as_binary(Model self) -> PyObject *"""
6679 return _IMP_kernel.Model__get_as_binary(self)
6681 def _set_from_binary(self, p):
6682 r"""_set_from_binary(Model self, PyObject * p)"""
6683 return _IMP_kernel.Model__set_from_binary(self, p)
6685 def __getstate__(self):
6686 p = self._get_as_binary()
6687 if len(self.__dict__) > 1:
6688 d = self.__dict__.copy()
6693 def __setstate__(self, p):
6694 if not hasattr(self,
'this'):
6696 if isinstance(p, tuple):
6698 self.__dict__.update(d)
6699 return self._set_from_binary(p)
6703 """Get the model's attribute array for IntKey k as a NumPy array.
6704 The array is indexed by ParticleIndex; particles that don't have
6705 this attribute will either be off the end of the array or will have
6707 This is a NumPy view that shares memory with the Model. Thus,
6708 any changes to values in this list will be reflected in the Model.
6709 Also, if the Model attribute array moves in memory (e.g. if particles
6710 or attributes are added) this array will be invalidated, so it is
6711 unsafe to keep it around long term.
6712 If read_only is set True, values in the array cannot be changed.
6714 return _get_ints_numpy(self, k, self, read_only)
6717 """Get the model's attribute array for any type of Key
6718 k as a NumPy array. See Model::get_ints_numpy() for more details."""
6719 _numpy_meth_map = {IntKey: _get_ints_numpy,
6720 FloatKey: _get_floats_numpy,
6721 Vector3DKey: _get_vector3ds_numpy,
6722 Vector3DDerivKey: _get_vector3dderiv_numpy,
6723 Vector4DKey: _get_vector4ds_numpy,
6724 Vector4DDerivKey: _get_vector4dderiv_numpy}
6725 return _numpy_meth_map[type(k)](self, k, self, read_only)
6728 """Get the model's attribute array for FloatKey k as a NumPy array.
6729 See Model::get_ints_numpy() for more details."""
6730 return _get_floats_numpy(self, k, self, read_only)
6733 """Get the model's attribute derivatives array for key k
6734 as a NumPy array. See Model::get_ints_numpy() for more details."""
6736 FloatKey: _get_derivatives_numpy,
6737 Vector3DDerivKey: _get_vector3dderiv_derivatives_numpy,
6738 Vector4DDerivKey: _get_vector4dderiv_derivatives_numpy}
6739 return _numpy_meth_map[type(k)](self, k, self, read_only)
6742 """Get the model's attribute array for Vector3DKey k as a NumPy array.
6743 See Model::get_ints_numpy() for more details."""
6744 return _get_vector3ds_numpy(self, k, self, read_only)
6747 """Get the model's XYZR attribute arrays as NumPy arrays.
6748 The attribute arrays for Cartesian coordinates and radii are
6749 stored separately from those for other FloatKeys. This function
6750 returns a tuple of two NumPy arrays, the first of coordinates and
6751 the second of radii. See Model::get_ints_numpy() for more details."""
6752 return _get_spheres_numpy(self, self, read_only)
6755 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
6756 See Model::get_ints_numpy() for more details."""
6757 return _get_sphere_derivatives_numpy(self, self, read_only)
6760 """Get the model's internal coordinate array as a NumPy array.
6761 The attribute arrays for rigid body internal coordinates are
6762 stored separately from those for other FloatKeys.
6763 See Model::get_ints_numpy() for more details."""
6764 return _get_internal_coordinates_numpy(self, self, read_only)
6767 """Get the model's internal coordinate derivative array as a
6769 See Model::get_ints_numpy() for more details."""
6770 return _get_internal_coordinate_derivatives_numpy(
6771 self, self, read_only)
6775 _IMP_kernel.Model_swigregister(Model)
6777 r"""Proxy of C++ IMP::Decorator class."""
6779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6780 __repr__ = _swig_repr
6782 def __init__(self, p):
6783 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
6784 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
6786 def __ne__(self, o):
6787 r"""__ne__(Decorator self, Object o) -> bool"""
6788 return _IMP_kernel.Decorator___ne__(self, o)
6790 def __lt__(self, o):
6791 r"""__lt__(Decorator self, Object o) -> bool"""
6792 return _IMP_kernel.Decorator___lt__(self, o)
6794 def __gt__(self, o):
6795 r"""__gt__(Decorator self, Object o) -> bool"""
6796 return _IMP_kernel.Decorator___gt__(self, o)
6798 def __ge__(self, o):
6799 r"""__ge__(Decorator self, Object o) -> bool"""
6800 return _IMP_kernel.Decorator___ge__(self, o)
6802 def __le__(self, o):
6803 r"""__le__(Decorator self, Object o) -> bool"""
6804 return _IMP_kernel.Decorator___le__(self, o)
6807 r"""get_particle(Decorator self) -> Particle"""
6808 return _IMP_kernel.Decorator_get_particle(self)
6810 def get_particle_index(self):
6811 r"""get_particle_index(Decorator self) -> ParticleIndex"""
6812 return _IMP_kernel.Decorator_get_particle_index(self)
6814 def get_model(self):
6815 m = _IMP_kernel.Decorator_get_model(self)
6816 if m
in _models_set:
6817 m = _models_set_get(m)
6822 def get_is_valid(self):
6823 r"""get_is_valid(Decorator self) -> bool"""
6824 return _IMP_kernel.Decorator_get_is_valid(self)
6827 r"""__hash__(Decorator self) -> std::size_t"""
6828 return _IMP_kernel.Decorator___hash__(self)
6830 def __eq__(self, *args):
6832 __eq__(Decorator self, Object o) -> bool
6833 __eq__(Decorator self, Decorator o) -> bool
6834 __eq__(Decorator self, Particle o) -> bool
6836 return _IMP_kernel.Decorator___eq__(self, *args)
6839 r"""__bool__(Decorator self) -> bool"""
6840 return _IMP_kernel.Decorator___bool__(self)
6841 __swig_destroy__ = _IMP_kernel.delete_Decorator
6844 _IMP_kernel.Decorator_swigregister(Decorator)
6846 def check_particle(m, pi):
6847 r"""check_particle(Model m, ParticleIndex pi)"""
6848 return _IMP_kernel.check_particle(m, pi)
6850 r"""Proxy of C++ IMP::UnaryFunction class."""
6852 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6854 def __init__(self, *args):
6855 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
6856 if self.__class__ == UnaryFunction:
6860 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
6862 if self.__class__ != UnaryFunction:
6863 _director_objects.register(self)
6868 def evaluate(self, feature):
6869 r"""evaluate(UnaryFunction self, double feature) -> double"""
6870 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
6872 def evaluate_with_derivative(self, feature):
6873 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
6874 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
6875 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
6878 r"""__str__(UnaryFunction self) -> std::string"""
6879 return _IMP_kernel.UnaryFunction___str__(self)
6882 r"""__repr__(UnaryFunction self) -> std::string"""
6883 return _IMP_kernel.UnaryFunction___repr__(self)
6887 return _object_cast_to_UnaryFunction(o)
6890 def do_show(self, out):
6895 return _object_cast_to_UnaryFunction(o)
6899 """Return a JAX implementation of this UnaryFunction.
6900 Implement this method in a UnaryFunction subclass to provide
6901 an equivalent function using [JAX](https://docs.jax.dev/)
6902 that scores the provided feature value.
6904 raise NotImplementedError(
6905 f
"No JAX implementation for {self} ({type(self)})")
6907 def __disown__(self):
6909 _IMP_kernel.disown_UnaryFunction(self)
6910 return weakref.proxy(self)
6913 r"""do_destroy(UnaryFunction self)"""
6914 return _IMP_kernel.UnaryFunction_do_destroy(self)
6917 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
6919 r"""Proxy of C++ IMP::OptimizerState class."""
6921 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6923 def __init__(self, *args):
6925 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
6926 __init__(OptimizerState self) -> OptimizerState
6928 if self.__class__ == OptimizerState:
6932 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
6934 if self.__class__ != OptimizerState:
6935 _director_objects.register(self)
6941 r"""update(OptimizerState self)"""
6942 return _IMP_kernel.OptimizerState_update(self)
6944 def set_is_optimizing(self, arg0):
6945 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
6946 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
6948 def get_optimizer(self):
6949 r"""get_optimizer(OptimizerState self) -> Optimizer"""
6950 return _IMP_kernel.OptimizerState_get_optimizer(self)
6952 def set_period(self, p):
6953 r"""set_period(OptimizerState self, unsigned int p)"""
6954 return _IMP_kernel.OptimizerState_set_period(self, p)
6956 def get_period(self):
6957 r"""get_period(OptimizerState self) -> unsigned int"""
6958 return _IMP_kernel.OptimizerState_get_period(self)
6961 r"""reset(OptimizerState self)"""
6962 return _IMP_kernel.OptimizerState_reset(self)
6964 def update_always(self):
6965 r"""update_always(OptimizerState self)"""
6966 return _IMP_kernel.OptimizerState_update_always(self)
6968 def get_number_of_updates(self):
6969 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
6970 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
6972 def set_number_of_updates(self, n):
6973 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
6974 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
6975 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
6977 def do_update(self, arg0):
6978 r"""do_update(OptimizerState self, unsigned int arg0)"""
6979 return _IMP_kernel.OptimizerState_do_update(self, arg0)
6981 def do_set_is_optimizing(self, arg0):
6982 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
6983 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
6985 def do_get_inputs(self):
6986 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6987 return _IMP_kernel.OptimizerState_do_get_inputs(self)
6989 def do_get_outputs(self):
6990 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6991 return _IMP_kernel.OptimizerState_do_get_outputs(self)
6994 r"""__str__(OptimizerState self) -> std::string"""
6995 return _IMP_kernel.OptimizerState___str__(self)
6998 r"""__repr__(OptimizerState self) -> std::string"""
6999 return _IMP_kernel.OptimizerState___repr__(self)
7003 return _object_cast_to_OptimizerState(o)
7006 def do_show(self, out):
7011 return _object_cast_to_OptimizerState(o)
7014 def _get_jax(self, state_index):
7015 """Add JAX support for this OptimizerState.
7017 Each OptimizerState must explicitly support how it is going to
7018 be called when the Optimizer is run via JAX.
7020 OptimizerStates can run as traditional IMP CPU code
7021 on the IMP Model object, in which case None should be returned here.
7022 The Optimizer will sync any necessary information from JAX back
7023 with the IMP Model before calling the OptimizerState. However,
7024 the OptimizerState is not permitted to modify the Model; any
7025 changes will not be propagated back to the Optimizer.
7026 (For example, a thermostat which tries to change particle
7027 velocities will not function correctly.)
7029 Alternatively, a pure JAX implementation can be provided.
7030 See _wrap_jax for more information.
7032 raise NotImplementedError(
7033 f
"No JAX implementation for {self} ({type(self)})")
7035 def _wrap_jax(self, init_func, apply_func):
7036 """Create the return value for _get_jax.
7037 Use this method in _get_jax() to wrap the JAX function
7038 with other OptimizerState-specific information.
7040 @param init_func a JAX function which, given a JAX Optimizer,
7041 does any necessary setup and returns a (possibly modified)
7042 JAX Optimizer. If any OptimizerState-specific
7043 persistent state is needed, it can be stored in
7044 `opt.optimizer_states[state_index]` and later retrieved or
7045 modified in apply_func.
7046 @param apply_func a JAX function which, given a JAX Optimizer,
7047 does the JAX equivalent of do_update() and returns a new
7050 from IMP._jax_util
import JAXOptimizerStateInfo
7051 return JAXOptimizerStateInfo(self, init_func, apply_func)
7053 def __disown__(self):
7055 _IMP_kernel.disown_OptimizerState(self)
7056 return weakref.proxy(self)
7059 r"""do_destroy(OptimizerState self)"""
7060 return _IMP_kernel.OptimizerState_do_destroy(self)
7062 def handle_set_has_required_score_states(self, arg0):
7063 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
7064 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
7066 def do_get_interactions(self):
7067 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
7068 return _IMP_kernel.OptimizerState_do_get_interactions(self)
7071 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
7073 r"""Proxy of C++ IMP::Refiner class."""
7075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7077 def __init__(self, *args):
7078 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
7079 if self.__class__ == Refiner:
7083 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
7085 if self.__class__ != Refiner:
7086 _director_objects.register(self)
7091 def get_can_refine(self, arg0):
7092 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
7093 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
7095 def get_refined_indexes(self, m, pi):
7096 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
7097 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
7099 def get_refined_indexes_by_ref(self, m, pi):
7100 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7101 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
7103 def get_is_by_ref_supported(self):
7104 r"""get_is_by_ref_supported(Refiner self) -> bool"""
7105 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
7107 def get_refined(self, *args):
7109 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
7110 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
7112 return _IMP_kernel.Refiner_get_refined(self, *args)
7114 def get_number_of_refined(self, a):
7115 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
7116 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
7119 r"""__str__(Refiner self) -> std::string"""
7120 return _IMP_kernel.Refiner___str__(self)
7123 r"""__repr__(Refiner self) -> std::string"""
7124 return _IMP_kernel.Refiner___repr__(self)
7128 return _object_cast_to_Refiner(o)
7131 def do_show(self, out):
7136 return _object_cast_to_Refiner(o)
7138 __swig_destroy__ = _IMP_kernel.delete_Refiner
7139 def __disown__(self):
7141 _IMP_kernel.disown_Refiner(self)
7142 return weakref.proxy(self)
7144 def do_get_inputs(self, m, pis):
7145 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7146 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
7149 r"""do_destroy(Refiner self)"""
7150 return _IMP_kernel.Refiner_do_destroy(self)
7153 _IMP_kernel.Refiner_swigregister(Refiner)
7155 r"""Proxy of C++ IMP::Optimizer class."""
7157 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7159 def set_is_optimizing_states(self, tf):
7160 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
7161 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
7163 def get_optimizer_state_inputs(self):
7164 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7165 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
7167 def do_get_inputs(self):
7168 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7169 return _IMP_kernel.Optimizer_do_get_inputs(self)
7171 def do_get_outputs(self):
7172 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
7173 return _IMP_kernel.Optimizer_do_get_outputs(self)
7175 def __init__(self, *args):
7177 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
7178 __init__(Optimizer self) -> Optimizer
7180 if self.__class__ == Optimizer:
7184 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
7186 if self.__class__ != Optimizer:
7187 _director_objects.register(self)
7192 def optimize(self, max_steps):
7193 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
7194 return _IMP_kernel.Optimizer_optimize(self, max_steps)
7196 def set_stop_on_good_score(self, tf):
7197 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
7198 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
7200 def get_stop_on_good_score(self):
7201 r"""get_stop_on_good_score(Optimizer self) -> bool"""
7202 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
7204 def get_last_score(self):
7205 r"""get_last_score(Optimizer self) -> double"""
7206 return _IMP_kernel.Optimizer_get_last_score(self)
7208 def get_scoring_function(self):
7209 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
7210 return _IMP_kernel.Optimizer_get_scoring_function(self)
7211 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)
7212 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
7213 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
7214 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
7216 def remove_optimizer_state(self, d):
7217 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
7218 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
7220 def _python_index_optimizer_state(self, d, start, stop):
7221 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
7222 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
7224 def remove_optimizer_states(self, d):
7225 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
7226 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
7228 def set_optimizer_states(self, ps):
7229 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
7230 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
7232 def set_optimizer_states_order(self, objs):
7233 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
7234 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
7236 def add_optimizer_state(self, obj):
7237 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
7238 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
7240 def add_optimizer_states(self, objs):
7241 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
7242 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
7244 def clear_optimizer_states(self):
7245 r"""clear_optimizer_states(Optimizer self)"""
7246 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
7248 def get_number_of_optimizer_states(self):
7249 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
7250 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
7252 def get_has_optimizer_states(self):
7253 r"""get_has_optimizer_states(Optimizer self) -> bool"""
7254 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
7256 def get_optimizer_state(self, i):
7257 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
7258 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
7260 def get_optimizer_states(self):
7261 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
7262 return _IMP_kernel.Optimizer_get_optimizer_states(self)
7264 def erase_optimizer_state(self, i):
7265 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
7266 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
7268 def reserve_optimizer_states(self, sz):
7269 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
7270 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
7272 def set_scoring_function(self, sf):
7273 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
7274 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
7275 __swig_destroy__ = _IMP_kernel.delete_Optimizer
7277 r"""__del__(Optimizer self)"""
7279 _director_objects.cleanup()
7285 def do_optimize(self, ns):
7286 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
7287 return _IMP_kernel.Optimizer_do_optimize(self, ns)
7289 def update_states(self):
7290 r"""update_states(Optimizer self)"""
7291 return _IMP_kernel.Optimizer_update_states(self)
7294 r"""__str__(Optimizer self) -> std::string"""
7295 return _IMP_kernel.Optimizer___str__(self)
7298 r"""__repr__(Optimizer self) -> std::string"""
7299 return _IMP_kernel.Optimizer___repr__(self)
7303 return _object_cast_to_Optimizer(o)
7306 def do_show(self, out):
7311 return _object_cast_to_Optimizer(o)
7313 def __disown__(self):
7315 _IMP_kernel.disown_Optimizer(self)
7316 return weakref.proxy(self)
7319 r"""do_destroy(Optimizer self)"""
7320 return _IMP_kernel.Optimizer_do_destroy(self)
7322 def handle_set_has_required_score_states(self, arg0):
7323 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
7324 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
7326 def do_get_interactions(self):
7327 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
7328 return _IMP_kernel.Optimizer_do_get_interactions(self)
7331 _IMP_kernel.Optimizer_swigregister(Optimizer)
7333 r"""Proxy of C++ IMP::AttributeOptimizer class."""
7335 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7337 def __init__(self, *args):
7339 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
7340 __init__(AttributeOptimizer self) -> AttributeOptimizer
7342 if self.__class__ == AttributeOptimizer:
7346 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
7348 if self.__class__ != AttributeOptimizer:
7349 _director_objects.register(self)
7354 def get_optimized_attributes(self):
7355 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
7356 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
7358 def set_value(self, fi, v):
7359 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
7360 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
7362 def get_value(self, fi):
7363 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7364 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
7366 def get_derivative(self, fi):
7367 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
7368 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
7370 def get_width(self, k):
7371 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
7372 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
7374 def set_scaled_value(self, fi, v):
7375 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
7376 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
7378 def get_scaled_value(self, fi):
7379 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
7380 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
7382 def get_scaled_derivative(self, fi):
7383 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
7384 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
7386 def clear_range_cache(self):
7387 r"""clear_range_cache(AttributeOptimizer self)"""
7388 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
7391 r"""__str__(AttributeOptimizer self) -> std::string"""
7392 return _IMP_kernel.AttributeOptimizer___str__(self)
7395 r"""__repr__(AttributeOptimizer self) -> std::string"""
7396 return _IMP_kernel.AttributeOptimizer___repr__(self)
7400 return _object_cast_to_AttributeOptimizer(o)
7403 def do_show(self, out):
7408 return _object_cast_to_AttributeOptimizer(o)
7410 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
7411 def __disown__(self):
7413 _IMP_kernel.disown_AttributeOptimizer(self)
7414 return weakref.proxy(self)
7417 r"""do_destroy(AttributeOptimizer self)"""
7418 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
7420 def handle_set_has_required_score_states(self, arg0):
7421 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
7422 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
7424 def do_get_inputs(self):
7425 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7426 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
7428 def do_get_outputs(self):
7429 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
7430 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
7432 def do_get_interactions(self):
7433 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
7434 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
7436 def do_optimize(self, ns):
7437 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
7438 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
7441 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
7443 r"""Proxy of C++ IMP::ConfigurationSet class."""
7445 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7447 def __init__(self, *args):
7448 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
7449 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
7451 def save_configuration(self):
7452 r"""save_configuration(ConfigurationSet self)"""
7453 return _IMP_kernel.ConfigurationSet_save_configuration(self)
7455 def get_number_of_configurations(self):
7456 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
7457 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
7459 def load_configuration(self, i):
7460 r"""load_configuration(ConfigurationSet self, int i)"""
7461 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
7463 def remove_configuration(self, i):
7464 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
7465 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
7467 def get_model(self):
7468 r"""get_model(ConfigurationSet self) -> Model"""
7469 return _IMP_kernel.ConfigurationSet_get_model(self)
7472 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
7473 return _IMP_kernel.ConfigurationSet_get_version_info(self)
7474 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
7477 r"""__str__(ConfigurationSet self) -> std::string"""
7478 return _IMP_kernel.ConfigurationSet___str__(self)
7481 r"""__repr__(ConfigurationSet self) -> std::string"""
7482 return _IMP_kernel.ConfigurationSet___repr__(self)
7486 return _object_cast_to_ConfigurationSet(o)
7490 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
7492 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
7494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7496 def __init__(self, cs):
7497 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
7498 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
7501 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
7502 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
7503 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
7506 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7507 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
7510 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
7511 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
7515 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
7519 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
7521 r"""Proxy of C++ IMP::Configuration class."""
7523 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7525 def __init__(self, *args):
7527 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
7528 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
7529 __init__(Configuration self) -> Configuration
7531 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
7533 def load_configuration(self):
7534 r"""load_configuration(Configuration self)"""
7535 return _IMP_kernel.Configuration_load_configuration(self)
7537 def swap_configuration(self):
7538 r"""swap_configuration(Configuration self)"""
7539 return _IMP_kernel.Configuration_swap_configuration(self)
7542 r"""get_version_info(Configuration self) -> VersionInfo"""
7543 return _IMP_kernel.Configuration_get_version_info(self)
7544 __swig_destroy__ = _IMP_kernel.delete_Configuration
7547 r"""__str__(Configuration self) -> std::string"""
7548 return _IMP_kernel.Configuration___str__(self)
7551 r"""__repr__(Configuration self) -> std::string"""
7552 return _IMP_kernel.Configuration___repr__(self)
7556 return _object_cast_to_Configuration(o)
7559 def _get_as_binary(self):
7560 r"""_get_as_binary(Configuration self) -> PyObject *"""
7561 return _IMP_kernel.Configuration__get_as_binary(self)
7563 def _set_from_binary(self, p):
7564 r"""_set_from_binary(Configuration self, PyObject * p)"""
7565 return _IMP_kernel.Configuration__set_from_binary(self, p)
7567 def __getstate__(self):
7568 p = self._get_as_binary()
7569 if len(self.__dict__) > 1:
7570 d = self.__dict__.copy()
7575 def __setstate__(self, p):
7576 if not hasattr(self,
'this'):
7578 if isinstance(p, tuple):
7580 self.__dict__.update(d)
7581 return self._set_from_binary(p)
7585 _IMP_kernel.Configuration_swigregister(Configuration)
7587 r"""Proxy of C++ IMP::Sampler class."""
7589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7591 def __init__(self, *args):
7592 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
7593 if self.__class__ == Sampler:
7597 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
7599 if self.__class__ != Sampler:
7600 _director_objects.register(self)
7605 def create_sample(self):
7606 r"""create_sample(Sampler self) -> ConfigurationSet"""
7607 return _IMP_kernel.Sampler_create_sample(self)
7609 def get_scoring_function(self):
7610 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
7611 return _IMP_kernel.Sampler_get_scoring_function(self)
7613 def set_scoring_function(self, sf):
7614 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
7615 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
7617 def get_model(self):
7618 r"""get_model(Sampler self) -> Model"""
7619 return _IMP_kernel.Sampler_get_model(self)
7621 def do_sample(self):
7622 r"""do_sample(Sampler self) -> ConfigurationSet"""
7623 return _IMP_kernel.Sampler_do_sample(self)
7624 __swig_destroy__ = _IMP_kernel.delete_Sampler
7627 r"""__str__(Sampler self) -> std::string"""
7628 return _IMP_kernel.Sampler___str__(self)
7631 r"""__repr__(Sampler self) -> std::string"""
7632 return _IMP_kernel.Sampler___repr__(self)
7636 return _object_cast_to_Sampler(o)
7639 def do_show(self, out):
7644 return _object_cast_to_Sampler(o)
7646 def __disown__(self):
7648 _IMP_kernel.disown_Sampler(self)
7649 return weakref.proxy(self)
7652 r"""do_destroy(Sampler self)"""
7653 return _IMP_kernel.Sampler_do_destroy(self)
7656 _IMP_kernel.Sampler_swigregister(Sampler)
7658 r"""Proxy of C++ IMP::PairModifier class."""
7660 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7662 def __init__(self, *args):
7663 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
7664 if self.__class__ == PairModifier:
7668 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
7670 if self.__class__ != PairModifier:
7671 _director_objects.register(self)
7676 def apply_index(self, m, v):
7677 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
7678 return _IMP_kernel.PairModifier_apply_index(self, m, v)
7680 def apply_indexes(self, m, o, lower_bound, upper_bound):
7681 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7682 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7684 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7685 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)"""
7686 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7689 r"""__str__(PairModifier self) -> std::string"""
7690 return _IMP_kernel.PairModifier___str__(self)
7693 r"""__repr__(PairModifier self) -> std::string"""
7694 return _IMP_kernel.PairModifier___repr__(self)
7698 return _object_cast_to_PairModifier(o)
7701 def do_show(self, out):
7706 return _object_cast_to_PairModifier(o)
7708 __swig_destroy__ = _IMP_kernel.delete_PairModifier
7709 def __disown__(self):
7711 _IMP_kernel.disown_PairModifier(self)
7712 return weakref.proxy(self)
7714 def do_get_inputs(self, m, pis):
7715 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7716 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
7718 def do_get_outputs(self, m, pis):
7719 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7720 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
7723 r"""do_destroy(PairModifier self)"""
7724 return _IMP_kernel.PairModifier_do_destroy(self)
7727 _IMP_kernel.PairModifier_swigregister(PairModifier)
7729 r"""Proxy of C++ IMP::PairScore class."""
7731 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7733 def __init__(self, *args):
7734 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
7735 if self.__class__ == PairScore:
7739 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
7741 if self.__class__ != PairScore:
7742 _director_objects.register(self)
7747 def evaluate_index(self, m, vt, da):
7748 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
7749 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
7751 def check_indexes(self, m, pis):
7752 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7753 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
7755 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7756 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"""
7757 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7759 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7760 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"""
7761 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7763 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7764 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"""
7765 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7767 def evaluate_if_good_index(self, m, vt, da, max):
7768 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
7769 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
7771 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7772 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"""
7773 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7775 def create_current_decomposition(self, m, vt):
7776 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7777 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
7779 def do_create_current_decomposition(self, m, vt):
7780 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
7781 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
7782 __swig_destroy__ = _IMP_kernel.delete_PairScore
7785 r"""__str__(PairScore self) -> std::string"""
7786 return _IMP_kernel.PairScore___str__(self)
7789 r"""__repr__(PairScore self) -> std::string"""
7790 return _IMP_kernel.PairScore___repr__(self)
7794 return _object_cast_to_PairScore(o)
7797 def do_show(self, out):
7802 return _object_cast_to_PairScore(o)
7805 def _wrap_jax(self, m, score_func, keys=None):
7806 """Create the return value for _get_jax.
7807 Use this method in _get_jax() to wrap the JAX scoring function
7808 with other score-specific information.
7810 @param m The IMP.Model that the score will act on.
7811 @param score_func A function implemented using JAX that takes
7812 one argument (the current JAX Model) and returns the total
7814 @param keys Model attributes used by the PairScore.
7815 See IMP::Restraint::_wrap_jax.
7817 from IMP._jax_util
import JAXScoreInfo
7818 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7820 def _get_jax(self, m, indexes):
7821 """Return a JAX implementation of this PairScore.
7822 Implement this method in a PairScore subclass to provide
7823 an equivalent function using [JAX](https://docs.jax.dev/)
7824 that scores the current JAX Model with a given set of
7825 ParticlePairIndexes. See also _wrap_jax.
7827 @param m The IMP.Model that the score will act on.
7828 @param indexes The ParticlePairIndexes that the score will act on.
7830 raise NotImplementedError(
7831 f
"No JAX implementation for {self} ({type(self)})")
7833 def __disown__(self):
7835 _IMP_kernel.disown_PairScore(self)
7836 return weakref.proxy(self)
7838 def do_get_inputs(self, m, pis):
7839 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7840 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
7843 r"""do_destroy(PairScore self)"""
7844 return _IMP_kernel.PairScore_do_destroy(self)
7847 _IMP_kernel.PairScore_swigregister(PairScore)
7849 r"""Proxy of C++ IMP::PairPredicate class."""
7851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7853 def __init__(self, *args):
7854 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
7855 if self.__class__ == PairPredicate:
7859 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
7861 if self.__class__ != PairPredicate:
7862 _director_objects.register(self)
7867 def setup_for_get_value_index_in_batch(self, arg0):
7868 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
7869 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
7871 def get_value_index_in_batch(self, m, vt):
7872 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7873 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
7875 def __call__(self, m, vt):
7876 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
7877 return _IMP_kernel.PairPredicate___call__(self, m, vt)
7879 def get_value_index(self, *args):
7881 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
7882 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7884 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
7885 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
7888 r"""__str__(PairPredicate self) -> std::string"""
7889 return _IMP_kernel.PairPredicate___str__(self)
7892 r"""__repr__(PairPredicate self) -> std::string"""
7893 return _IMP_kernel.PairPredicate___repr__(self)
7897 return _object_cast_to_PairPredicate(o)
7900 def do_show(self, out):
7905 return _object_cast_to_PairPredicate(o)
7907 def __disown__(self):
7909 _IMP_kernel.disown_PairPredicate(self)
7910 return weakref.proxy(self)
7912 def do_get_inputs(self, m, pis):
7913 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7914 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
7917 r"""do_destroy(PairPredicate self)"""
7918 return _IMP_kernel.PairPredicate_do_destroy(self)
7921 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
7923 r"""Proxy of C++ IMP::PairContainer class."""
7925 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7927 def apply_generic(self, m):
7928 r"""apply_generic(PairContainer self, PairModifier m)"""
7929 return _IMP_kernel.PairContainer_apply_generic(self, m)
7931 def apply_generic_moved(self, m, moved_pis, reset_pis):
7932 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7933 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7935 def apply(self, sm):
7936 r"""apply(PairContainer self, PairModifier sm)"""
7937 return _IMP_kernel.PairContainer_apply(self, sm)
7939 def apply_moved(self, sm, moved_pis, reset_pis):
7940 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7941 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
7943 def get_range_indexes(self):
7944 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7945 return _IMP_kernel.PairContainer_get_range_indexes(self)
7947 def get_contents(self):
7948 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
7949 return _IMP_kernel.PairContainer_get_contents(self)
7952 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
7953 return _IMP_kernel.PairContainer_get_indexes(self)
7955 def get(self, *args):
7957 get(PairContainer self) -> IMP::ParticlePairsTemp
7958 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
7960 return _IMP_kernel.PairContainer_get(self, *args)
7962 def get_number(self):
7963 r"""get_number(PairContainer self) -> unsigned int"""
7964 return _IMP_kernel.PairContainer_get_number(self)
7966 def __init__(self, *args):
7968 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
7969 __init__(PairContainer self) -> PairContainer
7971 if self.__class__ == PairContainer:
7975 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
7977 if self.__class__ != PairContainer:
7978 _director_objects.register(self)
7983 def do_apply(self, sm):
7984 r"""do_apply(PairContainer self, PairModifier sm)"""
7985 return _IMP_kernel.PairContainer_do_apply(self, sm)
7987 def do_apply_moved(self, sm, moved_pis, reset_pis):
7988 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7989 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7991 def do_get_provides_access(self):
7992 r"""do_get_provides_access(PairContainer self) -> bool"""
7993 return _IMP_kernel.PairContainer_do_get_provides_access(self)
7994 __swig_destroy__ = _IMP_kernel.delete_PairContainer
7997 r"""__str__(PairContainer self) -> std::string"""
7998 return _IMP_kernel.PairContainer___str__(self)
8001 r"""__repr__(PairContainer self) -> std::string"""
8002 return _IMP_kernel.PairContainer___repr__(self)
8006 return _object_cast_to_PairContainer(o)
8009 def do_show(self, out):
8014 return _object_cast_to_PairContainer(o)
8016 def __disown__(self):
8018 _IMP_kernel.disown_PairContainer(self)
8019 return weakref.proxy(self)
8022 r"""do_destroy(PairContainer self)"""
8023 return _IMP_kernel.PairContainer_do_destroy(self)
8025 def handle_set_has_required_score_states(self, arg0):
8026 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
8027 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
8029 def do_get_inputs(self):
8030 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
8031 return _IMP_kernel.PairContainer_do_get_inputs(self)
8033 def do_get_interactions(self):
8034 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
8035 return _IMP_kernel.PairContainer_do_get_interactions(self)
8037 def do_get_contents_hash(self):
8038 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
8039 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
8042 _IMP_kernel.PairContainer_swigregister(PairContainer)
8043 class _PairContainerAdaptor(_InputAdaptor):
8044 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
8046 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8047 __repr__ = _swig_repr
8049 def __init__(self, *args):
8051 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
8052 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
8053 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
8055 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
8057 def set_name_if_default(self, name):
8058 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
8059 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
8060 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
8063 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
8065 r"""Proxy of C++ IMP::QuadModifier class."""
8067 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8069 def __init__(self, *args):
8070 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
8071 if self.__class__ == QuadModifier:
8075 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
8077 if self.__class__ != QuadModifier:
8078 _director_objects.register(self)
8083 def apply_index(self, m, v):
8084 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
8085 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
8087 def apply_indexes(self, m, o, lower_bound, upper_bound):
8088 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8089 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8091 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8092 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)"""
8093 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8096 r"""__str__(QuadModifier self) -> std::string"""
8097 return _IMP_kernel.QuadModifier___str__(self)
8100 r"""__repr__(QuadModifier self) -> std::string"""
8101 return _IMP_kernel.QuadModifier___repr__(self)
8105 return _object_cast_to_QuadModifier(o)
8108 def do_show(self, out):
8113 return _object_cast_to_QuadModifier(o)
8115 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
8116 def __disown__(self):
8118 _IMP_kernel.disown_QuadModifier(self)
8119 return weakref.proxy(self)
8121 def do_get_inputs(self, m, pis):
8122 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8123 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
8125 def do_get_outputs(self, m, pis):
8126 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8127 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
8130 r"""do_destroy(QuadModifier self)"""
8131 return _IMP_kernel.QuadModifier_do_destroy(self)
8134 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
8136 r"""Proxy of C++ IMP::QuadScore class."""
8138 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8140 def __init__(self, *args):
8141 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
8142 if self.__class__ == QuadScore:
8146 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
8148 if self.__class__ != QuadScore:
8149 _director_objects.register(self)
8154 def evaluate_index(self, m, vt, da):
8155 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
8156 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
8158 def check_indexes(self, m, pis):
8159 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8160 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
8162 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8163 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"""
8164 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8166 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8167 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"""
8168 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8170 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8171 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"""
8172 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8174 def evaluate_if_good_index(self, m, vt, da, max):
8175 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
8176 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
8178 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8179 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"""
8180 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8182 def create_current_decomposition(self, m, vt):
8183 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8184 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
8186 def do_create_current_decomposition(self, m, vt):
8187 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
8188 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
8189 __swig_destroy__ = _IMP_kernel.delete_QuadScore
8192 r"""__str__(QuadScore self) -> std::string"""
8193 return _IMP_kernel.QuadScore___str__(self)
8196 r"""__repr__(QuadScore self) -> std::string"""
8197 return _IMP_kernel.QuadScore___repr__(self)
8201 return _object_cast_to_QuadScore(o)
8204 def do_show(self, out):
8209 return _object_cast_to_QuadScore(o)
8211 def __disown__(self):
8213 _IMP_kernel.disown_QuadScore(self)
8214 return weakref.proxy(self)
8216 def do_get_inputs(self, m, pis):
8217 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8218 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
8221 r"""do_destroy(QuadScore self)"""
8222 return _IMP_kernel.QuadScore_do_destroy(self)
8225 _IMP_kernel.QuadScore_swigregister(QuadScore)
8227 r"""Proxy of C++ IMP::QuadPredicate class."""
8229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8231 def __init__(self, *args):
8232 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
8233 if self.__class__ == QuadPredicate:
8237 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
8239 if self.__class__ != QuadPredicate:
8240 _director_objects.register(self)
8245 def setup_for_get_value_index_in_batch(self, arg0):
8246 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
8247 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
8249 def get_value_index_in_batch(self, m, vt):
8250 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8251 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
8253 def __call__(self, m, vt):
8254 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
8255 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
8257 def get_value_index(self, *args):
8259 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
8260 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
8262 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
8263 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
8266 r"""__str__(QuadPredicate self) -> std::string"""
8267 return _IMP_kernel.QuadPredicate___str__(self)
8270 r"""__repr__(QuadPredicate self) -> std::string"""
8271 return _IMP_kernel.QuadPredicate___repr__(self)
8275 return _object_cast_to_QuadPredicate(o)
8278 def do_show(self, out):
8283 return _object_cast_to_QuadPredicate(o)
8285 def __disown__(self):
8287 _IMP_kernel.disown_QuadPredicate(self)
8288 return weakref.proxy(self)
8290 def do_get_inputs(self, m, pis):
8291 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8292 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
8295 r"""do_destroy(QuadPredicate self)"""
8296 return _IMP_kernel.QuadPredicate_do_destroy(self)
8299 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
8301 r"""Proxy of C++ IMP::QuadContainer class."""
8303 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8305 def apply_generic(self, m):
8306 r"""apply_generic(QuadContainer self, QuadModifier m)"""
8307 return _IMP_kernel.QuadContainer_apply_generic(self, m)
8309 def apply_generic_moved(self, m, moved_pis, reset_pis):
8310 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8311 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8313 def apply(self, sm):
8314 r"""apply(QuadContainer self, QuadModifier sm)"""
8315 return _IMP_kernel.QuadContainer_apply(self, sm)
8317 def apply_moved(self, sm, moved_pis, reset_pis):
8318 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8319 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
8321 def get_range_indexes(self):
8322 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8323 return _IMP_kernel.QuadContainer_get_range_indexes(self)
8325 def get_contents(self):
8326 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
8327 return _IMP_kernel.QuadContainer_get_contents(self)
8330 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
8331 return _IMP_kernel.QuadContainer_get_indexes(self)
8333 def get(self, *args):
8335 get(QuadContainer self) -> IMP::ParticleQuadsTemp
8336 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
8338 return _IMP_kernel.QuadContainer_get(self, *args)
8340 def get_number(self):
8341 r"""get_number(QuadContainer self) -> unsigned int"""
8342 return _IMP_kernel.QuadContainer_get_number(self)
8344 def __init__(self, *args):
8346 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
8347 __init__(QuadContainer self) -> QuadContainer
8349 if self.__class__ == QuadContainer:
8353 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
8355 if self.__class__ != QuadContainer:
8356 _director_objects.register(self)
8361 def do_apply(self, sm):
8362 r"""do_apply(QuadContainer self, QuadModifier sm)"""
8363 return _IMP_kernel.QuadContainer_do_apply(self, sm)
8365 def do_apply_moved(self, sm, moved_pis, reset_pis):
8366 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8367 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8369 def do_get_provides_access(self):
8370 r"""do_get_provides_access(QuadContainer self) -> bool"""
8371 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
8372 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
8375 r"""__str__(QuadContainer self) -> std::string"""
8376 return _IMP_kernel.QuadContainer___str__(self)
8379 r"""__repr__(QuadContainer self) -> std::string"""
8380 return _IMP_kernel.QuadContainer___repr__(self)
8384 return _object_cast_to_QuadContainer(o)
8387 def do_show(self, out):
8392 return _object_cast_to_QuadContainer(o)
8394 def __disown__(self):
8396 _IMP_kernel.disown_QuadContainer(self)
8397 return weakref.proxy(self)
8400 r"""do_destroy(QuadContainer self)"""
8401 return _IMP_kernel.QuadContainer_do_destroy(self)
8403 def handle_set_has_required_score_states(self, arg0):
8404 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
8405 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
8407 def do_get_inputs(self):
8408 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
8409 return _IMP_kernel.QuadContainer_do_get_inputs(self)
8411 def do_get_interactions(self):
8412 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
8413 return _IMP_kernel.QuadContainer_do_get_interactions(self)
8415 def do_get_contents_hash(self):
8416 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
8417 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
8420 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
8421 class _QuadContainerAdaptor(_InputAdaptor):
8422 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
8424 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8425 __repr__ = _swig_repr
8427 def __init__(self, *args):
8429 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
8430 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
8431 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
8433 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
8435 def set_name_if_default(self, name):
8436 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
8437 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
8438 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
8441 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
8443 r"""Proxy of C++ IMP::SingletonModifier class."""
8445 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8447 def __init__(self, *args):
8448 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
8449 if self.__class__ == SingletonModifier:
8453 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
8455 if self.__class__ != SingletonModifier:
8456 _director_objects.register(self)
8461 def apply_index(self, m, v):
8462 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
8463 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
8465 def apply_indexes(self, m, o, lower_bound, upper_bound):
8466 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8467 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8469 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8470 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)"""
8471 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8474 r"""__str__(SingletonModifier self) -> std::string"""
8475 return _IMP_kernel.SingletonModifier___str__(self)
8478 r"""__repr__(SingletonModifier self) -> std::string"""
8479 return _IMP_kernel.SingletonModifier___repr__(self)
8483 return _object_cast_to_SingletonModifier(o)
8486 def do_show(self, out):
8491 return _object_cast_to_SingletonModifier(o)
8494 def _wrap_jax(self, apply_func, keys=None):
8495 """Create the return value for _get_jax.
8496 Use this method in _get_jax() to wrap the JAX function
8497 with other modifier-specific information.
8499 @param apply_func A function implemented using JAX that takes
8500 one argument (the current JAX Model) and returns a new
8502 @param keys Model attributes used by the SingletonModifier.
8503 See IMP::Restraint::_wrap_jax.
8505 from IMP._jax_util
import JAXModifierInfo
8506 return JAXModifierInfo(apply_func=apply_func, keys=keys)
8508 def _get_jax(self, m, indexes):
8509 """Return a JAX implementation of this SingletonModifier.
8510 Implement this method in a SingletonModifier subclass to provide
8511 an equivalent function using [JAX](https://docs.jax.dev/)
8512 that modifies the current JAX Model. See also _wrap_jax.
8514 @param m The IMP.Model that the modifier will act on.
8515 @param indexes The ParticleIndexes that the modifier will act on.
8517 raise NotImplementedError(
8518 f
"No JAX implementation for {self} ({type(self)})")
8520 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
8521 def __disown__(self):
8523 _IMP_kernel.disown_SingletonModifier(self)
8524 return weakref.proxy(self)
8526 def do_get_inputs(self, m, pis):
8527 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8528 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
8530 def do_get_outputs(self, m, pis):
8531 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8532 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
8535 r"""do_destroy(SingletonModifier self)"""
8536 return _IMP_kernel.SingletonModifier_do_destroy(self)
8539 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
8541 r"""Proxy of C++ IMP::SingletonScore class."""
8543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8545 def __init__(self, *args):
8546 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
8547 if self.__class__ == SingletonScore:
8551 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
8553 if self.__class__ != SingletonScore:
8554 _director_objects.register(self)
8559 def evaluate_index(self, m, vt, da):
8560 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
8561 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
8563 def check_indexes(self, m, pis):
8564 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8565 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
8567 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8568 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"""
8569 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8571 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8572 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"""
8573 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8575 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8576 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"""
8577 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8579 def evaluate_if_good_index(self, m, vt, da, max):
8580 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
8581 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
8583 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8584 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"""
8585 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8587 def create_current_decomposition(self, m, vt):
8588 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8589 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
8591 def do_create_current_decomposition(self, m, vt):
8592 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
8593 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
8594 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
8597 r"""__str__(SingletonScore self) -> std::string"""
8598 return _IMP_kernel.SingletonScore___str__(self)
8601 r"""__repr__(SingletonScore self) -> std::string"""
8602 return _IMP_kernel.SingletonScore___repr__(self)
8606 return _object_cast_to_SingletonScore(o)
8609 def do_show(self, out):
8614 return _object_cast_to_SingletonScore(o)
8617 def _wrap_jax(self, m, score_func, keys=None):
8618 """See IMP::PairScore::_wrap_jax"""
8619 from IMP._jax_util
import JAXScoreInfo
8620 return JAXScoreInfo(m, score_func=score_func, keys=keys)
8622 def _get_jax(self, m, indexes):
8623 """See IMP::PairScore::_get_jax"""
8624 raise NotImplementedError(
8625 f
"No JAX implementation for {self} ({type(self)})")
8627 def __disown__(self):
8629 _IMP_kernel.disown_SingletonScore(self)
8630 return weakref.proxy(self)
8632 def do_get_inputs(self, m, pis):
8633 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8634 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
8637 r"""do_destroy(SingletonScore self)"""
8638 return _IMP_kernel.SingletonScore_do_destroy(self)
8641 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
8643 r"""Proxy of C++ IMP::SingletonPredicate class."""
8645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8647 def __init__(self, *args):
8648 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
8649 if self.__class__ == SingletonPredicate:
8653 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
8655 if self.__class__ != SingletonPredicate:
8656 _director_objects.register(self)
8661 def setup_for_get_value_index_in_batch(self, arg0):
8662 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
8663 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
8665 def get_value_index_in_batch(self, m, vt):
8666 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8667 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
8669 def __call__(self, m, vt):
8670 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
8671 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
8673 def get_value_index(self, *args):
8675 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
8676 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
8678 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
8679 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
8682 r"""__str__(SingletonPredicate self) -> std::string"""
8683 return _IMP_kernel.SingletonPredicate___str__(self)
8686 r"""__repr__(SingletonPredicate self) -> std::string"""
8687 return _IMP_kernel.SingletonPredicate___repr__(self)
8691 return _object_cast_to_SingletonPredicate(o)
8694 def do_show(self, out):
8699 return _object_cast_to_SingletonPredicate(o)
8701 def __disown__(self):
8703 _IMP_kernel.disown_SingletonPredicate(self)
8704 return weakref.proxy(self)
8706 def do_get_inputs(self, m, pis):
8707 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8708 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
8711 r"""do_destroy(SingletonPredicate self)"""
8712 return _IMP_kernel.SingletonPredicate_do_destroy(self)
8715 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
8717 r"""Proxy of C++ IMP::SingletonContainer class."""
8719 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8721 def apply_generic(self, m):
8722 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
8723 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
8725 def apply_generic_moved(self, m, moved_pis, reset_pis):
8726 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8727 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8729 def apply(self, sm):
8730 r"""apply(SingletonContainer self, SingletonModifier sm)"""
8731 return _IMP_kernel.SingletonContainer_apply(self, sm)
8733 def apply_moved(self, sm, moved_pis, reset_pis):
8734 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8735 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
8737 def get_range_indexes(self):
8738 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8739 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
8741 def get_contents(self):
8742 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
8743 return _IMP_kernel.SingletonContainer_get_contents(self)
8746 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
8747 return _IMP_kernel.SingletonContainer_get_indexes(self)
8749 def get(self, *args):
8751 get(SingletonContainer self) -> IMP::ParticlesTemp
8752 get(SingletonContainer self, unsigned int i) -> Particle
8754 return _IMP_kernel.SingletonContainer_get(self, *args)
8756 def get_number(self):
8757 r"""get_number(SingletonContainer self) -> unsigned int"""
8758 return _IMP_kernel.SingletonContainer_get_number(self)
8760 def __init__(self, *args):
8762 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
8763 __init__(SingletonContainer self) -> SingletonContainer
8765 if self.__class__ == SingletonContainer:
8769 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
8771 if self.__class__ != SingletonContainer:
8772 _director_objects.register(self)
8777 def do_apply(self, sm):
8778 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
8779 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
8781 def do_apply_moved(self, sm, moved_pis, reset_pis):
8782 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8783 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8785 def do_get_provides_access(self):
8786 r"""do_get_provides_access(SingletonContainer self) -> bool"""
8787 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
8788 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
8791 r"""__str__(SingletonContainer self) -> std::string"""
8792 return _IMP_kernel.SingletonContainer___str__(self)
8795 r"""__repr__(SingletonContainer self) -> std::string"""
8796 return _IMP_kernel.SingletonContainer___repr__(self)
8800 return _object_cast_to_SingletonContainer(o)
8803 def do_show(self, out):
8808 return _object_cast_to_SingletonContainer(o)
8810 def __disown__(self):
8812 _IMP_kernel.disown_SingletonContainer(self)
8813 return weakref.proxy(self)
8816 r"""do_destroy(SingletonContainer self)"""
8817 return _IMP_kernel.SingletonContainer_do_destroy(self)
8819 def handle_set_has_required_score_states(self, arg0):
8820 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
8821 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
8823 def do_get_inputs(self):
8824 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
8825 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
8827 def do_get_interactions(self):
8828 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
8829 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
8831 def do_get_contents_hash(self):
8832 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
8833 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
8836 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
8837 class _SingletonContainerAdaptor(_InputAdaptor):
8838 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
8840 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8841 __repr__ = _swig_repr
8843 def __init__(self, *args):
8845 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
8846 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
8847 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
8849 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
8851 def set_name_if_default(self, name):
8852 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
8853 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
8854 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
8857 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
8859 r"""Proxy of C++ IMP::TripletModifier class."""
8861 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8863 def __init__(self, *args):
8864 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
8865 if self.__class__ == TripletModifier:
8869 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
8871 if self.__class__ != TripletModifier:
8872 _director_objects.register(self)
8877 def apply_index(self, m, v):
8878 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
8879 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
8881 def apply_indexes(self, m, o, lower_bound, upper_bound):
8882 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
8883 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
8885 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
8886 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)"""
8887 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
8890 r"""__str__(TripletModifier self) -> std::string"""
8891 return _IMP_kernel.TripletModifier___str__(self)
8894 r"""__repr__(TripletModifier self) -> std::string"""
8895 return _IMP_kernel.TripletModifier___repr__(self)
8899 return _object_cast_to_TripletModifier(o)
8902 def do_show(self, out):
8907 return _object_cast_to_TripletModifier(o)
8909 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
8910 def __disown__(self):
8912 _IMP_kernel.disown_TripletModifier(self)
8913 return weakref.proxy(self)
8915 def do_get_inputs(self, m, pis):
8916 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8917 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
8919 def do_get_outputs(self, m, pis):
8920 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8921 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
8924 r"""do_destroy(TripletModifier self)"""
8925 return _IMP_kernel.TripletModifier_do_destroy(self)
8928 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
8930 r"""Proxy of C++ IMP::TripletScore class."""
8932 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8934 def __init__(self, *args):
8935 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
8936 if self.__class__ == TripletScore:
8940 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
8942 if self.__class__ != TripletScore:
8943 _director_objects.register(self)
8948 def evaluate_index(self, m, vt, da):
8949 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
8950 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
8952 def check_indexes(self, m, pis):
8953 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
8954 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
8956 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
8957 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"""
8958 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
8960 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8961 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"""
8962 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
8964 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
8965 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"""
8966 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
8968 def evaluate_if_good_index(self, m, vt, da, max):
8969 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
8970 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
8972 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8973 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"""
8974 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
8976 def create_current_decomposition(self, m, vt):
8977 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8978 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
8980 def do_create_current_decomposition(self, m, vt):
8981 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8982 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
8983 __swig_destroy__ = _IMP_kernel.delete_TripletScore
8986 r"""__str__(TripletScore self) -> std::string"""
8987 return _IMP_kernel.TripletScore___str__(self)
8990 r"""__repr__(TripletScore self) -> std::string"""
8991 return _IMP_kernel.TripletScore___repr__(self)
8995 return _object_cast_to_TripletScore(o)
8998 def do_show(self, out):
9003 return _object_cast_to_TripletScore(o)
9005 def __disown__(self):
9007 _IMP_kernel.disown_TripletScore(self)
9008 return weakref.proxy(self)
9010 def do_get_inputs(self, m, pis):
9011 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9012 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
9015 r"""do_destroy(TripletScore self)"""
9016 return _IMP_kernel.TripletScore_do_destroy(self)
9019 _IMP_kernel.TripletScore_swigregister(TripletScore)
9021 r"""Proxy of C++ IMP::TripletPredicate class."""
9023 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9025 def __init__(self, *args):
9026 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
9027 if self.__class__ == TripletPredicate:
9031 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
9033 if self.__class__ != TripletPredicate:
9034 _director_objects.register(self)
9039 def setup_for_get_value_index_in_batch(self, arg0):
9040 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
9041 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
9043 def get_value_index_in_batch(self, m, vt):
9044 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9045 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
9047 def __call__(self, m, vt):
9048 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
9049 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
9051 def get_value_index(self, *args):
9053 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
9054 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
9056 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
9057 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
9060 r"""__str__(TripletPredicate self) -> std::string"""
9061 return _IMP_kernel.TripletPredicate___str__(self)
9064 r"""__repr__(TripletPredicate self) -> std::string"""
9065 return _IMP_kernel.TripletPredicate___repr__(self)
9069 return _object_cast_to_TripletPredicate(o)
9072 def do_show(self, out):
9077 return _object_cast_to_TripletPredicate(o)
9079 def __disown__(self):
9081 _IMP_kernel.disown_TripletPredicate(self)
9082 return weakref.proxy(self)
9084 def do_get_inputs(self, m, pis):
9085 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9086 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
9089 r"""do_destroy(TripletPredicate self)"""
9090 return _IMP_kernel.TripletPredicate_do_destroy(self)
9093 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
9095 r"""Proxy of C++ IMP::TripletContainer class."""
9097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9099 def apply_generic(self, m):
9100 r"""apply_generic(TripletContainer self, TripletModifier m)"""
9101 return _IMP_kernel.TripletContainer_apply_generic(self, m)
9103 def apply_generic_moved(self, m, moved_pis, reset_pis):
9104 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9105 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
9107 def apply(self, sm):
9108 r"""apply(TripletContainer self, TripletModifier sm)"""
9109 return _IMP_kernel.TripletContainer_apply(self, sm)
9111 def apply_moved(self, sm, moved_pis, reset_pis):
9112 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9113 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
9115 def get_range_indexes(self):
9116 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9117 return _IMP_kernel.TripletContainer_get_range_indexes(self)
9119 def get_contents(self):
9120 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
9121 return _IMP_kernel.TripletContainer_get_contents(self)
9124 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
9125 return _IMP_kernel.TripletContainer_get_indexes(self)
9127 def get(self, *args):
9129 get(TripletContainer self) -> IMP::ParticleTripletsTemp
9130 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
9132 return _IMP_kernel.TripletContainer_get(self, *args)
9134 def get_number(self):
9135 r"""get_number(TripletContainer self) -> unsigned int"""
9136 return _IMP_kernel.TripletContainer_get_number(self)
9138 def __init__(self, *args):
9140 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
9141 __init__(TripletContainer self) -> TripletContainer
9143 if self.__class__ == TripletContainer:
9147 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
9149 if self.__class__ != TripletContainer:
9150 _director_objects.register(self)
9155 def do_apply(self, sm):
9156 r"""do_apply(TripletContainer self, TripletModifier sm)"""
9157 return _IMP_kernel.TripletContainer_do_apply(self, sm)
9159 def do_apply_moved(self, sm, moved_pis, reset_pis):
9160 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
9161 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
9163 def do_get_provides_access(self):
9164 r"""do_get_provides_access(TripletContainer self) -> bool"""
9165 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
9166 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
9169 r"""__str__(TripletContainer self) -> std::string"""
9170 return _IMP_kernel.TripletContainer___str__(self)
9173 r"""__repr__(TripletContainer self) -> std::string"""
9174 return _IMP_kernel.TripletContainer___repr__(self)
9178 return _object_cast_to_TripletContainer(o)
9181 def do_show(self, out):
9186 return _object_cast_to_TripletContainer(o)
9188 def __disown__(self):
9190 _IMP_kernel.disown_TripletContainer(self)
9191 return weakref.proxy(self)
9194 r"""do_destroy(TripletContainer self)"""
9195 return _IMP_kernel.TripletContainer_do_destroy(self)
9197 def handle_set_has_required_score_states(self, arg0):
9198 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
9199 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
9201 def do_get_inputs(self):
9202 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
9203 return _IMP_kernel.TripletContainer_do_get_inputs(self)
9205 def do_get_interactions(self):
9206 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
9207 return _IMP_kernel.TripletContainer_do_get_interactions(self)
9209 def do_get_contents_hash(self):
9210 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
9211 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
9214 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
9215 class _TripletContainerAdaptor(_InputAdaptor):
9216 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
9218 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9219 __repr__ = _swig_repr
9221 def __init__(self, *args):
9223 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
9224 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
9225 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
9227 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
9229 def set_name_if_default(self, name):
9230 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
9231 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
9232 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
9235 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
9238 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
9239 return _IMP_kernel.write_particles_to_buffer(particles, keys)
9242 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
9243 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
9246 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
9247 return _IMP_kernel.get_particles(m, ps)
9251 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
9252 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
9254 return _IMP_kernel.get_indexes(*args)
9255 class _ParticleIndexAdaptor(object):
9256 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
9258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9259 __repr__ = _swig_repr
9261 def __init__(self, *args):
9263 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
9264 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
9265 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
9267 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
9268 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
9271 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
9272 class _ParticleIndexesAdaptor(_InputAdaptor):
9273 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
9275 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9276 __repr__ = _swig_repr
9278 def __init__(self, *args):
9280 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
9281 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
9282 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
9284 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
9285 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
9288 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
9289 class _ParticleIndexPairsAdaptor(object):
9290 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
9292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9293 __repr__ = _swig_repr
9295 def __init__(self, *args):
9297 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
9298 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
9299 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
9301 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
9302 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
9305 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
9307 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
9309 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9311 def __init__(self, *args):
9313 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
9314 __init__(_ConstRestraint self) -> _ConstRestraint
9316 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
9318 def get_value(self):
9319 r"""get_value(_ConstRestraint self) -> double"""
9320 return _IMP_kernel._ConstRestraint_get_value(self)
9322 def do_create_decomposition(self):
9323 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
9324 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
9326 def do_get_inputs(self):
9327 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
9328 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
9331 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
9332 return _IMP_kernel._ConstRestraint_get_version_info(self)
9333 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
9336 r"""__str__(_ConstRestraint self) -> std::string"""
9337 return _IMP_kernel._ConstRestraint___str__(self)
9340 r"""__repr__(_ConstRestraint self) -> std::string"""
9341 return _IMP_kernel._ConstRestraint___repr__(self)
9345 return _object_cast_to__ConstRestraint(o)
9348 def _get_as_binary(self):
9349 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
9350 return _IMP_kernel._ConstRestraint__get_as_binary(self)
9352 def _set_from_binary(self, p):
9353 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
9354 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
9356 def __getstate__(self):
9357 p = self._get_as_binary()
9358 if len(self.__dict__) > 1:
9359 d = self.__dict__.copy()
9364 def __setstate__(self, p):
9365 if not hasattr(self,
'this'):
9367 if isinstance(p, tuple):
9369 self.__dict__.update(d)
9370 return self._set_from_binary(p)
9374 value = self.get_value()
9376 return self._wrap_jax(
lambda jm: value)
9380 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
9382 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
9384 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9386 def __init__(self, *args):
9388 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
9389 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
9391 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
9393 def get_value(self):
9394 r"""get_value(_ConstSingletonScore self) -> double"""
9395 return _IMP_kernel._ConstSingletonScore_get_value(self)
9397 def do_get_inputs(self, arg2, arg3):
9398 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9399 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
9401 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9402 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"""
9403 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9405 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9406 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"""
9407 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9409 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9410 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"""
9411 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9413 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9414 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"""
9415 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9418 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
9419 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
9420 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
9423 r"""__str__(_ConstSingletonScore self) -> std::string"""
9424 return _IMP_kernel._ConstSingletonScore___str__(self)
9427 r"""__repr__(_ConstSingletonScore self) -> std::string"""
9428 return _IMP_kernel._ConstSingletonScore___repr__(self)
9432 return _object_cast_to__ConstSingletonScore(o)
9435 def _get_as_binary(self):
9436 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
9437 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
9439 def _set_from_binary(self, p):
9440 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
9441 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
9443 def __getstate__(self):
9444 p = self._get_as_binary()
9445 if len(self.__dict__) > 1:
9446 d = self.__dict__.copy()
9451 def __setstate__(self, p):
9452 if not hasattr(self,
'this'):
9454 if isinstance(p, tuple):
9456 self.__dict__.update(d)
9457 return self._set_from_binary(p)
9460 def _get_jax(self, m, indexes):
9461 value = self.get_value()
9463 return self._wrap_jax(m,
lambda jm: value)
9467 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
9469 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
9471 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9473 def __init__(self, *args):
9475 __init__(_ConstPairScore self, double v) -> _ConstPairScore
9476 __init__(_ConstPairScore self) -> _ConstPairScore
9478 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
9480 def get_value(self):
9481 r"""get_value(_ConstPairScore self) -> double"""
9482 return _IMP_kernel._ConstPairScore_get_value(self)
9484 def do_get_inputs(self, arg2, arg3):
9485 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9486 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
9488 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9489 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"""
9490 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9492 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9493 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"""
9494 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9496 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9497 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"""
9498 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9500 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9501 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"""
9502 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9505 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
9506 return _IMP_kernel._ConstPairScore_get_version_info(self)
9507 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
9510 r"""__str__(_ConstPairScore self) -> std::string"""
9511 return _IMP_kernel._ConstPairScore___str__(self)
9514 r"""__repr__(_ConstPairScore self) -> std::string"""
9515 return _IMP_kernel._ConstPairScore___repr__(self)
9519 return _object_cast_to__ConstPairScore(o)
9522 def _get_as_binary(self):
9523 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
9524 return _IMP_kernel._ConstPairScore__get_as_binary(self)
9526 def _set_from_binary(self, p):
9527 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
9528 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
9530 def __getstate__(self):
9531 p = self._get_as_binary()
9532 if len(self.__dict__) > 1:
9533 d = self.__dict__.copy()
9538 def __setstate__(self, p):
9539 if not hasattr(self,
'this'):
9541 if isinstance(p, tuple):
9543 self.__dict__.update(d)
9544 return self._set_from_binary(p)
9547 def _get_jax(self, m, indexes):
9548 value = self.get_value()
9550 return self._wrap_jax(m,
lambda jm: value)
9554 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
9556 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
9558 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9560 def __init__(self, *args):
9562 __init__(_TrivialDecorator self) -> _TrivialDecorator
9563 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
9564 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
9566 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
9568 def show(self, *args):
9569 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
9570 return _IMP_kernel._TrivialDecorator_show(self, *args)
9573 def setup_particle(*args):
9575 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
9576 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
9578 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
9581 def get_is_setup(*args):
9583 get_is_setup(_ParticleAdaptor p) -> bool
9584 get_is_setup(Model m, ParticleIndex pi) -> bool
9586 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
9590 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
9591 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9592 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9593 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9594 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9595 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
9596 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9597 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
9598 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9599 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9600 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9601 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9603 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
9605 def get_value(self, *args):
9607 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
9608 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
9609 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
9610 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
9611 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
9612 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
9613 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
9614 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
9615 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
9616 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
9617 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9619 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
9621 def set_value(self, *args):
9623 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
9624 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
9625 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
9626 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
9627 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
9628 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
9629 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
9630 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
9631 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
9632 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
9633 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9635 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
9639 remove_attribute(_TrivialDecorator self, FloatKey a0)
9640 remove_attribute(_TrivialDecorator self, IntKey a0)
9641 remove_attribute(_TrivialDecorator self, FloatsKey a0)
9642 remove_attribute(_TrivialDecorator self, IntsKey a0)
9643 remove_attribute(_TrivialDecorator self, StringKey a0)
9644 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
9645 remove_attribute(_TrivialDecorator self, ObjectKey a0)
9646 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
9647 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
9648 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
9649 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
9651 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
9653 def has_attribute(self, *args):
9655 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
9656 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
9657 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
9658 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
9659 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
9660 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
9661 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
9662 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
9663 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
9664 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
9665 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
9667 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
9669 def get_derivative(self, a0):
9670 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
9671 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
9674 r"""get_name(_TrivialDecorator self) -> std::string"""
9675 return _IMP_kernel._TrivialDecorator_get_name(self)
9678 r"""clear_caches(_TrivialDecorator self)"""
9679 return _IMP_kernel._TrivialDecorator_clear_caches(self)
9681 def set_name(self, a0):
9682 r"""set_name(_TrivialDecorator self, std::string a0)"""
9683 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
9686 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
9687 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
9689 def add_to_derivative(self, a0, a1, a2):
9690 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9691 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
9694 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
9695 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
9697 def get_is_optimized(self, a0):
9698 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
9699 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
9701 def get_check_level(self):
9702 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
9703 return _IMP_kernel._TrivialDecorator_get_check_level(self)
9705 def __eq__(self, *args):
9707 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9708 __eq__(_TrivialDecorator self, Particle d) -> bool
9710 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
9712 def __ne__(self, *args):
9714 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9715 __ne__(_TrivialDecorator self, Particle d) -> bool
9717 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
9719 def __le__(self, *args):
9721 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9722 __le__(_TrivialDecorator self, Particle d) -> bool
9724 return _IMP_kernel._TrivialDecorator___le__(self, *args)
9726 def __lt__(self, *args):
9728 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9729 __lt__(_TrivialDecorator self, Particle d) -> bool
9731 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
9733 def __ge__(self, *args):
9735 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9736 __ge__(_TrivialDecorator self, Particle d) -> bool
9738 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
9740 def __gt__(self, *args):
9742 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
9743 __gt__(_TrivialDecorator self, Particle d) -> bool
9745 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
9748 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
9749 return _IMP_kernel._TrivialDecorator___hash__(self)
9752 r"""__str__(_TrivialDecorator self) -> std::string"""
9753 return _IMP_kernel._TrivialDecorator___str__(self)
9756 r"""__repr__(_TrivialDecorator self) -> std::string"""
9757 return _IMP_kernel._TrivialDecorator___repr__(self)
9759 def _get_as_binary(self):
9760 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
9761 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
9763 def _set_from_binary(self, p):
9764 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
9765 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
9767 def __getstate__(self):
9768 p = self._get_as_binary()
9769 if len(self.__dict__) > 1:
9770 d = self.__dict__.copy()
9775 def __setstate__(self, p):
9776 if not hasattr(self,
'this'):
9778 if isinstance(p, tuple):
9780 self.__dict__.update(d)
9781 return self._set_from_binary(p)
9783 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
9786 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
9787 class _TrivialDerivedDecorator(_TrivialDecorator):
9788 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
9790 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9792 def __init__(self, *args):
9794 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
9795 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
9796 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
9798 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
9800 def show(self, *args):
9801 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
9802 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
9805 def setup_particle(*args):
9807 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
9808 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
9810 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
9813 def get_is_setup(*args):
9815 get_is_setup(_ParticleAdaptor p) -> bool
9816 get_is_setup(Model m, ParticleIndex pi) -> bool
9818 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
9822 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
9823 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9824 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9825 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9826 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9827 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9828 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9829 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9830 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9831 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9832 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9833 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9835 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
9837 def get_value(self, *args):
9839 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
9840 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
9841 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
9842 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
9843 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
9844 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
9845 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
9846 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
9847 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
9848 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
9849 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9851 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
9853 def set_value(self, *args):
9855 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
9856 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
9857 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
9858 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
9859 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
9860 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
9861 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
9862 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
9863 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
9864 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
9865 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9867 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
9871 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
9872 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
9873 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
9874 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
9875 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
9876 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
9877 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
9878 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
9879 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
9880 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
9881 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
9883 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
9885 def has_attribute(self, *args):
9887 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
9888 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
9889 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
9890 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
9891 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
9892 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
9893 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
9894 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
9895 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
9896 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
9897 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
9899 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
9901 def get_derivative(self, a0):
9902 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
9903 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
9906 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
9907 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
9910 r"""clear_caches(_TrivialDerivedDecorator self)"""
9911 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
9913 def set_name(self, a0):
9914 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
9915 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
9918 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
9919 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
9921 def add_to_derivative(self, a0, a1, a2):
9922 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9923 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
9926 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
9927 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
9929 def get_is_optimized(self, a0):
9930 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
9931 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
9933 def get_check_level(self):
9934 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
9935 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
9937 def __eq__(self, *args):
9939 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9940 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
9942 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
9944 def __ne__(self, *args):
9946 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9947 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
9949 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
9951 def __le__(self, *args):
9953 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9954 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
9956 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
9958 def __lt__(self, *args):
9960 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9961 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
9963 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
9965 def __ge__(self, *args):
9967 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9968 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
9970 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
9972 def __gt__(self, *args):
9974 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
9975 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
9977 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
9980 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
9981 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
9984 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
9985 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
9988 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
9989 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
9991 def _get_as_binary(self):
9992 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
9993 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
9995 def _set_from_binary(self, p):
9996 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
9997 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
9999 def __getstate__(self):
10000 p = self._get_as_binary()
10001 if len(self.__dict__) > 1:
10002 d = self.__dict__.copy()
10007 def __setstate__(self, p):
10008 if not hasattr(self,
'this'):
10010 if isinstance(p, tuple):
10012 self.__dict__.update(d)
10013 return self._set_from_binary(p)
10015 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
10018 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
10019 class _TrivialTraitsDecorator(
Decorator):
10020 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
10022 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10024 def get_decorator_traits(self):
10025 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
10026 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
10029 def get_default_decorator_traits():
10030 r"""get_default_decorator_traits() -> StringKey"""
10031 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
10033 def __init__(self, *args):
10035 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
10036 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10037 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
10039 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
10041 def show(self, *args):
10042 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
10043 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
10046 def setup_particle(*args):
10048 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10049 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
10051 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
10054 def get_is_setup(*args):
10056 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
10057 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
10059 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
10062 def get_default_key():
10063 r"""get_default_key() -> StringKey"""
10064 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
10068 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
10069 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10070 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10071 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10072 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10073 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10074 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10075 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10076 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10077 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10078 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10079 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10081 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
10083 def get_value(self, *args):
10085 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
10086 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
10087 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
10088 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
10089 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
10090 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
10091 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
10092 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
10093 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
10094 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
10095 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
10097 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
10099 def set_value(self, *args):
10101 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
10102 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
10103 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
10104 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
10105 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
10106 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
10107 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
10108 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
10109 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
10110 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
10111 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
10113 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
10117 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
10118 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
10119 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
10120 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
10121 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
10122 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
10123 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
10124 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
10125 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
10126 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
10127 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
10129 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
10131 def has_attribute(self, *args):
10133 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
10134 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
10135 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
10136 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
10137 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
10138 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
10139 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
10140 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
10141 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
10142 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
10143 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
10145 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
10147 def get_derivative(self, a0):
10148 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
10149 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
10151 def get_name(self):
10152 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
10153 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
10156 r"""clear_caches(_TrivialTraitsDecorator self)"""
10157 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
10159 def set_name(self, a0):
10160 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
10161 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
10164 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
10165 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
10167 def add_to_derivative(self, a0, a1, a2):
10168 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10169 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
10172 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
10173 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
10175 def get_is_optimized(self, a0):
10176 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
10177 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
10179 def get_check_level(self):
10180 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
10181 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
10183 def __eq__(self, *args):
10185 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10186 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
10188 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
10190 def __ne__(self, *args):
10192 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10193 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
10195 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
10197 def __le__(self, *args):
10199 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10200 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
10202 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
10204 def __lt__(self, *args):
10206 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10207 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
10209 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
10211 def __ge__(self, *args):
10213 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10214 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
10216 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
10218 def __gt__(self, *args):
10220 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
10221 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
10223 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
10225 def __hash__(self):
10226 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
10227 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
10230 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
10231 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
10233 def __repr__(self):
10234 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
10235 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
10236 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
10239 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
10241 def __lshift__(*args):
10243 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
10244 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
10245 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
10247 return _IMP_kernel.__lshift__(*args)
10249 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
10251 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10253 def __init__(self, *args):
10255 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
10256 __init__(_ConstOptimizer self) -> _ConstOptimizer
10258 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
10260 def do_optimize(self, max_steps):
10261 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
10262 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
10265 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
10266 return _IMP_kernel._ConstOptimizer_get_version_info(self)
10267 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
10270 r"""__str__(_ConstOptimizer self) -> std::string"""
10271 return _IMP_kernel._ConstOptimizer___str__(self)
10273 def __repr__(self):
10274 r"""__repr__(_ConstOptimizer self) -> std::string"""
10275 return _IMP_kernel._ConstOptimizer___repr__(self)
10279 return _object_cast_to__ConstOptimizer(o)
10282 def _get_as_binary(self):
10283 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
10284 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
10286 def _set_from_binary(self, p):
10287 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
10288 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
10290 def __getstate__(self):
10291 p = self._get_as_binary()
10292 if len(self.__dict__) > 1:
10293 d = self.__dict__.copy()
10298 def __setstate__(self, p):
10299 if not hasattr(self,
'this'):
10301 if isinstance(p, tuple):
10303 self.__dict__.update(d)
10304 return self._set_from_binary(p)
10308 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
10311 r"""get_particle(Particle p) -> Particle"""
10312 return _IMP_kernel.get_particle(p)
10314 def _decorator_test(p):
10315 r"""_decorator_test(Particle p)"""
10316 return _IMP_kernel._decorator_test(p)
10318 def _overloaded_decorator(*args):
10320 _overloaded_decorator(_TrivialDecorator a) -> int
10321 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
10323 return _IMP_kernel._overloaded_decorator(*args)
10325 def _take_particles(*args):
10327 _take_particles(IMP::Particles const & ps) -> unsigned int
10328 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
10329 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
10331 return _IMP_kernel._take_particles(*args)
10333 def _give_particles(m):
10334 r"""_give_particles(Model m) -> IMP::Particles const &"""
10335 return _IMP_kernel._give_particles(m)
10337 def _pass_particles(ps):
10338 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
10339 return _IMP_kernel._pass_particles(ps)
10341 def _pass_particle(ps):
10342 r"""_pass_particle(Particle ps) -> Particle"""
10343 return _IMP_kernel._pass_particle(ps)
10345 def _pass_particle_pair(pp):
10346 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
10347 return _IMP_kernel._pass_particle_pair(pp)
10349 def _give_particles_copy(m):
10350 r"""_give_particles_copy(Model m) -> IMP::Particles"""
10351 return _IMP_kernel._give_particles_copy(m)
10353 def _pass_float_keys(input):
10354 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
10355 return _IMP_kernel._pass_float_keys(input)
10359 _pass(IMP::Particles const & p) -> IMP::Particles const
10360 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
10362 return _IMP_kernel._pass(*args)
10364 def _pass_decorators(p):
10365 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
10366 return _IMP_kernel._pass_decorators(p)
10368 def _pass_decorator_traits(p):
10369 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
10370 return _IMP_kernel._pass_decorator_traits(p)
10372 def _pass_particle_pairs(p):
10373 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
10374 return _IMP_kernel._pass_particle_pairs(p)
10376 def _pass_particle_index_pairs(p):
10377 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
10378 return _IMP_kernel._pass_particle_index_pairs(p)
10380 def _pass_model_objects(p):
10381 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
10382 return _IMP_kernel._pass_model_objects(p)
10384 def _pass_particles_temps(ps):
10385 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
10386 return _IMP_kernel._pass_particles_temps(ps)
10388 def _test_overload(*args):
10390 _test_overload(IMP::Particles const & ps) -> int
10391 _test_overload(IMP::Restraints const & ps) -> int
10393 return _IMP_kernel._test_overload(*args)
10395 def _get_range(m, k):
10396 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
10397 return _IMP_kernel._get_range(m, k)
10399 def _create_particles_from_pdb(name, m):
10400 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
10401 return _IMP_kernel._create_particles_from_pdb(name, m)
10403 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
10405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10406 __repr__ = _swig_repr
10408 def __init__(self):
10409 r"""__init__(_LogPairScore self) -> _LogPairScore"""
10410 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
10412 def do_get_inputs(self, arg2, arg3):
10413 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
10414 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
10416 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10417 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"""
10418 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10420 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10421 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"""
10422 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10424 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10425 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"""
10426 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10428 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10429 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"""
10430 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10433 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
10434 return _IMP_kernel._LogPairScore_get_version_info(self)
10435 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
10437 def get_particle_pairs(self):
10438 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
10439 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
10442 r"""clear(_LogPairScore self)"""
10443 return _IMP_kernel._LogPairScore_clear(self)
10445 def get_contains(self, pp):
10446 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
10447 return _IMP_kernel._LogPairScore_get_contains(self, pp)
10450 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
10452 def _overloaded_particles(*args):
10454 _overloaded_particles(Particle arg1)
10455 _overloaded_particles(IMP::Particles const & arg1)
10456 _overloaded_particles(IMP::ParticlesTemp const & arg1)
10457 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
10458 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
10459 _overloaded_particles(_TrivialDecorator arg1)
10461 return _IMP_kernel._overloaded_particles(*args)
10462 class _ImplicitParticles(object):
10463 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
10465 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10466 __repr__ = _swig_repr
10468 def __init__(self, *args):
10470 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
10471 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
10472 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
10473 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
10474 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
10475 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
10477 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
10478 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
10481 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
10483 def _implicit_particles(arg1):
10484 r"""_implicit_particles(_ImplicitParticles arg1)"""
10485 return _IMP_kernel._implicit_particles(arg1)
10487 def _take_particle_adaptor(pa):
10488 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
10489 return _IMP_kernel._take_particle_adaptor(pa)
10491 def _take_particle_indexes_adaptor(pa):
10492 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
10493 return _IMP_kernel._take_particle_indexes_adaptor(pa)
10494 class Vector1D(_VectorBase1D):
10495 r"""Proxy of C++ IMP::VectorD< 1 > class."""
10497 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10499 def get_unit_vector(self):
10500 r"""get_unit_vector(Vector1D self) -> Vector1D"""
10501 return _IMP_kernel.Vector1D_get_unit_vector(self)
10503 def __truediv__(self, *args):
10504 return _IMP_kernel.Vector1D___truediv__(self, *args)
10509 r"""__neg__(Vector1D self) -> Vector1D"""
10510 return _IMP_kernel.Vector1D___neg__(self)
10512 def __sub__(self, o):
10513 r"""__sub__(Vector1D self, Vector1D o) -> Vector1D"""
10514 return _IMP_kernel.Vector1D___sub__(self, o)
10516 def __add__(self, ret):
10517 r"""__add__(Vector1D self, Vector1D ret) -> Vector1D"""
10518 return _IMP_kernel.Vector1D___add__(self, ret)
10520 def __mul__(self, *args):
10522 __mul__(Vector1D self, double s) -> Vector1D
10523 __mul__(Vector1D self, Vector1D o) -> double
10525 return _IMP_kernel.Vector1D___mul__(self, *args)
10527 def __init__(self, *args):
10529 __init__(Vector1D self, IMP::Floats const & f) -> Vector1D
10530 __init__(Vector1D self) -> Vector1D
10531 __init__(Vector1D self, double x) -> Vector1D
10533 _IMP_kernel.Vector1D_swiginit(self, _IMP_kernel.new_Vector1D(*args))
10535 def __iadd__(self, *args):
10536 _IMP_kernel.Vector1D___iadd__(self, *args)
10541 def __imul__(self, *args):
10542 _IMP_kernel.Vector1D___imul__(self, *args)
10547 def __itruediv__(self, *args):
10548 _IMP_kernel.Vector1D___itruediv__(self, *args)
10553 def __isub__(self, *args):
10554 _IMP_kernel.Vector1D___isub__(self, *args)
10560 r"""__len__(Vector1D self) -> unsigned int"""
10561 return _IMP_kernel.Vector1D___len__(self)
10563 def __rmul__(self, f):
10564 r"""__rmul__(Vector1D self, double f) -> Vector1D"""
10565 return _IMP_kernel.Vector1D___rmul__(self, f)
10568 r"""__str__(Vector1D self) -> std::string"""
10569 return _IMP_kernel.Vector1D___str__(self)
10571 def __repr__(self):
10572 r"""__repr__(Vector1D self) -> std::string"""
10573 return _IMP_kernel.Vector1D___repr__(self)
10575 def __cmp__(self, arg2):
10576 r"""__cmp__(Vector1D self, Vector1D arg2) -> int"""
10577 return _IMP_kernel.Vector1D___cmp__(self, arg2)
10579 def __eq__(self, arg2):
10580 r"""__eq__(Vector1D self, Vector1D arg2) -> bool"""
10581 return _IMP_kernel.Vector1D___eq__(self, arg2)
10583 def _get_as_binary(self):
10584 r"""_get_as_binary(Vector1D self) -> PyObject *"""
10585 return _IMP_kernel.Vector1D__get_as_binary(self)
10587 def _set_from_binary(self, p):
10588 r"""_set_from_binary(Vector1D self, PyObject * p)"""
10589 return _IMP_kernel.Vector1D__set_from_binary(self, p)
10591 def __getstate__(self):
10592 p = self._get_as_binary()
10593 if len(self.__dict__) > 1:
10594 d = self.__dict__.copy()
10599 def __setstate__(self, p):
10600 if not hasattr(self,
'this'):
10602 if isinstance(p, tuple):
10604 self.__dict__.update(d)
10605 return self._set_from_binary(p)
10608 def __getitem__(self, index):
10609 if isinstance(index, slice):
10610 return [self[i]
for i
in range(*index.indices(len(self)))]
10612 return _IMP_kernel.Vector1D___getitem__(self, index)
10616 def __setitem__(self, index, val):
10617 if isinstance(index, slice):
10618 if not hasattr(val,
'__iter__'):
10619 raise TypeError(
"must assign iterable to extended slice")
10620 inds = range(*index.indices(len(self)))
10621 if len(inds) != len(val):
10623 "attempt to assign sequence of size %d "
10624 "to extended slice of size %d" % (len(val), len(inds)))
10625 for ind, v
in zip(inds, val):
10628 return _IMP_kernel.Vector1D___setitem__(self, index, val)
10631 __swig_destroy__ = _IMP_kernel.delete_Vector1D
10634 _IMP_kernel.Vector1D_swigregister(Vector1D)
10635 class Vector2D(_VectorBase2D):
10636 r"""Proxy of C++ IMP::VectorD< 2 > class."""
10638 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10640 def get_unit_vector(self):
10641 r"""get_unit_vector(Vector2D self) -> Vector2D"""
10642 return _IMP_kernel.Vector2D_get_unit_vector(self)
10644 def __truediv__(self, *args):
10645 return _IMP_kernel.Vector2D___truediv__(self, *args)
10650 r"""__neg__(Vector2D self) -> Vector2D"""
10651 return _IMP_kernel.Vector2D___neg__(self)
10653 def __sub__(self, o):
10654 r"""__sub__(Vector2D self, Vector2D o) -> Vector2D"""
10655 return _IMP_kernel.Vector2D___sub__(self, o)
10657 def __add__(self, ret):
10658 r"""__add__(Vector2D self, Vector2D ret) -> Vector2D"""
10659 return _IMP_kernel.Vector2D___add__(self, ret)
10661 def __mul__(self, *args):
10663 __mul__(Vector2D self, double s) -> Vector2D
10664 __mul__(Vector2D self, Vector2D o) -> double
10666 return _IMP_kernel.Vector2D___mul__(self, *args)
10668 def __init__(self, *args):
10670 __init__(Vector2D self, IMP::Floats const & f) -> Vector2D
10671 __init__(Vector2D self) -> Vector2D
10672 __init__(Vector2D self, double x, double y) -> Vector2D
10674 _IMP_kernel.Vector2D_swiginit(self, _IMP_kernel.new_Vector2D(*args))
10676 def __iadd__(self, *args):
10677 _IMP_kernel.Vector2D___iadd__(self, *args)
10682 def __imul__(self, *args):
10683 _IMP_kernel.Vector2D___imul__(self, *args)
10688 def __itruediv__(self, *args):
10689 _IMP_kernel.Vector2D___itruediv__(self, *args)
10694 def __isub__(self, *args):
10695 _IMP_kernel.Vector2D___isub__(self, *args)
10701 r"""__len__(Vector2D self) -> unsigned int"""
10702 return _IMP_kernel.Vector2D___len__(self)
10704 def __rmul__(self, f):
10705 r"""__rmul__(Vector2D self, double f) -> Vector2D"""
10706 return _IMP_kernel.Vector2D___rmul__(self, f)
10709 r"""__str__(Vector2D self) -> std::string"""
10710 return _IMP_kernel.Vector2D___str__(self)
10712 def __repr__(self):
10713 r"""__repr__(Vector2D self) -> std::string"""
10714 return _IMP_kernel.Vector2D___repr__(self)
10716 def __cmp__(self, arg2):
10717 r"""__cmp__(Vector2D self, Vector2D arg2) -> int"""
10718 return _IMP_kernel.Vector2D___cmp__(self, arg2)
10720 def __eq__(self, arg2):
10721 r"""__eq__(Vector2D self, Vector2D arg2) -> bool"""
10722 return _IMP_kernel.Vector2D___eq__(self, arg2)
10724 def _get_as_binary(self):
10725 r"""_get_as_binary(Vector2D self) -> PyObject *"""
10726 return _IMP_kernel.Vector2D__get_as_binary(self)
10728 def _set_from_binary(self, p):
10729 r"""_set_from_binary(Vector2D self, PyObject * p)"""
10730 return _IMP_kernel.Vector2D__set_from_binary(self, p)
10732 def __getstate__(self):
10733 p = self._get_as_binary()
10734 if len(self.__dict__) > 1:
10735 d = self.__dict__.copy()
10740 def __setstate__(self, p):
10741 if not hasattr(self,
'this'):
10743 if isinstance(p, tuple):
10745 self.__dict__.update(d)
10746 return self._set_from_binary(p)
10749 def __getitem__(self, index):
10750 if isinstance(index, slice):
10751 return [self[i]
for i
in range(*index.indices(len(self)))]
10753 return _IMP_kernel.Vector2D___getitem__(self, index)
10757 def __setitem__(self, index, val):
10758 if isinstance(index, slice):
10759 if not hasattr(val,
'__iter__'):
10760 raise TypeError(
"must assign iterable to extended slice")
10761 inds = range(*index.indices(len(self)))
10762 if len(inds) != len(val):
10764 "attempt to assign sequence of size %d "
10765 "to extended slice of size %d" % (len(val), len(inds)))
10766 for ind, v
in zip(inds, val):
10769 return _IMP_kernel.Vector2D___setitem__(self, index, val)
10772 __swig_destroy__ = _IMP_kernel.delete_Vector2D
10775 _IMP_kernel.Vector2D_swigregister(Vector2D)
10776 class Vector3D(_VectorBase3D):
10777 r"""Proxy of C++ IMP::VectorD< 3 > class."""
10779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10781 def get_unit_vector(self):
10782 r"""get_unit_vector(Vector3D self) -> Vector3D"""
10783 return _IMP_kernel.Vector3D_get_unit_vector(self)
10785 def __truediv__(self, *args):
10786 return _IMP_kernel.Vector3D___truediv__(self, *args)
10791 r"""__neg__(Vector3D self) -> Vector3D"""
10792 return _IMP_kernel.Vector3D___neg__(self)
10794 def __sub__(self, o):
10795 r"""__sub__(Vector3D self, Vector3D o) -> Vector3D"""
10796 return _IMP_kernel.Vector3D___sub__(self, o)
10798 def __add__(self, ret):
10799 r"""__add__(Vector3D self, Vector3D ret) -> Vector3D"""
10800 return _IMP_kernel.Vector3D___add__(self, ret)
10802 def __mul__(self, *args):
10804 __mul__(Vector3D self, double s) -> Vector3D
10805 __mul__(Vector3D self, Vector3D o) -> double
10807 return _IMP_kernel.Vector3D___mul__(self, *args)
10809 def __init__(self, *args):
10811 __init__(Vector3D self, IMP::Floats const & f) -> Vector3D
10812 __init__(Vector3D self) -> Vector3D
10813 __init__(Vector3D self, double x, double y, double z) -> Vector3D
10815 _IMP_kernel.Vector3D_swiginit(self, _IMP_kernel.new_Vector3D(*args))
10817 def __iadd__(self, *args):
10818 _IMP_kernel.Vector3D___iadd__(self, *args)
10823 def __imul__(self, *args):
10824 _IMP_kernel.Vector3D___imul__(self, *args)
10829 def __itruediv__(self, *args):
10830 _IMP_kernel.Vector3D___itruediv__(self, *args)
10835 def __isub__(self, *args):
10836 _IMP_kernel.Vector3D___isub__(self, *args)
10842 r"""__len__(Vector3D self) -> unsigned int"""
10843 return _IMP_kernel.Vector3D___len__(self)
10845 def __rmul__(self, f):
10846 r"""__rmul__(Vector3D self, double f) -> Vector3D"""
10847 return _IMP_kernel.Vector3D___rmul__(self, f)
10850 r"""__str__(Vector3D self) -> std::string"""
10851 return _IMP_kernel.Vector3D___str__(self)
10853 def __repr__(self):
10854 r"""__repr__(Vector3D self) -> std::string"""
10855 return _IMP_kernel.Vector3D___repr__(self)
10857 def __cmp__(self, arg2):
10858 r"""__cmp__(Vector3D self, Vector3D arg2) -> int"""
10859 return _IMP_kernel.Vector3D___cmp__(self, arg2)
10861 def __eq__(self, arg2):
10862 r"""__eq__(Vector3D self, Vector3D arg2) -> bool"""
10863 return _IMP_kernel.Vector3D___eq__(self, arg2)
10865 def _get_as_binary(self):
10866 r"""_get_as_binary(Vector3D self) -> PyObject *"""
10867 return _IMP_kernel.Vector3D__get_as_binary(self)
10869 def _set_from_binary(self, p):
10870 r"""_set_from_binary(Vector3D self, PyObject * p)"""
10871 return _IMP_kernel.Vector3D__set_from_binary(self, p)
10873 def __getstate__(self):
10874 p = self._get_as_binary()
10875 if len(self.__dict__) > 1:
10876 d = self.__dict__.copy()
10881 def __setstate__(self, p):
10882 if not hasattr(self,
'this'):
10884 if isinstance(p, tuple):
10886 self.__dict__.update(d)
10887 return self._set_from_binary(p)
10890 def __getitem__(self, index):
10891 if isinstance(index, slice):
10892 return [self[i]
for i
in range(*index.indices(len(self)))]
10894 return _IMP_kernel.Vector3D___getitem__(self, index)
10898 def __setitem__(self, index, val):
10899 if isinstance(index, slice):
10900 if not hasattr(val,
'__iter__'):
10901 raise TypeError(
"must assign iterable to extended slice")
10902 inds = range(*index.indices(len(self)))
10903 if len(inds) != len(val):
10905 "attempt to assign sequence of size %d "
10906 "to extended slice of size %d" % (len(val), len(inds)))
10907 for ind, v
in zip(inds, val):
10910 return _IMP_kernel.Vector3D___setitem__(self, index, val)
10913 __swig_destroy__ = _IMP_kernel.delete_Vector3D
10916 _IMP_kernel.Vector3D_swigregister(Vector3D)
10917 class Vector4D(_VectorBase4D):
10918 r"""Proxy of C++ IMP::VectorD< 4 > class."""
10920 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10922 def get_unit_vector(self):
10923 r"""get_unit_vector(Vector4D self) -> Vector4D"""
10924 return _IMP_kernel.Vector4D_get_unit_vector(self)
10926 def __truediv__(self, *args):
10927 return _IMP_kernel.Vector4D___truediv__(self, *args)
10932 r"""__neg__(Vector4D self) -> Vector4D"""
10933 return _IMP_kernel.Vector4D___neg__(self)
10935 def __sub__(self, o):
10936 r"""__sub__(Vector4D self, Vector4D o) -> Vector4D"""
10937 return _IMP_kernel.Vector4D___sub__(self, o)
10939 def __add__(self, ret):
10940 r"""__add__(Vector4D self, Vector4D ret) -> Vector4D"""
10941 return _IMP_kernel.Vector4D___add__(self, ret)
10943 def __mul__(self, *args):
10945 __mul__(Vector4D self, double s) -> Vector4D
10946 __mul__(Vector4D self, Vector4D o) -> double
10948 return _IMP_kernel.Vector4D___mul__(self, *args)
10950 def __init__(self, *args):
10952 __init__(Vector4D self, IMP::Floats const & f) -> Vector4D
10953 __init__(Vector4D self) -> Vector4D
10954 __init__(Vector4D self, double x0, double x1, double x2, double x3) -> Vector4D
10956 _IMP_kernel.Vector4D_swiginit(self, _IMP_kernel.new_Vector4D(*args))
10958 def __iadd__(self, *args):
10959 _IMP_kernel.Vector4D___iadd__(self, *args)
10964 def __imul__(self, *args):
10965 _IMP_kernel.Vector4D___imul__(self, *args)
10970 def __itruediv__(self, *args):
10971 _IMP_kernel.Vector4D___itruediv__(self, *args)
10976 def __isub__(self, *args):
10977 _IMP_kernel.Vector4D___isub__(self, *args)
10983 r"""__len__(Vector4D self) -> unsigned int"""
10984 return _IMP_kernel.Vector4D___len__(self)
10986 def __rmul__(self, f):
10987 r"""__rmul__(Vector4D self, double f) -> Vector4D"""
10988 return _IMP_kernel.Vector4D___rmul__(self, f)
10991 r"""__str__(Vector4D self) -> std::string"""
10992 return _IMP_kernel.Vector4D___str__(self)
10994 def __repr__(self):
10995 r"""__repr__(Vector4D self) -> std::string"""
10996 return _IMP_kernel.Vector4D___repr__(self)
10998 def __cmp__(self, arg2):
10999 r"""__cmp__(Vector4D self, Vector4D arg2) -> int"""
11000 return _IMP_kernel.Vector4D___cmp__(self, arg2)
11002 def __eq__(self, arg2):
11003 r"""__eq__(Vector4D self, Vector4D arg2) -> bool"""
11004 return _IMP_kernel.Vector4D___eq__(self, arg2)
11006 def _get_as_binary(self):
11007 r"""_get_as_binary(Vector4D self) -> PyObject *"""
11008 return _IMP_kernel.Vector4D__get_as_binary(self)
11010 def _set_from_binary(self, p):
11011 r"""_set_from_binary(Vector4D self, PyObject * p)"""
11012 return _IMP_kernel.Vector4D__set_from_binary(self, p)
11014 def __getstate__(self):
11015 p = self._get_as_binary()
11016 if len(self.__dict__) > 1:
11017 d = self.__dict__.copy()
11022 def __setstate__(self, p):
11023 if not hasattr(self,
'this'):
11025 if isinstance(p, tuple):
11027 self.__dict__.update(d)
11028 return self._set_from_binary(p)
11031 def __getitem__(self, index):
11032 if isinstance(index, slice):
11033 return [self[i]
for i
in range(*index.indices(len(self)))]
11035 return _IMP_kernel.Vector4D___getitem__(self, index)
11039 def __setitem__(self, index, val):
11040 if isinstance(index, slice):
11041 if not hasattr(val,
'__iter__'):
11042 raise TypeError(
"must assign iterable to extended slice")
11043 inds = range(*index.indices(len(self)))
11044 if len(inds) != len(val):
11046 "attempt to assign sequence of size %d "
11047 "to extended slice of size %d" % (len(val), len(inds)))
11048 for ind, v
in zip(inds, val):
11051 return _IMP_kernel.Vector4D___setitem__(self, index, val)
11054 __swig_destroy__ = _IMP_kernel.delete_Vector4D
11057 _IMP_kernel.Vector4D_swigregister(Vector4D)
11058 class Vector5D(_VectorBase5D):
11059 r"""Proxy of C++ IMP::VectorD< 5 > class."""
11061 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11063 def get_unit_vector(self):
11064 r"""get_unit_vector(Vector5D self) -> Vector5D"""
11065 return _IMP_kernel.Vector5D_get_unit_vector(self)
11067 def __truediv__(self, *args):
11068 return _IMP_kernel.Vector5D___truediv__(self, *args)
11073 r"""__neg__(Vector5D self) -> Vector5D"""
11074 return _IMP_kernel.Vector5D___neg__(self)
11076 def __sub__(self, o):
11077 r"""__sub__(Vector5D self, Vector5D o) -> Vector5D"""
11078 return _IMP_kernel.Vector5D___sub__(self, o)
11080 def __add__(self, ret):
11081 r"""__add__(Vector5D self, Vector5D ret) -> Vector5D"""
11082 return _IMP_kernel.Vector5D___add__(self, ret)
11084 def __mul__(self, *args):
11086 __mul__(Vector5D self, double s) -> Vector5D
11087 __mul__(Vector5D self, Vector5D o) -> double
11089 return _IMP_kernel.Vector5D___mul__(self, *args)
11091 def __init__(self, *args):
11093 __init__(Vector5D self, IMP::Floats const & f) -> Vector5D
11094 __init__(Vector5D self) -> Vector5D
11095 __init__(Vector5D self, double x0, double x1, double x2, double x3, double x4) -> Vector5D
11097 _IMP_kernel.Vector5D_swiginit(self, _IMP_kernel.new_Vector5D(*args))
11099 def __iadd__(self, *args):
11100 _IMP_kernel.Vector5D___iadd__(self, *args)
11105 def __imul__(self, *args):
11106 _IMP_kernel.Vector5D___imul__(self, *args)
11111 def __itruediv__(self, *args):
11112 _IMP_kernel.Vector5D___itruediv__(self, *args)
11117 def __isub__(self, *args):
11118 _IMP_kernel.Vector5D___isub__(self, *args)
11124 r"""__len__(Vector5D self) -> unsigned int"""
11125 return _IMP_kernel.Vector5D___len__(self)
11127 def __rmul__(self, f):
11128 r"""__rmul__(Vector5D self, double f) -> Vector5D"""
11129 return _IMP_kernel.Vector5D___rmul__(self, f)
11132 r"""__str__(Vector5D self) -> std::string"""
11133 return _IMP_kernel.Vector5D___str__(self)
11135 def __repr__(self):
11136 r"""__repr__(Vector5D self) -> std::string"""
11137 return _IMP_kernel.Vector5D___repr__(self)
11139 def __cmp__(self, arg2):
11140 r"""__cmp__(Vector5D self, Vector5D arg2) -> int"""
11141 return _IMP_kernel.Vector5D___cmp__(self, arg2)
11143 def __eq__(self, arg2):
11144 r"""__eq__(Vector5D self, Vector5D arg2) -> bool"""
11145 return _IMP_kernel.Vector5D___eq__(self, arg2)
11147 def _get_as_binary(self):
11148 r"""_get_as_binary(Vector5D self) -> PyObject *"""
11149 return _IMP_kernel.Vector5D__get_as_binary(self)
11151 def _set_from_binary(self, p):
11152 r"""_set_from_binary(Vector5D self, PyObject * p)"""
11153 return _IMP_kernel.Vector5D__set_from_binary(self, p)
11155 def __getstate__(self):
11156 p = self._get_as_binary()
11157 if len(self.__dict__) > 1:
11158 d = self.__dict__.copy()
11163 def __setstate__(self, p):
11164 if not hasattr(self,
'this'):
11166 if isinstance(p, tuple):
11168 self.__dict__.update(d)
11169 return self._set_from_binary(p)
11172 def __getitem__(self, index):
11173 if isinstance(index, slice):
11174 return [self[i]
for i
in range(*index.indices(len(self)))]
11176 return _IMP_kernel.Vector5D___getitem__(self, index)
11180 def __setitem__(self, index, val):
11181 if isinstance(index, slice):
11182 if not hasattr(val,
'__iter__'):
11183 raise TypeError(
"must assign iterable to extended slice")
11184 inds = range(*index.indices(len(self)))
11185 if len(inds) != len(val):
11187 "attempt to assign sequence of size %d "
11188 "to extended slice of size %d" % (len(val), len(inds)))
11189 for ind, v
in zip(inds, val):
11192 return _IMP_kernel.Vector5D___setitem__(self, index, val)
11195 __swig_destroy__ = _IMP_kernel.delete_Vector5D
11198 _IMP_kernel.Vector5D_swigregister(Vector5D)
11199 class Vector6D(_VectorBase6D):
11200 r"""Proxy of C++ IMP::VectorD< 6 > class."""
11202 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11204 def get_unit_vector(self):
11205 r"""get_unit_vector(Vector6D self) -> Vector6D"""
11206 return _IMP_kernel.Vector6D_get_unit_vector(self)
11208 def __truediv__(self, *args):
11209 return _IMP_kernel.Vector6D___truediv__(self, *args)
11214 r"""__neg__(Vector6D self) -> Vector6D"""
11215 return _IMP_kernel.Vector6D___neg__(self)
11217 def __sub__(self, o):
11218 r"""__sub__(Vector6D self, Vector6D o) -> Vector6D"""
11219 return _IMP_kernel.Vector6D___sub__(self, o)
11221 def __add__(self, ret):
11222 r"""__add__(Vector6D self, Vector6D ret) -> Vector6D"""
11223 return _IMP_kernel.Vector6D___add__(self, ret)
11225 def __mul__(self, *args):
11227 __mul__(Vector6D self, double s) -> Vector6D
11228 __mul__(Vector6D self, Vector6D o) -> double
11230 return _IMP_kernel.Vector6D___mul__(self, *args)
11232 def __init__(self, *args):
11234 __init__(Vector6D self, IMP::Floats const & f) -> Vector6D
11235 __init__(Vector6D self) -> Vector6D
11236 __init__(Vector6D self, double x0, double x1, double x2, double x3, double x4, double x5) -> Vector6D
11238 _IMP_kernel.Vector6D_swiginit(self, _IMP_kernel.new_Vector6D(*args))
11240 def __iadd__(self, *args):
11241 _IMP_kernel.Vector6D___iadd__(self, *args)
11246 def __imul__(self, *args):
11247 _IMP_kernel.Vector6D___imul__(self, *args)
11252 def __itruediv__(self, *args):
11253 _IMP_kernel.Vector6D___itruediv__(self, *args)
11258 def __isub__(self, *args):
11259 _IMP_kernel.Vector6D___isub__(self, *args)
11265 r"""__len__(Vector6D self) -> unsigned int"""
11266 return _IMP_kernel.Vector6D___len__(self)
11268 def __rmul__(self, f):
11269 r"""__rmul__(Vector6D self, double f) -> Vector6D"""
11270 return _IMP_kernel.Vector6D___rmul__(self, f)
11273 r"""__str__(Vector6D self) -> std::string"""
11274 return _IMP_kernel.Vector6D___str__(self)
11276 def __repr__(self):
11277 r"""__repr__(Vector6D self) -> std::string"""
11278 return _IMP_kernel.Vector6D___repr__(self)
11280 def __cmp__(self, arg2):
11281 r"""__cmp__(Vector6D self, Vector6D arg2) -> int"""
11282 return _IMP_kernel.Vector6D___cmp__(self, arg2)
11284 def __eq__(self, arg2):
11285 r"""__eq__(Vector6D self, Vector6D arg2) -> bool"""
11286 return _IMP_kernel.Vector6D___eq__(self, arg2)
11288 def _get_as_binary(self):
11289 r"""_get_as_binary(Vector6D self) -> PyObject *"""
11290 return _IMP_kernel.Vector6D__get_as_binary(self)
11292 def _set_from_binary(self, p):
11293 r"""_set_from_binary(Vector6D self, PyObject * p)"""
11294 return _IMP_kernel.Vector6D__set_from_binary(self, p)
11296 def __getstate__(self):
11297 p = self._get_as_binary()
11298 if len(self.__dict__) > 1:
11299 d = self.__dict__.copy()
11304 def __setstate__(self, p):
11305 if not hasattr(self,
'this'):
11307 if isinstance(p, tuple):
11309 self.__dict__.update(d)
11310 return self._set_from_binary(p)
11313 def __getitem__(self, index):
11314 if isinstance(index, slice):
11315 return [self[i]
for i
in range(*index.indices(len(self)))]
11317 return _IMP_kernel.Vector6D___getitem__(self, index)
11321 def __setitem__(self, index, val):
11322 if isinstance(index, slice):
11323 if not hasattr(val,
'__iter__'):
11324 raise TypeError(
"must assign iterable to extended slice")
11325 inds = range(*index.indices(len(self)))
11326 if len(inds) != len(val):
11328 "attempt to assign sequence of size %d "
11329 "to extended slice of size %d" % (len(val), len(inds)))
11330 for ind, v
in zip(inds, val):
11333 return _IMP_kernel.Vector6D___setitem__(self, index, val)
11336 __swig_destroy__ = _IMP_kernel.delete_Vector6D
11339 _IMP_kernel.Vector6D_swigregister(Vector6D)
11340 class VectorKD(_VectorBaseKD):
11341 r"""Proxy of C++ IMP::VectorD< -1 > class."""
11343 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11345 def get_unit_vector(self):
11346 r"""get_unit_vector(VectorKD self) -> VectorKD"""
11347 return _IMP_kernel.VectorKD_get_unit_vector(self)
11349 def __truediv__(self, *args):
11350 return _IMP_kernel.VectorKD___truediv__(self, *args)
11355 r"""__neg__(VectorKD self) -> VectorKD"""
11356 return _IMP_kernel.VectorKD___neg__(self)
11358 def __sub__(self, o):
11359 r"""__sub__(VectorKD self, VectorKD o) -> VectorKD"""
11360 return _IMP_kernel.VectorKD___sub__(self, o)
11362 def __add__(self, ret):
11363 r"""__add__(VectorKD self, VectorKD ret) -> VectorKD"""
11364 return _IMP_kernel.VectorKD___add__(self, ret)
11366 def __mul__(self, *args):
11368 __mul__(VectorKD self, double s) -> VectorKD
11369 __mul__(VectorKD self, VectorKD o) -> double
11371 return _IMP_kernel.VectorKD___mul__(self, *args)
11373 def __init__(self, *args):
11375 __init__(VectorKD self, IMP::Floats const & f) -> VectorKD
11376 __init__(VectorKD self) -> VectorKD
11377 __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
11379 _IMP_kernel.VectorKD_swiginit(self, _IMP_kernel.new_VectorKD(*args))
11381 def __iadd__(self, *args):
11382 _IMP_kernel.VectorKD___iadd__(self, *args)
11387 def __imul__(self, *args):
11388 _IMP_kernel.VectorKD___imul__(self, *args)
11393 def __itruediv__(self, *args):
11394 _IMP_kernel.VectorKD___itruediv__(self, *args)
11399 def __isub__(self, *args):
11400 _IMP_kernel.VectorKD___isub__(self, *args)
11406 r"""__len__(VectorKD self) -> unsigned int"""
11407 return _IMP_kernel.VectorKD___len__(self)
11409 def __rmul__(self, f):
11410 r"""__rmul__(VectorKD self, double f) -> VectorKD"""
11411 return _IMP_kernel.VectorKD___rmul__(self, f)
11414 r"""__str__(VectorKD self) -> std::string"""
11415 return _IMP_kernel.VectorKD___str__(self)
11417 def __repr__(self):
11418 r"""__repr__(VectorKD self) -> std::string"""
11419 return _IMP_kernel.VectorKD___repr__(self)
11421 def __cmp__(self, arg2):
11422 r"""__cmp__(VectorKD self, VectorKD arg2) -> int"""
11423 return _IMP_kernel.VectorKD___cmp__(self, arg2)
11425 def __eq__(self, arg2):
11426 r"""__eq__(VectorKD self, VectorKD arg2) -> bool"""
11427 return _IMP_kernel.VectorKD___eq__(self, arg2)
11429 def _get_as_binary(self):
11430 r"""_get_as_binary(VectorKD self) -> PyObject *"""
11431 return _IMP_kernel.VectorKD__get_as_binary(self)
11433 def _set_from_binary(self, p):
11434 r"""_set_from_binary(VectorKD self, PyObject * p)"""
11435 return _IMP_kernel.VectorKD__set_from_binary(self, p)
11437 def __getstate__(self):
11438 p = self._get_as_binary()
11439 if len(self.__dict__) > 1:
11440 d = self.__dict__.copy()
11445 def __setstate__(self, p):
11446 if not hasattr(self,
'this'):
11448 if isinstance(p, tuple):
11450 self.__dict__.update(d)
11451 return self._set_from_binary(p)
11454 def __getitem__(self, index):
11455 if isinstance(index, slice):
11456 return [self[i]
for i
in range(*index.indices(len(self)))]
11458 return _IMP_kernel.VectorKD___getitem__(self, index)
11462 def __setitem__(self, index, val):
11463 if isinstance(index, slice):
11464 if not hasattr(val,
'__iter__'):
11465 raise TypeError(
"must assign iterable to extended slice")
11466 inds = range(*index.indices(len(self)))
11467 if len(inds) != len(val):
11469 "attempt to assign sequence of size %d "
11470 "to extended slice of size %d" % (len(val), len(inds)))
11471 for ind, v
in zip(inds, val):
11474 return _IMP_kernel.VectorKD___setitem__(self, index, val)
11477 __swig_destroy__ = _IMP_kernel.delete_VectorKD
11480 _IMP_kernel.VectorKD_swigregister(VectorKD)
11482 def get_basis_vector_1d(coordinate):
11483 r"""get_basis_vector_1d(unsigned int coordinate) -> Vector1D"""
11484 return _IMP_kernel.get_basis_vector_1d(coordinate)
11486 def get_basis_vector_2d(coordinate):
11487 r"""get_basis_vector_2d(unsigned int coordinate) -> Vector2D"""
11488 return _IMP_kernel.get_basis_vector_2d(coordinate)
11490 def get_basis_vector_3d(coordinate):
11491 r"""get_basis_vector_3d(unsigned int coordinate) -> Vector3D"""
11492 return _IMP_kernel.get_basis_vector_3d(coordinate)
11494 def get_basis_vector_4d(coordinate):
11495 r"""get_basis_vector_4d(unsigned int coordinate) -> Vector4D"""
11496 return _IMP_kernel.get_basis_vector_4d(coordinate)
11498 def get_basis_vector_5d(coordinate):
11499 r"""get_basis_vector_5d(unsigned int coordinate) -> Vector5D"""
11500 return _IMP_kernel.get_basis_vector_5d(coordinate)
11502 def get_basis_vector_6d(coordinate):
11503 r"""get_basis_vector_6d(unsigned int coordinate) -> Vector6D"""
11504 return _IMP_kernel.get_basis_vector_6d(coordinate)
11506 def get_zero_vector_1d():
11507 r"""get_zero_vector_1d() -> Vector1D"""
11508 return _IMP_kernel.get_zero_vector_1d()
11510 def get_zero_vector_2d():
11511 r"""get_zero_vector_2d() -> Vector2D"""
11512 return _IMP_kernel.get_zero_vector_2d()
11514 def get_zero_vector_3d():
11515 r"""get_zero_vector_3d() -> Vector3D"""
11516 return _IMP_kernel.get_zero_vector_3d()
11518 def get_zero_vector_4d():
11519 r"""get_zero_vector_4d() -> Vector4D"""
11520 return _IMP_kernel.get_zero_vector_4d()
11522 def get_zero_vector_5d():
11523 r"""get_zero_vector_5d() -> Vector5D"""
11524 return _IMP_kernel.get_zero_vector_5d()
11526 def get_zero_vector_6d():
11527 r"""get_zero_vector_6d() -> Vector6D"""
11528 return _IMP_kernel.get_zero_vector_6d()
11530 def get_ones_vector_1d(v=1):
11531 r"""get_ones_vector_1d(double v=1) -> Vector1D"""
11532 return _IMP_kernel.get_ones_vector_1d(v)
11534 def get_ones_vector_2d(v=1):
11535 r"""get_ones_vector_2d(double v=1) -> Vector2D"""
11536 return _IMP_kernel.get_ones_vector_2d(v)
11538 def get_ones_vector_3d(v=1):
11539 r"""get_ones_vector_3d(double v=1) -> Vector3D"""
11540 return _IMP_kernel.get_ones_vector_3d(v)
11542 def get_ones_vector_4d(v=1):
11543 r"""get_ones_vector_4d(double v=1) -> Vector4D"""
11544 return _IMP_kernel.get_ones_vector_4d(v)
11546 def get_ones_vector_5d(v=1):
11547 r"""get_ones_vector_5d(double v=1) -> Vector5D"""
11548 return _IMP_kernel.get_ones_vector_5d(v)
11550 def get_ones_vector_6d(v=1):
11551 r"""get_ones_vector_6d(double v=1) -> Vector6D"""
11552 return _IMP_kernel.get_ones_vector_6d(v)
11554 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
11556 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11557 __repr__ = _swig_repr
11559 def __init__(self, *args):
11561 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
11562 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
11564 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
11566 def do_add_score_and_derivatives(self, sa, ss):
11567 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
11568 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
11570 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
11571 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)"""
11572 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
11574 def do_get_inputs(self):
11575 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
11576 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
11578 def get_restraints(self):
11579 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
11580 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
11582 def set_restraints(self, s):
11583 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
11584 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
11586 def get_number_of_restraints(self):
11587 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
11588 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
11590 def clear_restraints(self):
11591 r"""clear_restraints(_RestraintsScoringFunction self)"""
11592 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
11594 def get_restraint(self, i):
11595 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
11596 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
11598 def erase_restraint(self, i):
11599 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
11600 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
11603 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
11604 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
11607 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
11608 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
11610 def _python_index_restraint(self, r, start, stop):
11611 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
11612 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
11615 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
11616 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
11617 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
11621 return _object_cast_to__RestraintsScoringFunction(o)
11624 def __get_restraints(self):
11625 return _list_util.VarList(
11626 getdimfunc=self.get_number_of_restraints,
11627 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
11628 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
11629 clearfunc=self.clear_restraints,
11630 indexfunc=self._python_index_restraint)
11632 def __set_restraints(self, obj):
11633 _list_util.set_varlist(self.restraints, obj)
11635 def __del_restraints(self):
11636 _list_util.del_varlist(self.restraints)
11638 restraints = property(__get_restraints, __set_restraints,
11639 __del_restraints, doc=
"List of Restraints")
11642 def _get_jax(self):
11643 import IMP._jax_util
11644 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
11645 funcs = [j.score_func
for j
in jis]
11646 keys = frozenset(x
for j
in jis
for x
in j._keys)
11648 return sum(f(jm)
for f
in funcs)
11649 return IMP._jax_util.JAXRestraintInfo(
11650 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
11654 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
11656 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
11658 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11660 def __init__(self, *args):
11662 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
11663 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
11665 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
11667 def set(self, p, key, value):
11668 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
11669 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
11672 r"""reset(ScopedSetFloatAttribute self)"""
11673 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
11674 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
11676 def show(self, *args):
11677 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
11678 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
11681 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
11682 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
11684 def __repr__(self):
11685 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
11686 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
11689 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
11691 def _get_module_data_path(module, file_name):
11692 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
11693 return _IMP_kernel._get_module_data_path(module, file_name)
11695 def _get_module_example_path(module, file_name):
11696 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
11697 return _IMP_kernel._get_module_example_path(module, file_name)
11706 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
11707 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
11708 pathcomps = os.environ[
'PATH'].split(
";")
11710 if d
not in pathcomps:
11711 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
11719 """Allow command line tools to easily implement multiple commands.
11720 Typically, an IMP command line tool will use an instance of this class
11721 to provide a consistent interface to multiple distinct commands
11722 from a single binary, rather than providing a potentially large
11723 number of binaries. This is similar to the way a number of common
11724 command line tools outside of IMP function (e.g. Git provides a single
11725 `git` tool which implements multiple commands - `git add`, `git commit`,
11726 `git push` and so on).
11728 Each command is implemented with a Python module of the same name
11729 that can be imported from the module (for example, if `module_name`
11730 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
11731 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
11732 Each such module should have a docstring and a `%main()` method
11733 that takes no arguments (the module should also call its `%main()` method
11734 if it is run directly, i.e. with something like
11735 `if __name__=="__main__": %main()`). The encompassing module
11736 (`IMP.foo` in the example) should define `_all_commands` as a Python
11737 list of all valid commands.
11739 See the `multifit` and `cnmultifit` command line tools for example
11745 @param short_help A few words that describe the command line tool.
11746 @param long_help Longer text, used in the `help` command.
11747 @param module_name Name of the module (e.g. `IMP.foo`) that
11748 implements the commands.
11750 self.short_help = short_help
11751 self.long_help = long_help
11752 self.module_name = module_name
11753 self._all_commands = self.import_module()._all_commands
11754 self._progname = os.path.basename(sys.argv[0])
11757 """Call this method to act upon the user-provided command line"""
11758 if len(sys.argv) <= 1:
11759 print(self.short_help +
" Use '%s help' for help." % self._progname)
11761 command = sys.argv[1]
11762 if command
in (
'help',
'--help',
'-h'):
11763 if len(sys.argv) == 3:
11764 self.show_command_help(sys.argv[2])
11767 elif command ==
'--version':
11768 self.show_version()
11769 elif command
in self._all_commands:
11770 self.do_command(command)
11772 self.unknown_command(command)
11774 def import_module(self, mod=None):
11775 modname = self.module_name
11776 if mod
is not None:
11777 modname +=
"." + mod
11778 return __import__(modname, {}, {}, [
''])
11780 def unknown_command(self, command):
11781 print(
"Unknown command: '%s'" % command)
11782 print(
"Use '%s help' for help." % self._progname)
11785 def _get_version(self):
11788 def show_version(self):
11789 print(self._progname +
' ' + self._get_version())
11791 def show_help(self):
11792 ver = self._get_version()
11793 print(
"%s, version %s." % (self._progname, ver))
11794 print(self.long_help +
"""
11796 This program is part of IMP, the Integrative Modeling Platform,
11798 For additional information about IMP, see <https://integrativemodeling.org>.
11800 Usage: %s <command> [options] [args]
11803 commands = self._all_commands[:] + [
'help']
11805 cmdlen = max([len(c)
for c
in commands])
11808 doc =
'Get help on using %s.' % self._progname
11810 doc = self.import_module(c).__doc__
or "<no help>"
11811 c +=
' ' * (cmdlen - len(c))
11812 print(
' ' + c +
' ' + doc)
11814 Use "%s help <command>" for detailed help on any command
11815 or "%s --version" to see the version number.""" % (self._progname,
11818 def do_command(self, command):
11819 mod = self.import_module(command)
11820 sys.argv[0] = self._progname +
' ' + command
11824 def show_command_help(self, command):
11825 if command ==
'help':
11827 elif command
in self._all_commands
or command ==
'help':
11828 mod = self.import_module(command)
11829 sys.argv = [self._progname +
' ' + command,
'--help']
11832 self.unknown_command(command)
11839 g = networkx.DiGraph()
11840 if len(ig.get_vertices()) == 0:
11849 return self.p.get_name()
11851 def __call__(self, name):
11852 return self.p.__call__(name)
11854 for vi
in ig.get_vertices():
11855 n = ig.get_vertex_name(vi)
11856 g.add_node(NodeWrapper(n))
11857 for vi
in ig.get_vertices():
11858 n = ig.get_vertex_name(vi)
11859 for ni
in ig.get_out_neighbors(vi):
11860 nn = ig.get_vertex_name(ni)
11861 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
11868 n0 = name.get_name()
11871 n1 = str(n0).replace(
'"',
'')
11872 n2 = n1.replace(
"\n",
'')
11875 from altgraph
import Graph, Dot
11876 graph = Graph.Graph()
11877 for i, v
in enumerate(g.get_vertices()):
11879 for i, v
in enumerate(g.get_vertices()):
11880 for n
in g.get_out_neighbors(v):
11881 graph.add_edge(v, n)
11882 dot = Dot.Dot(graph)
11883 for i, v
in enumerate(g.get_vertices()):
11884 dot.node_style(i, label=clean(g.get_vertex_name(v)))
11892 st = g.get_graphviz_string()
11893 with open(tfn,
"w")
as fh:
11896 print(
"running dot")
11897 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
11901 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")
11904 if platform.system() ==
"Darwin":
11907 cmd = [
"gv",
"acroread",
"xpdf"]
11910 print(
"launching viewer " + c)
11912 subprocess.check_call([c, tfon])
11918 print(
"Could not display file. It is saved at " + tfon)
11928 """Mark a Python module as deprecated.
11929 @note The `module` argument would normally be `__name__`.
11930 @see [deprecation support](@ref deprecation)."""
11932 "Module %s is deprecated. %s\n" % (module, help_message))
11935 """Python decorator to mark a class as deprecated.
11936 @see [deprecation support](@ref deprecation)."""
11938 orig_init = obj.__init__
11941 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
11942 def __init__(obj, *args, **keys):
11944 % (type(obj), help_message))
11945 orig_init(obj, *args, **keys)
11946 obj.__init__ = __init__
11951 """Python decorator to mark a method as deprecated.
11952 @see [deprecation support](@ref deprecation)."""
11953 def out_wrapper(obj):
11954 @functools.wraps(obj)
11955 def wrapper(cls, *args, **keys):
11957 % (obj.__name__, type(cls), help_message))
11958 return obj(cls, *args, **keys)
11963 """Python decorator to mark a function as deprecated.
11964 @see [deprecation support](@ref deprecation)."""
11965 def out_wrapper(obj):
11966 @functools.wraps(obj)
11967 def wrapper(*args, **keys):
11969 % (obj.__name__, help_message))
11970 return obj(*args, **keys)
11974 @contextlib.contextmanager
11976 """Context manager to temporarily allow (or disallow) deprecated code.
11977 @see [deprecation support](@ref deprecation)."""
11984 def _get_all_flags(ntokens):
11985 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
11986 return _IMP_kernel._get_all_flags(ntokens)
11988 def _print_internal_help(out, description):
11989 r"""_print_internal_help(_ostream out, std::string description)"""
11990 return _IMP_kernel._print_internal_help(out, description)
11996 class _PassThroughAction(argparse.Action):
11997 """Pass an argument through to the IMP Boost parser"""
11998 def __call__(self, parser, namespace, values, option_string=None):
11999 parser._boost_command_line.append(option_string)
12001 parser._boost_command_line.append(values)
12004 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
12005 parser._handle_boost()
12009 """IMP-specific subclass of argparse.ArgumentParser.
12010 This adds options common to all IMP applications
12011 (see IMP::setup_from_argv()).
12014 def __init__(self, *args, **kwargs):
12016 kwargs[
'add_help'] =
False
12017 super().__init__(*args, **kwargs)
12018 for ntoken
in (0, 1):
12019 flags = _get_all_flags(ntoken)
12021 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
12022 self.add_argument(*arg, help=argparse.SUPPRESS,
12023 nargs=
None if ntoken
else 0,
12024 action=_PassThroughAction,
12025 default=argparse.SUPPRESS)
12028 """Parse the command line and return optional and positional arguments.
12029 This functions in the same way as the method in the base class
12030 argparse.ArgumentParser, except that it also processes optional
12031 arguments common to all IMP applications (these are not returned
12032 in `args`, but can be obtained in the usual way, e.g. by calling
12033 IMP::get_string_flag()).
12036 self._boost_command_line = [sys.argv[0]]
12038 if len(self._boost_command_line) > 1:
12039 self._handle_boost()
12042 def _get_description(self):
12043 return self.format_help() +
"\nOptions common to all IMP applications:"
12045 def print_help(self, file=None):
12046 _print_internal_help(file
if file
else sys.stdout,
12047 self._get_description())
12049 def _handle_boost(self):
12051 self._get_description(),
12054 class RandomNumberGenerator(object):
12055 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
12057 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12058 __repr__ = _swig_repr
12061 r"""seed(RandomNumberGenerator self, int x)"""
12062 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
12064 def __call__(self):
12065 r"""__call__(RandomNumberGenerator self) -> int"""
12066 return _IMP_kernel.RandomNumberGenerator___call__(self)
12068 def get_state(self):
12069 r"""get_state(RandomNumberGenerator self) -> PyObject *"""
12070 return _IMP_kernel.RandomNumberGenerator_get_state(self)
12072 def set_state(self, p):
12073 r"""set_state(RandomNumberGenerator self, PyObject * p)"""
12074 return _IMP_kernel.RandomNumberGenerator_set_state(self, p)
12076 def __init__(self):
12077 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
12078 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
12079 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
12082 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
12086 get_random_float_uniform() -> float
12087 get_random_float_uniform(float min, float max) -> float
12089 return _IMP_kernel.get_random_float_uniform(*args)
12093 get_random_double_uniform() -> double
12094 get_random_double_uniform(double min, double max) -> double
12096 return _IMP_kernel.get_random_double_uniform(*args)
12098 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
12099 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
12100 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
12102 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
12103 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
12104 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
12106 def get_random_floats_uniform(n):
12107 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
12108 return _IMP_kernel.get_random_floats_uniform(n)
12110 def get_random_doubles_uniform(n):
12111 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
12112 return _IMP_kernel.get_random_doubles_uniform(n)
12115 r"""get_random_seed() -> boost::uint64_t"""
12116 return _IMP_kernel.get_random_seed()
12118 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
12119 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12120 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
12122 def _get_floats_numpy(m, k, m_pyobj, read_only):
12123 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12124 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
12126 def _get_ints_numpy(m, k, m_pyobj, read_only):
12127 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12128 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
12130 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
12131 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12132 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
12134 def _get_vector3dderiv_numpy(m, k, m_pyobj, read_only):
12135 r"""_get_vector3dderiv_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12136 return _IMP_kernel._get_vector3dderiv_numpy(m, k, m_pyobj, read_only)
12138 def _get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12139 r"""_get_vector3dderiv_derivatives_numpy(Model m, Vector3DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12140 return _IMP_kernel._get_vector3dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12142 def _get_vector4ds_numpy(m, k, m_pyobj, read_only):
12143 r"""_get_vector4ds_numpy(Model m, Vector4DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12144 return _IMP_kernel._get_vector4ds_numpy(m, k, m_pyobj, read_only)
12146 def _get_vector4dderiv_numpy(m, k, m_pyobj, read_only):
12147 r"""_get_vector4dderiv_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12148 return _IMP_kernel._get_vector4dderiv_numpy(m, k, m_pyobj, read_only)
12150 def _get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only):
12151 r"""_get_vector4dderiv_derivatives_numpy(Model m, Vector4DDerivKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12152 return _IMP_kernel._get_vector4dderiv_derivatives_numpy(m, k, m_pyobj, read_only)
12154 def _get_spheres_numpy(m, m_pyobj, read_only):
12155 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12156 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
12158 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
12159 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12160 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
12162 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
12163 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12164 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
12166 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
12167 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
12168 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
12172 ParticleIndex = numpy.intc
12173 except ImportError:
12178 """Warning for incomplete JAX support or different behavior of JAX code"""
12182 def get_module_name():
12183 r"""get_module_name() -> std::string const"""
12184 return _IMP_kernel.get_module_name()
12187 r"""get_module_version() -> std::string const"""
12188 return _IMP_kernel.get_module_version()
12191 r"""get_example_path(std::string fname) -> std::string"""
12192 return _IMP_kernel.get_example_path(fname)
12195 r"""get_data_path(std::string fname) -> std::string"""
12196 return _IMP_kernel.get_data_path(fname)
12198 from .
import _version_check
12203 random_number_generator = cvar.random_number_generator
Particle * get_particle(ParticleIndex p) const
Get the particle from an index.
A base class for modifiers of ParticlesTemp.
A class to store a configuration of a model.
def get_ints_numpy
Get the model's attribute array for IntKey k as a NumPy array.
VectorD< D > get_basis_vector_kd(int Di, unsigned int coordinate)
Return the basis vector for the given coordinate.
Abstract class for scoring object(s) of type ParticleIndexPair.
A shared container for Pairs.
void add_int_flag(std::string name, size_t default_value, std::string description)
Allow command line tools to easily implement multiple commands.
CheckLevel get_check_level()
Get the current audit mode.
VectorD< D > get_ones_vector_kd(unsigned int Di, double v=1)
Return a vector of ones (or another constant)
Key< 11 > TriggerKey
The type used to identify changed model properties.
Abstract predicate function.
Key< 0 > FloatKey
The type used to identify float attributes in the Particles.
def allow_deprecated
Context manager to temporarily allow (or disallow) deprecated code.
std::string get_unique_name(std::string templ)
Return a unique name produced from the string.
DependencyGraph get_dependency_graph(Model *m)
def get_floats_numpy
Get the model's attribute array for FloatKey k as a NumPy array.
Objects get_live_objects()
Return pointers to all live objects.
def get_derived_object
Return this object cast to the most derived subclass.
Vector< char > write_particles_to_buffer(const ParticlesTemp &particles, const FloatKeys &keys)
return a binary buffer with the data
Key< 13 > SparseIntKey
The type used to identify sparse int attributes in the Particles.
def main
Call this method to act upon the user-provided command line.
Key< 15 > SparseParticleIndexKey
The type used to identify sparse particle attributes in the Particles.
Vector3D get_orthogonal_vector(const Vector3D &v)
Return a vector that is perpendicular to the given vector.
boost::graph DependencyGraph
Directed graph on the interactions between the various objects in the model.
ContainersTemp get_input_containers(const ModelObjectsTemp &mos)
Return all the input particles for a given ModelObject.
def deprecated_module
Mark a Python module as deprecated.
Key< 16 > Vector3DKey
The type used to identify 3D vector attributes in the Particles.
Vector< VectorD< D > > get_vertices(const BoundingBoxD< D > &bb)
Return a list of the 2^D bounding points for the bounding box.
Array< 4, WeakPointer< Particle >, Particle * > ParticleQuad
bool get_bool_flag(std::string name)
VectorD< D > get_zero_vector_kd(int Di)
Return a dynamically sized vector of zeros.
void handle_use_deprecated(std::string message)
Break in this method in gdb to find deprecated uses at runtime.
void set_progress_display(std::string description, unsigned int steps)
Set up the progress bar with the passed description.
def deprecated_function
Python decorator to mark a function as deprecated.
virtual ::IMP::VersionInfo get_version_info() const override
Get information about the module and version of the object.
void remove_attribute(TypeKey attribute_key, ParticleIndex particle)
remove particle attribute with the specified key
Index< ParticleIndexTag > ParticleIndex
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
Key< 19 > Vector4DDerivKey
The type used to identify 4D vector attributes&derivatives in the Particles.
Key< 6 > ParticleIndexesKey
The type used to identify a particle attribute in the Particles.
Array< 3, WeakPointer< Particle >, Particle * > ParticleTriplet
ContainersTemp get_output_containers(const ModelObjectsTemp &mos)
Return all the output particles for a given ModelObject.
Base class for all samplers.
void add_particle(RMF::FileHandle fh, Particle *hs)
virtual void clear_caches()
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
void add_string_flag(std::string name, std::string default_value, std::string description)
LogLevel get_log_level()
Get the currently active global log level.
def get_sphere_derivatives_numpy
Get the model's XYZR attribute derivatives arrays as NumPy arrays.
void set_deprecation_warnings(bool tf)
Toggle printing of warnings on using deprecated classes.
Vector3D get_centroid(const Vector3Ds &ps)
Return the centroid of a set of vectors.
def get_numpy
Get the model's attribute array for any type of Key k as a NumPy array.
TextOutput create_temporary_file(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file. The path can be extracted from the TextOutput.
ParticlesTemp get_output_particles(const ModelObjectsTemp &mos)
Return all the output particles for a given ModelObject.
ScoringFunction * create_scoring_function(RestraintType *rs, double weight=1.0, double max=NO_MAX, std::string name=std::string())
Create a ScoringFunction on a single restraint.
A base class for modifiers of ParticlePairsTemp.
void write_help(std::ostream &out=std::cerr)
Key< 2 > StringKey
The type used to identify string attributes in the Particles.
size_t get_int_flag(std::string name)
Key< 10 > FloatsKey
The type used to identify float vector attributes in the Particles.
void add_restraint(RMF::FileHandle fh, Restraint *hs)
Key< 17 > Vector3DDerivKey
The type used to identify 3D vector attributes&derivatives in the Particles.
Abstract class for scoring object(s) of type ParticleIndexQuad.
Base class for objects in a Model that depend on other objects.
boost::uint64_t get_random_seed()
Return the initial random seed.
Abstract predicate function.
Key< 3 > ParticleIndexKey
The type used to identify a particle attribute in the Particles.
Strings get_live_object_names()
Return the names of all live objects.
void add_to_progress_display(unsigned int step=1)
Set the current progress.
void add_attribute(TypeKey attribute_key, ParticleIndex particle, Type value)
add particle attribute with the specified key and initial value
void add_float_flag(std::string name, double default_value, std::string description)
virtual void do_destroy()
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Common base class for heavy weight IMP objects.
ParticleIndexes get_particle_indexes(ParticlesTemp const &particles)
def deprecated_method
Python decorator to mark a method as deprecated.
Abstract class for scoring object(s) of type ParticleIndex.
Base class for all optimizers.
void reset_log_timer()
Reset the log timer.
void add_restraints(RMF::FileHandle fh, const Restraints &hs)
void add_to_log(LogLevel level, std::string to_write)
Write a string to the log, for Python.
def parse_args
Parse the command line and return optional and positional arguments.
def get_internal_coordinates_numpy
Get the model's internal coordinate array as a NumPy array.
double get_distance(const VectorD< D > &v1, const VectorD< D > &v2)
Compute the distance between two vectors.
void set_is_optimized(TypeKey attribute_key, ParticleIndex particle, bool true_or_false)
Key< 1 > IntKey
The type used to identify int attributes in the Particles.
Restraints create_decomposition(const RestraintsTemp &rs)
Return the decomposition of a list of restraints.
std::string get_relative_path(std::string base, std::string relative)
Return a path to a file relative to another file.
A class to store a set of configurations of a model.
A shared container for Quads.
def get_internal_coordinate_derivatives_numpy
Get the model's internal coordinate derivative array as a NumPy array.
A shared container for Singletons.
void set_deprecation_exceptions(bool tf)
Toggle whether an exception is thrown when a deprecated method is used.
def get_spheres_numpy
Get the model's XYZR attribute arrays as NumPy arrays.
Key< 4 > ObjectKey
The type used to identify an Object attribute.
Interface to specialized Particle types (e.g. atoms)
IMP-specific subclass of argparse.ArgumentParser.
def get_derivatives_numpy
Get the model's attribute derivatives array for key k as a NumPy array.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
std::string get_absolute_path(std::string file)
Convert a possibly relative path to an absolute path.
std::string get_executable_name()
Return the name of the current executable.
void set_log_level(LogLevel l)
Set the current global log level.
unsigned int get_number_of_threads()
float get_random_float_uniform()
Return a uniformly distributed float number in range [0..1)
def deprecated_object
Python decorator to mark a class as deprecated.
ParticlesTemp get_input_particles(const ModelObjectsTemp &mos)
Return all the input particles for a given ModelObject.
Base class for optimizers that act on individual attributes.
void set_show_leaked_objects(bool tf)
Set whether to complain about objects not being properly cleaned up.
Abstract predicate function.
bool get_deprecation_exceptions()
Get whether an exception is thrown when a deprecated method is used.
Represents a scoring function on the model.
void set_log_timer(bool tb)
Set whether log messages are tagged with the current log time.
void show_restraint_hierarchy(ScoringFunctionAdaptor rs, std::ostream &out=std::cout)
Print the hierarchy of restraints.
DependencyGraph get_pruned_dependency_graph(Model *m)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Warning for incomplete JAX support or different behavior of JAX code.
Object(std::string name)
Construct an object with the given name.
Array< 2, WeakPointer< Particle >, Particle * > ParticlePair
Key< 5 > IntsKey
The type used to identify int attributes in the Particles.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
Restraints create_restraints(RMF::FileConstHandle fh, Model *m)
Shared optimizer state that is invoked upon commitment of new coordinates.
Abstract predicate function.
Abstract class to implement hierarchical methods.
A base class for modifiers of ParticleTripletsTemp.
std::string show_graphviz(Graph g)
void set_check_level(CheckLevel l)
std::string get_string_flag(std::string name)
networkx::DiGraph get_networkx_graph(Graph g)
Key< 18 > Vector4DKey
The type used to identify 4D vector attributes in the Particles.
double get_random_double_uniform()
Return a uniformly distributed double number in range [0..1)
Key< 8 > ModelKey
The type used to identify data stored directly in the model.
A base class for modifiers of ParticleQuadsTemp.
Key< 14 > SparseFloatKey
The type used to identify sparse float attributes in the Particles.
A shared container for Triplets.
def get_vector3ds_numpy
Get the model's attribute array for Vector3DKey k as a NumPy array.
Vector3D get_vector_product(const Vector3D &p1, const Vector3D &p2)
Return the vector product (cross product) of two vectors.
Abstract class for scoring object(s) of type ParticleIndexTriplet.
void show_altgraph(Graph g)
void update()
Sometimes it is useful to be able to make sure the model is up to date.
void setup_from_argv(int argc, char **argv, std::string description)
Parse the command line flags and return the positional arguments.
void add_bool_flag(std::string name, std::string description)
ParticleIndexes get_indexes(const ParticlesTemp &ps)
Get the indexes from a list of particles.
Abstract class for containers of particles.
void read_particles_from_buffer(const Vector< char > &buffer, const ParticlesTemp &particles, const FloatKeys &keys)
load found attributes into the particles
Abstract single variable functor class for score functions.
void set_number_of_threads(unsigned int n)
double get_float_flag(std::string name)
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
ScoreStatesTemp get_update_order(ScoreStatesTemp input)
std::string get_module_version()
Return the version of this module, as a string.
std::string create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file.
A restraint is a term in an IMP ScoringFunction.
Key< 12 > SparseStringKey
The type used to identify sparse string attributes in the Particles.
std::string get_copyright()
Get the IMP copyright notice.