14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_KERNEL_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_KERNEL_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_kernel.delete_IMP_KERNEL_SwigPyIterator
77 r"""value(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
78 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_value(self)
81 r"""incr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
82 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_KERNEL_SwigPyIterator self, size_t n=1) -> IMP_KERNEL_SwigPyIterator"""
86 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
94 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_KERNEL_SwigPyIterator self) -> IMP_KERNEL_SwigPyIterator"""
98 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_copy(self)
101 r"""next(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
102 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_next(self)
105 r"""__next__(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
106 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___next__(self)
109 r"""previous(IMP_KERNEL_SwigPyIterator self) -> PyObject *"""
110 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
114 return _IMP_kernel.IMP_KERNEL_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
118 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> bool"""
122 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
126 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
130 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator"""
134 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_KERNEL_SwigPyIterator self, ptrdiff_t n) -> IMP_KERNEL_SwigPyIterator
139 __sub__(IMP_KERNEL_SwigPyIterator self, IMP_KERNEL_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_kernel.IMP_KERNEL_SwigPyIterator___sub__(self, *args)
146 _IMP_kernel.IMP_KERNEL_SwigPyIterator_swigregister(IMP_KERNEL_SwigPyIterator)
153 IMP_DEBUG = _IMP_kernel.IMP_DEBUG
155 IMP_RELEASE = _IMP_kernel.IMP_RELEASE
157 IMP_SILENT = _IMP_kernel.IMP_SILENT
159 IMP_PROGRESS = _IMP_kernel.IMP_PROGRESS
161 IMP_TERSE = _IMP_kernel.IMP_TERSE
163 IMP_VERBOSE = _IMP_kernel.IMP_VERBOSE
165 IMP_MEMORY = _IMP_kernel.IMP_MEMORY
167 IMP_NONE = _IMP_kernel.IMP_NONE
169 IMP_USAGE = _IMP_kernel.IMP_USAGE
171 IMP_INTERNAL = _IMP_kernel.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_kernel.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_kernel.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_kernel.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_kernel.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_kernel.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_kernel.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_kernel.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_kernel.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_kernel.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_kernel.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 DEFAULT_CHECK = _IMP_kernel.DEFAULT_CHECK
226 NONE = _IMP_kernel.NONE
228 USAGE = _IMP_kernel.USAGE
230 USAGE_AND_INTERNAL = _IMP_kernel.USAGE_AND_INTERNAL
234 r"""set_check_level(IMP::CheckLevel tf)"""
235 return _IMP_kernel.set_check_level(tf)
238 r"""get_check_level() -> IMP::CheckLevel"""
239 return _IMP_kernel.get_check_level()
241 from _IMP_kernel
import Exception, InternalException, ModelException, EventException
242 from _IMP_kernel
import UsageException, IndexException, IOException, ValueException
243 from _IMP_kernel
import TypeException
245 class _ostream(object):
246 r"""Proxy of C++ std::ostream class."""
248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
250 def __init__(self, *args, **kwargs):
251 raise AttributeError(
"No constructor defined")
252 __repr__ = _swig_repr
254 def write(self, osa_buf):
255 r"""write(_ostream self, char const * osa_buf)"""
256 return _IMP_kernel._ostream_write(self, osa_buf)
259 _IMP_kernel._ostream_swigregister(_ostream)
260 IMP_C_OPEN_BINARY = _IMP_kernel.IMP_C_OPEN_BINARY
263 from .
import _list_util
266 _models_set = weakref.WeakSet()
268 def _models_set_get(m):
269 for x
in _models_set:
274 _raii_types.append(
"SetLogState")
277 _raii_types.append(
"SetNumberOfThreads")
280 _raii_types.append(
"SetCheckState")
283 _object_types.append(
"Object")
286 def _object_cast_to_Object(o):
287 r"""_object_cast_to_Object(Object * o) -> Object"""
288 return _IMP_kernel._object_cast_to_Object(o)
290 _object_types.append(
"_TestObject")
293 def _object_cast_to__TestObject(o):
294 r"""_object_cast_to__TestObject(Object * o) -> _TestObject"""
295 return _IMP_kernel._object_cast_to__TestObject(o)
298 _plural_types.append(
"VersionInfos")
299 _value_types.append(
"VersionInfo")
302 _raii_types.append(
"CreateLogContext")
305 _raii_types.append(
"WarningContext")
308 _raii_types.append(
"SetLogTarget")
312 _plural_types.append(
"_TestValues")
313 _value_types.append(
"_TestValue")
317 _plural_types.append(
"Floats")
318 _value_types.append(
"Float")
322 _plural_types.append(
"Ints")
323 _value_types.append(
"Int")
327 _plural_types.append(
"Strings")
328 _value_types.append(
"String")
332 _plural_types.append(
"_Protections")
333 _value_types.append(
"_Protection")
335 class _InputAdaptor(object):
336 r"""Proxy of C++ IMP::InputAdaptor class."""
338 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
340 def __init__(self, *args, **kwargs):
341 raise AttributeError(
"No constructor defined")
342 __repr__ = _swig_repr
344 def __getstate__(self):
345 raise NotImplementedError(str(self.__class__)
346 +
" does not support serialization")
348 __swig_destroy__ = _IMP_kernel.delete__InputAdaptor
351 _IMP_kernel._InputAdaptor_swigregister(_InputAdaptor)
352 class _NonCopyable(object):
353 r"""Proxy of C++ IMP::NonCopyable class."""
355 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
357 def __init__(self, *args, **kwargs):
358 raise AttributeError(
"No constructor defined")
359 __repr__ = _swig_repr
360 __swig_destroy__ = _IMP_kernel.delete__NonCopyable
363 _IMP_kernel._NonCopyable_swigregister(_NonCopyable)
364 class _RAII(_NonCopyable):
365 r"""Proxy of C++ IMP::RAII class."""
367 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
369 def __init__(self, *args, **kwargs):
370 raise AttributeError(
"No constructor defined")
371 __repr__ = _swig_repr
372 __swig_destroy__ = _IMP_kernel.delete__RAII
375 _IMP_kernel._RAII_swigregister(_RAII)
376 class _Value(object):
377 r"""Proxy of C++ IMP::Value class."""
379 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
381 def __init__(self, *args, **kwargs):
382 raise AttributeError(
"No constructor defined")
383 __repr__ = _swig_repr
385 def __getstate__(self):
386 raise NotImplementedError(str(self.__class__)
387 +
" does not support serialization")
389 __swig_destroy__ = _IMP_kernel.delete__Value
392 _IMP_kernel._Value_swigregister(_Value)
395 r"""get_executable_name() -> std::string"""
396 return _IMP_kernel.get_executable_name()
400 setup_from_argv(IMP::Strings const & argv, std::string description)
401 setup_from_argv(IMP::Strings const & argv, std::string description, std::string positional_description, int num_positional) -> IMP::Strings
403 return _IMP_kernel.setup_from_argv(*args)
406 r"""add_string_flag(std::string name, std::string default_value, std::string description)"""
407 return _IMP_kernel.add_string_flag(name, default_value, description)
410 r"""get_string_flag(std::string name) -> std::string"""
411 return _IMP_kernel.get_string_flag(name)
414 r"""add_int_flag(std::string name, size_t default_value, std::string description)"""
415 return _IMP_kernel.add_int_flag(name, default_value, description)
418 r"""get_int_flag(std::string name) -> size_t"""
419 return _IMP_kernel.get_int_flag(name)
422 r"""add_bool_flag(std::string name, std::string description)"""
423 return _IMP_kernel.add_bool_flag(name, description)
426 r"""get_bool_flag(std::string name) -> bool"""
427 return _IMP_kernel.get_bool_flag(name)
430 r"""add_float_flag(std::string name, double default_value, std::string description)"""
431 return _IMP_kernel.add_float_flag(name, default_value, description)
434 r"""get_float_flag(std::string name) -> double"""
435 return _IMP_kernel.get_float_flag(name)
438 r"""write_help(_ostream out=std::cerr)"""
439 return _IMP_kernel.write_help(*args)
442 r"""get_is_quick_test() -> bool"""
443 return _IMP_kernel.get_is_quick_test()
444 DEFAULT = _IMP_kernel.DEFAULT
446 SILENT = _IMP_kernel.SILENT
448 WARNING = _IMP_kernel.WARNING
450 PROGRESS = _IMP_kernel.PROGRESS
452 TERSE = _IMP_kernel.TERSE
454 VERBOSE = _IMP_kernel.VERBOSE
456 MEMORY = _IMP_kernel.MEMORY
458 ALL_LOG = _IMP_kernel.ALL_LOG
460 class VersionInfo(_Value):
461 r"""Proxy of C++ IMP::VersionInfo class."""
463 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
465 def __init__(self, *args):
467 __init__(VersionInfo self, std::string module, std::string version) -> VersionInfo
468 __init__(VersionInfo self) -> VersionInfo
470 _IMP_kernel.VersionInfo_swiginit(self, _IMP_kernel.new_VersionInfo(*args))
472 def get_module(self):
473 r"""get_module(VersionInfo self) -> std::string"""
474 return _IMP_kernel.VersionInfo_get_module(self)
476 def get_version(self):
477 r"""get_version(VersionInfo self) -> std::string"""
478 return _IMP_kernel.VersionInfo_get_version(self)
480 def show(self, *args):
481 r"""show(VersionInfo self, _ostream out=std::cout)"""
482 return _IMP_kernel.VersionInfo_show(self, *args)
484 def __cmp__(self, o):
485 r"""__cmp__(VersionInfo self, VersionInfo o) -> int"""
486 return _IMP_kernel.VersionInfo___cmp__(self, o)
489 r"""__eq__(VersionInfo self, VersionInfo o) -> bool"""
490 return _IMP_kernel.VersionInfo___eq__(self, o)
493 r"""__ne__(VersionInfo self, VersionInfo o) -> bool"""
494 return _IMP_kernel.VersionInfo___ne__(self, o)
497 r"""__lt__(VersionInfo self, VersionInfo o) -> bool"""
498 return _IMP_kernel.VersionInfo___lt__(self, o)
501 r"""__gt__(VersionInfo self, VersionInfo o) -> bool"""
502 return _IMP_kernel.VersionInfo___gt__(self, o)
505 r"""__ge__(VersionInfo self, VersionInfo o) -> bool"""
506 return _IMP_kernel.VersionInfo___ge__(self, o)
509 r"""__le__(VersionInfo self, VersionInfo o) -> bool"""
510 return _IMP_kernel.VersionInfo___le__(self, o)
513 r"""__str__(VersionInfo self) -> std::string"""
514 return _IMP_kernel.VersionInfo___str__(self)
517 r"""__repr__(VersionInfo self) -> std::string"""
518 return _IMP_kernel.VersionInfo___repr__(self)
520 def _get_as_binary(self):
521 r"""_get_as_binary(VersionInfo self) -> PyObject *"""
522 return _IMP_kernel.VersionInfo__get_as_binary(self)
524 def _set_from_binary(self, p):
525 r"""_set_from_binary(VersionInfo self, PyObject * p)"""
526 return _IMP_kernel.VersionInfo__set_from_binary(self, p)
528 def __getstate__(self):
529 p = self._get_as_binary()
530 if len(self.__dict__) > 1:
531 d = self.__dict__.copy()
536 def __setstate__(self, p):
537 if not hasattr(self,
'this'):
539 if isinstance(p, tuple):
541 self.__dict__.update(d)
542 return self._set_from_binary(p)
544 __swig_destroy__ = _IMP_kernel.delete_VersionInfo
547 _IMP_kernel.VersionInfo_swigregister(VersionInfo)
548 class TextOutput(_InputAdaptor):
549 r"""Proxy of C++ IMP::TextOutput class."""
551 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
552 __repr__ = _swig_repr
554 def __init__(self, *args):
556 __init__(TextOutput self, int arg2) -> TextOutput
557 __init__(TextOutput self, double arg2) -> TextOutput
558 __init__(TextOutput self, char const * c, bool append=False) -> TextOutput
559 __init__(TextOutput self, IMP::TextProxy< std::ostream > p) -> TextOutput
560 __init__(TextOutput self) -> TextOutput
561 __init__(TextOutput self, std::string file_name, bool append=False) -> TextOutput
563 _IMP_kernel.TextOutput_swiginit(self, _IMP_kernel.new_TextOutput(*args))
565 def show(self, *args):
566 r"""show(TextOutput self, _ostream out=std::cout)"""
567 return _IMP_kernel.TextOutput_show(self, *args)
570 r"""get_name(TextOutput self) -> std::string"""
571 return _IMP_kernel.TextOutput_get_name(self)
572 __swig_destroy__ = _IMP_kernel.delete_TextOutput
575 _IMP_kernel.TextOutput_swigregister(TextOutput)
576 class TextInput(_InputAdaptor):
577 r"""Proxy of C++ IMP::TextInput class."""
579 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
580 __repr__ = _swig_repr
582 def __init__(self, *args):
584 __init__(TextInput self, int arg2) -> TextInput
585 __init__(TextInput self, double arg2) -> TextInput
586 __init__(TextInput self, char const * c) -> TextInput
587 __init__(TextInput self, IMP::TextProxy< std::istream > p) -> TextInput
588 __init__(TextInput self) -> TextInput
589 __init__(TextInput self, std::string file_name) -> TextInput
591 _IMP_kernel.TextInput_swiginit(self, _IMP_kernel.new_TextInput(*args))
593 def show(self, *args):
594 r"""show(TextInput self, _ostream out=std::cout)"""
595 return _IMP_kernel.TextInput_show(self, *args)
598 r"""get_name(TextInput self) -> std::string"""
599 return _IMP_kernel.TextInput_get_name(self)
601 def set_binary_open_mode(self, binary):
602 r"""set_binary_open_mode(TextInput self, bool binary)"""
603 return _IMP_kernel.TextInput_set_binary_open_mode(self, binary)
604 __swig_destroy__ = _IMP_kernel.delete_TextInput
607 _IMP_kernel.TextInput_swigregister(TextInput)
608 class SetLogTarget(_RAII):
609 r"""Proxy of C++ IMP::SetLogTarget class."""
611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
613 def __init__(self, *args):
615 __init__(SetLogTarget self) -> SetLogTarget
616 __init__(SetLogTarget self, TextOutput to) -> SetLogTarget
618 _IMP_kernel.SetLogTarget_swiginit(self, _IMP_kernel.new_SetLogTarget(*args))
621 r"""set(SetLogTarget self, TextOutput to)"""
622 return _IMP_kernel.SetLogTarget_set(self, to)
625 r"""reset(SetLogTarget self)"""
626 return _IMP_kernel.SetLogTarget_reset(self)
627 __swig_destroy__ = _IMP_kernel.delete_SetLogTarget
629 def show(self, *args):
630 r"""show(SetLogTarget self, _ostream out=std::cout)"""
631 return _IMP_kernel.SetLogTarget_show(self, *args)
635 def __exit__(self, exc_type, exc_val, exc_tb):
641 r"""__str__(SetLogTarget self) -> std::string"""
642 return _IMP_kernel.SetLogTarget___str__(self)
645 r"""__repr__(SetLogTarget self) -> std::string"""
646 return _IMP_kernel.SetLogTarget___repr__(self)
649 _IMP_kernel.SetLogTarget_swigregister(SetLogTarget)
652 r"""create_temporary_file(std::string prefix="imp_temp", std::string suffix="") -> TextOutput"""
653 return _IMP_kernel.create_temporary_file(*args)
656 r"""create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="") -> std::string"""
657 return _IMP_kernel.create_temporary_file_name(*args)
660 r"""get_relative_path(std::string base, std::string relative) -> std::string"""
661 return _IMP_kernel.get_relative_path(base, relative)
664 r"""get_absolute_path(std::string file) -> std::string"""
665 return _IMP_kernel.get_absolute_path(file)
667 def push_log_context(functionname, object):
668 r"""push_log_context(char const * functionname, void const * object)"""
669 return _IMP_kernel.push_log_context(functionname, object)
671 def pop_log_context():
672 r"""pop_log_context()"""
673 return _IMP_kernel.pop_log_context()
677 add_to_log(std::string to_write)
678 add_to_log(IMP::LogLevel level, std::string to_write)
680 return _IMP_kernel.add_to_log(*args)
683 r"""set_log_level(IMP::LogLevel l)"""
684 return _IMP_kernel.set_log_level(l)
687 r"""set_log_timer(bool tb)"""
688 return _IMP_kernel.set_log_timer(tb)
691 r"""reset_log_timer()"""
692 return _IMP_kernel.reset_log_timer()
695 r"""get_log_level() -> IMP::LogLevel"""
696 return _IMP_kernel.get_log_level()
699 r"""set_progress_display(std::string description, unsigned int steps)"""
700 return _IMP_kernel.set_progress_display(description, steps)
703 r"""add_to_progress_display(unsigned int step=1)"""
704 return _IMP_kernel.add_to_progress_display(step)
705 class Object(_NonCopyable):
706 r"""Proxy of C++ IMP::Object class."""
708 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
710 def __init__(self, name):
711 r"""__init__(Object self, std::string name) -> Object"""
712 if self.__class__ == Object:
716 _IMP_kernel.Object_swiginit(self, _IMP_kernel.new_Object(_self, name))
718 if self.__class__ != Object:
719 _director_objects.register(self)
723 __swig_destroy__ = _IMP_kernel.delete_Object
726 r"""__hash__(Object self) -> std::size_t"""
727 return _IMP_kernel.Object___hash__(self)
730 r"""set_log_level(Object self, IMP::LogLevel l)"""
731 return _IMP_kernel.Object_set_log_level(self, l)
734 r"""set_check_level(Object self, IMP::CheckLevel l)"""
735 return _IMP_kernel.Object_set_check_level(self, l)
738 r"""get_log_level(Object self) -> IMP::LogLevel"""
739 return _IMP_kernel.Object_get_log_level(self)
742 r"""get_check_level(Object self) -> IMP::CheckLevel"""
743 return _IMP_kernel.Object_get_check_level(self)
745 def get_version_info(self):
746 r"""get_version_info(Object self) -> VersionInfo"""
747 val = _IMP_kernel.Object_get_version_info(self)
748 if val.get_module() ==
'none':
755 r"""get_name(Object self) -> std::string const &"""
756 return _IMP_kernel.Object_get_name(self)
758 def set_name(self, name):
759 r"""set_name(Object self, std::string name)"""
760 return _IMP_kernel.Object_set_name(self, name)
762 def get_type_name(self):
763 r"""get_type_name(Object self) -> std::string"""
764 val = _IMP_kernel.Object_get_type_name(self)
765 if val ==
'unknown object type':
766 val = self.__class__.__name__
769 def set_was_used(self, tf):
770 r"""set_was_used(Object self, bool tf)"""
771 return _IMP_kernel.Object_set_was_used(self, tf)
773 def show(self, *args):
774 r"""show(Object self, _ostream out=std::cout)"""
775 return _IMP_kernel.Object_show(self, *args)
777 def get_string(self):
778 r"""get_string(Object self) -> std::string"""
779 return _IMP_kernel.Object_get_string(self)
781 def _on_destruction(self):
782 r"""_on_destruction(Object self)"""
783 return _IMP_kernel.Object__on_destruction(self)
785 def get_is_valid(self):
786 r"""get_is_valid(Object self) -> bool"""
787 return _IMP_kernel.Object_get_is_valid(self)
789 def get_ref_count(self):
790 r"""get_ref_count(Object self) -> unsigned int"""
791 return _IMP_kernel.Object_get_ref_count(self)
794 def get_number_of_live_objects():
795 r"""get_number_of_live_objects() -> unsigned int"""
796 return _IMP_kernel.Object_get_number_of_live_objects()
798 def get_is_shared(self):
799 r"""get_is_shared(Object self) -> bool"""
800 return _IMP_kernel.Object_get_is_shared(self)
802 def clear_caches(self):
803 r"""clear_caches(Object self)"""
804 return _IMP_kernel.Object_clear_caches(self)
806 def do_destroy(self):
807 r"""do_destroy(Object self)"""
808 return _IMP_kernel.Object_do_destroy(self)
810 def __getstate__(self):
811 raise NotImplementedError(str(self.__class__)
812 +
" does not support serialization")
816 r"""__eq__(Object self, Object o) -> bool"""
817 return _IMP_kernel.Object___eq__(self, o)
820 r"""__ne__(Object self, Object o) -> bool"""
821 return _IMP_kernel.Object___ne__(self, o)
824 r"""__le__(Object self, Object o) -> bool"""
825 return _IMP_kernel.Object___le__(self, o)
828 r"""__lt__(Object self, Object o) -> bool"""
829 return _IMP_kernel.Object___lt__(self, o)
832 r"""__ge__(Object self, Object o) -> bool"""
833 return _IMP_kernel.Object___ge__(self, o)
836 r"""__gt__(Object self, Object o) -> bool"""
837 return _IMP_kernel.Object___gt__(self, o)
839 def _get_director_object(self):
840 r"""_get_director_object(Object self) -> PyObject *"""
841 return _IMP_kernel.Object__get_director_object(self)
844 """Return this object cast to the most derived subclass."""
846 pyobj = self._get_director_object()
847 if pyobj
is not None:
851 modname = self.get_version_info().get_module().replace(
'::',
'.')
852 type_name = self.get_type_name()
855 if modname ==
'IMP' and type_name ==
'GenericRestraintsScoringFunction':
857 type_name =
'RestraintsScoringFunction'
858 elif (modname ==
'IMP.core'
859 and type_name ==
'GenericBoundingBox3DSingletonScore'):
860 type_name =
'BoundingBox3DSingletonScore'
861 elif modname ==
'IMP' and type_name ==
'RestraintScoringFunction':
865 modobj = sys.modules[modname]
866 clsobj = getattr(modobj, type_name)
867 return clsobj.get_from(self)
871 r"""__str__(Object self) -> std::string"""
872 return _IMP_kernel.Object___str__(self)
875 r"""__repr__(Object self) -> std::string"""
876 return _IMP_kernel.Object___repr__(self)
880 return _object_cast_to_Object(o)
882 def __disown__(self):
884 _IMP_kernel.disown_Object(self)
885 return weakref.proxy(self)
888 _IMP_kernel.Object_swigregister(Object)
889 class SetLogState(_RAII):
890 r"""Proxy of C++ IMP::SetLogState class."""
892 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
895 r"""reset(SetLogState self)"""
896 return _IMP_kernel.SetLogState_reset(self)
897 __swig_destroy__ = _IMP_kernel.delete_SetLogState
899 def show(self, *args):
900 r"""show(SetLogState self, _ostream out=std::cout)"""
901 return _IMP_kernel.SetLogState_show(self, *args)
903 def __init__(self, *args):
905 __init__(SetLogState self) -> SetLogState
906 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
907 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
909 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
911 def set(self, *args):
913 set(SetLogState self, Object o, IMP::LogLevel l)
914 set(SetLogState self, IMP::LogLevel l)
916 return _IMP_kernel.SetLogState_set(self, *args)
920 def __exit__(self, exc_type, exc_val, exc_tb):
926 r"""__str__(SetLogState self) -> std::string"""
927 return _IMP_kernel.SetLogState___str__(self)
930 r"""__repr__(SetLogState self) -> std::string"""
931 return _IMP_kernel.SetLogState___repr__(self)
934 _IMP_kernel.SetLogState_swigregister(SetLogState)
935 class WarningContext(object):
936 r"""Proxy of C++ IMP::WarningContext class."""
938 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
939 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
941 def add_warning(self, key, warning):
942 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
943 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
945 def clear_warnings(self):
946 r"""clear_warnings(WarningContext self)"""
947 return _IMP_kernel.WarningContext_clear_warnings(self)
949 def dump_warnings(self):
950 r"""dump_warnings(WarningContext self)"""
951 return _IMP_kernel.WarningContext_dump_warnings(self)
952 __swig_destroy__ = _IMP_kernel.delete_WarningContext
954 def show(self, *args):
955 r"""show(WarningContext self, _ostream out=std::cout)"""
956 return _IMP_kernel.WarningContext_show(self, *args)
960 def __exit__(self, exc_type, exc_val, exc_tb):
966 r"""__str__(WarningContext self) -> std::string"""
967 return _IMP_kernel.WarningContext___str__(self)
970 r"""__repr__(WarningContext self) -> std::string"""
971 return _IMP_kernel.WarningContext___repr__(self)
974 r"""__init__(WarningContext self) -> WarningContext"""
975 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
978 _IMP_kernel.WarningContext_swigregister(WarningContext)
979 class CreateLogContext(_RAII):
980 r"""Proxy of C++ IMP::CreateLogContext class."""
982 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
984 def __init__(self, *args):
986 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
987 __init__(CreateLogContext self) -> CreateLogContext
988 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
990 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
992 def set(self, fname, object=None):
993 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
994 return _IMP_kernel.CreateLogContext_set(self, fname, object)
997 r"""reset(CreateLogContext self)"""
998 return _IMP_kernel.CreateLogContext_reset(self)
999 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1001 def show(self, *args):
1002 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1003 return _IMP_kernel.CreateLogContext_show(self, *args)
1005 def __enter__(self):
1007 def __exit__(self, exc_type, exc_val, exc_tb):
1013 r"""__str__(CreateLogContext self) -> std::string"""
1014 return _IMP_kernel.CreateLogContext___str__(self)
1017 r"""__repr__(CreateLogContext self) -> std::string"""
1018 return _IMP_kernel.CreateLogContext___repr__(self)
1021 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1022 class SetCheckState(_RAII):
1023 r"""Proxy of C++ IMP::SetCheckState class."""
1025 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1028 r"""reset(SetCheckState self)"""
1029 return _IMP_kernel.SetCheckState_reset(self)
1030 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1032 def show(self, *args):
1033 r"""show(SetCheckState self, _ostream out=std::cout)"""
1034 return _IMP_kernel.SetCheckState_show(self, *args)
1036 def __init__(self, *args):
1038 __init__(SetCheckState self) -> SetCheckState
1039 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1040 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1042 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1044 def set(self, *args):
1046 set(SetCheckState self, Object o, IMP::CheckLevel l)
1047 set(SetCheckState self, IMP::CheckLevel l)
1049 return _IMP_kernel.SetCheckState_set(self, *args)
1051 def __enter__(self):
1053 def __exit__(self, exc_type, exc_val, exc_tb):
1059 r"""__str__(SetCheckState self) -> std::string"""
1060 return _IMP_kernel.SetCheckState___str__(self)
1063 r"""__repr__(SetCheckState self) -> std::string"""
1064 return _IMP_kernel.SetCheckState___repr__(self)
1067 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1070 r"""get_unique_name(std::string templ) -> std::string"""
1071 return _IMP_kernel.get_unique_name(templ)
1074 r"""get_copyright() -> std::string"""
1075 return _IMP_kernel.get_copyright()
1076 class _Protection(object):
1077 r"""Proxy of C++ IMP::internal::_Protection class."""
1079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1081 def __init__(self, *args, **kwargs):
1082 raise AttributeError(
"No constructor defined")
1084 def show(self, *args):
1085 r"""show(_Protection self, _ostream out=std::cout)"""
1086 return _IMP_kernel._Protection_show(self, *args)
1089 r"""__str__(_Protection self) -> std::string"""
1090 return _IMP_kernel._Protection___str__(self)
1093 r"""__repr__(_Protection self) -> std::string"""
1094 return _IMP_kernel._Protection___repr__(self)
1095 __swig_destroy__ = _IMP_kernel.delete__Protection
1098 _IMP_kernel._Protection_swigregister(_Protection)
1102 return _IMP_kernel._test_log()
1104 def _test_intranges(ips):
1105 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1106 return _IMP_kernel._test_intranges(ips)
1108 def _test_intrange(*args):
1110 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1111 _test_intrange() -> IMP::IntRange
1113 return _IMP_kernel._test_intrange(*args)
1116 r"""_test_ifile(TextInput a) -> std::string"""
1117 return _IMP_kernel._test_ifile(a)
1120 r"""_test_ofile(TextOutput a) -> std::string"""
1121 return _IMP_kernel._test_ofile(a)
1123 def _test_ifile_overloaded(*args):
1125 _test_ifile_overloaded(TextInput a, int i) -> std::string
1126 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1128 return _IMP_kernel._test_ifile_overloaded(*args)
1130 def _test_ofile_overloaded(*args):
1132 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1133 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1135 return _IMP_kernel._test_ofile_overloaded(*args)
1136 class _TestValue(object):
1137 r"""Proxy of C++ IMP::internal::_TestValue class."""
1139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1141 def __init__(self, i):
1142 r"""__init__(_TestValue self, int i) -> _TestValue"""
1143 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1145 def show(self, *args):
1146 r"""show(_TestValue self, _ostream out=std::cout)"""
1147 return _IMP_kernel._TestValue_show(self, *args)
1149 def __cmp__(self, o):
1150 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1151 return _IMP_kernel._TestValue___cmp__(self, o)
1153 def __eq__(self, o):
1154 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1155 return _IMP_kernel._TestValue___eq__(self, o)
1157 def __ne__(self, o):
1158 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1159 return _IMP_kernel._TestValue___ne__(self, o)
1161 def __lt__(self, o):
1162 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1163 return _IMP_kernel._TestValue___lt__(self, o)
1165 def __gt__(self, o):
1166 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1167 return _IMP_kernel._TestValue___gt__(self, o)
1169 def __ge__(self, o):
1170 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1171 return _IMP_kernel._TestValue___ge__(self, o)
1173 def __le__(self, o):
1174 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1175 return _IMP_kernel._TestValue___le__(self, o)
1178 r"""get(_TestValue self) -> int"""
1179 return _IMP_kernel._TestValue_get(self)
1181 def get_float(self):
1182 r"""get_float(_TestValue self) -> float const &"""
1183 return _IMP_kernel._TestValue_get_float(self)
1185 def get_double(self):
1186 r"""get_double(_TestValue self) -> double const &"""
1187 return _IMP_kernel._TestValue_get_double(self)
1189 def get_Float(self):
1190 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1191 return _IMP_kernel._TestValue_get_Float(self)
1194 r"""get_int(_TestValue self) -> int const &"""
1195 return _IMP_kernel._TestValue_get_int(self)
1198 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1199 return _IMP_kernel._TestValue_get_Int(self)
1201 def get_string(self):
1202 r"""get_string(_TestValue self) -> std::string const &"""
1203 return _IMP_kernel._TestValue_get_string(self)
1205 def get_String(self):
1206 r"""get_String(_TestValue self) -> IMP::String const &"""
1207 return _IMP_kernel._TestValue_get_String(self)
1210 r"""__str__(_TestValue self) -> std::string"""
1211 return _IMP_kernel._TestValue___str__(self)
1214 r"""__repr__(_TestValue self) -> std::string"""
1215 return _IMP_kernel._TestValue___repr__(self)
1216 __swig_destroy__ = _IMP_kernel.delete__TestValue
1219 _IMP_kernel._TestValue_swigregister(_TestValue)
1221 def _pass_plain_pair(p):
1222 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1223 return _IMP_kernel._pass_plain_pair(p)
1225 def _pass_overloaded_strings(*args):
1227 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1228 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1230 return _IMP_kernel._pass_overloaded_strings(*args)
1233 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1234 return _IMP_kernel._pass_pair(p)
1236 def _pass_floats(input):
1237 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1238 return _IMP_kernel._pass_floats(input)
1240 def _pass_ints(input):
1241 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1242 return _IMP_kernel._pass_ints(input)
1244 def _pass_ints_list(input):
1245 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1246 return _IMP_kernel._pass_ints_list(input)
1248 def _pass_ints_lists(input):
1249 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1250 return _IMP_kernel._pass_ints_lists(input)
1252 def _pass_strings(input):
1253 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1254 return _IMP_kernel._pass_strings(input)
1255 class _TestObject(
Object):
1256 r"""Proxy of C++ IMP::internal::_TestObject class."""
1258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1261 r"""__init__(_TestObject self) -> _TestObject"""
1262 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1265 r"""get_version_info(_TestObject self) -> VersionInfo"""
1266 return _IMP_kernel._TestObject_get_version_info(self)
1267 __swig_destroy__ = _IMP_kernel.delete__TestObject
1270 r"""__str__(_TestObject self) -> std::string"""
1271 return _IMP_kernel._TestObject___str__(self)
1274 r"""__repr__(_TestObject self) -> std::string"""
1275 return _IMP_kernel._TestObject___repr__(self)
1279 return _object_cast_to__TestObject(o)
1283 _IMP_kernel._TestObject_swigregister(_TestObject)
1286 r"""get_live_object_names() -> IMP::Strings"""
1287 return _IMP_kernel.get_live_object_names()
1290 r"""get_live_objects() -> IMP::Objects"""
1291 return _IMP_kernel.get_live_objects()
1294 r"""set_show_leaked_objects(bool tf)"""
1295 return _IMP_kernel.set_show_leaked_objects(tf)
1298 r"""set_deprecation_warnings(bool tf)"""
1299 return _IMP_kernel.set_deprecation_warnings(tf)
1302 r"""set_deprecation_exceptions(bool tf)"""
1303 return _IMP_kernel.set_deprecation_exceptions(tf)
1306 r"""get_deprecation_exceptions() -> bool"""
1307 return _IMP_kernel.get_deprecation_exceptions()
1310 r"""handle_use_deprecated(std::string message)"""
1311 return _IMP_kernel.handle_use_deprecated(message)
1314 r"""get_number_of_threads() -> unsigned int"""
1315 return _IMP_kernel.get_number_of_threads()
1318 r"""set_number_of_threads(unsigned int n)"""
1319 return _IMP_kernel.set_number_of_threads(n)
1320 class SetNumberOfThreads(_RAII):
1321 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1323 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1325 def __init__(self, *args):
1327 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1328 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1330 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1333 r"""set(SetNumberOfThreads self, unsigned int n)"""
1334 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1337 r"""reset(SetNumberOfThreads self)"""
1338 return _IMP_kernel.SetNumberOfThreads_reset(self)
1339 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1341 def show(self, *args):
1342 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1343 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1345 def __enter__(self):
1347 def __exit__(self, exc_type, exc_val, exc_tb):
1353 r"""__str__(SetNumberOfThreads self) -> std::string"""
1354 return _IMP_kernel.SetNumberOfThreads___str__(self)
1357 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1358 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1361 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1364 i_m_p=
"IMP_MODULE_PATH"
1365 if i_m_p
in os.environ.keys():
1366 __path__.insert(0, os.environ[i_m_p])
1368 def _forward_add_attribute(self, name, value, opt=None):
1370 self.get_particle().add_attribute(name, value, opt)
1372 self.get_particle().add_attribute(name, value)
1373 def _forward_get_value(self, name):
1374 self.get_particle().get_value(name)
1375 def _forward_set_value(self, name, value):
1376 self.get_particle().set_value(name, value)
1382 _object_types.append(
"Constraint")
1385 def _object_cast_to_Constraint(o):
1386 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1387 return _IMP_kernel._object_cast_to_Constraint(o)
1389 _object_types.append(
"Undecorator")
1392 def _object_cast_to_Undecorator(o):
1393 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1394 return _IMP_kernel._object_cast_to_Undecorator(o)
1396 _object_types.append(
"Container")
1399 def _object_cast_to_Container(o):
1400 r"""_object_cast_to_Container(Object o) -> Container"""
1401 return _IMP_kernel._object_cast_to_Container(o)
1403 _object_types.append(
"Optimizer")
1406 def _object_cast_to_Optimizer(o):
1407 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1408 return _IMP_kernel._object_cast_to_Optimizer(o)
1410 _object_types.append(
"AttributeOptimizer")
1413 def _object_cast_to_AttributeOptimizer(o):
1414 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1415 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1417 _object_types.append(
"OptimizerState")
1420 def _object_cast_to_OptimizerState(o):
1421 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1422 return _IMP_kernel._object_cast_to_OptimizerState(o)
1424 _object_types.append(
"PairContainer")
1427 def _object_cast_to_PairContainer(o):
1428 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1429 return _IMP_kernel._object_cast_to_PairContainer(o)
1431 _object_types.append(
"PairModifier")
1434 def _object_cast_to_PairModifier(o):
1435 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1436 return _IMP_kernel._object_cast_to_PairModifier(o)
1438 _object_types.append(
"PairScore")
1441 def _object_cast_to_PairScore(o):
1442 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1443 return _IMP_kernel._object_cast_to_PairScore(o)
1445 _object_types.append(
"QuadContainer")
1448 def _object_cast_to_QuadContainer(o):
1449 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1450 return _IMP_kernel._object_cast_to_QuadContainer(o)
1452 _object_types.append(
"QuadModifier")
1455 def _object_cast_to_QuadModifier(o):
1456 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1457 return _IMP_kernel._object_cast_to_QuadModifier(o)
1459 _object_types.append(
"QuadScore")
1462 def _object_cast_to_QuadScore(o):
1463 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1464 return _IMP_kernel._object_cast_to_QuadScore(o)
1466 _object_types.append(
"Refiner")
1469 def _object_cast_to_Refiner(o):
1470 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1471 return _IMP_kernel._object_cast_to_Refiner(o)
1473 _object_types.append(
"Restraint")
1476 def _object_cast_to_Restraint(o):
1477 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1478 return _IMP_kernel._object_cast_to_Restraint(o)
1480 _object_types.append(
"Sampler")
1483 def _object_cast_to_Sampler(o):
1484 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1485 return _IMP_kernel._object_cast_to_Sampler(o)
1487 _object_types.append(
"ScoreState")
1490 def _object_cast_to_ScoreState(o):
1491 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
1492 return _IMP_kernel._object_cast_to_ScoreState(o)
1494 _object_types.append(
"SingletonContainer")
1497 def _object_cast_to_SingletonContainer(o):
1498 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
1499 return _IMP_kernel._object_cast_to_SingletonContainer(o)
1501 _object_types.append(
"SingletonModifier")
1504 def _object_cast_to_SingletonModifier(o):
1505 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
1506 return _IMP_kernel._object_cast_to_SingletonModifier(o)
1508 _object_types.append(
"SingletonScore")
1511 def _object_cast_to_SingletonScore(o):
1512 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
1513 return _IMP_kernel._object_cast_to_SingletonScore(o)
1515 _object_types.append(
"TripletContainer")
1518 def _object_cast_to_TripletContainer(o):
1519 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
1520 return _IMP_kernel._object_cast_to_TripletContainer(o)
1522 _object_types.append(
"TripletModifier")
1525 def _object_cast_to_TripletModifier(o):
1526 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
1527 return _IMP_kernel._object_cast_to_TripletModifier(o)
1529 _object_types.append(
"TripletScore")
1532 def _object_cast_to_TripletScore(o):
1533 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
1534 return _IMP_kernel._object_cast_to_TripletScore(o)
1536 _object_types.append(
"UnaryFunction")
1539 def _object_cast_to_UnaryFunction(o):
1540 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
1541 return _IMP_kernel._object_cast_to_UnaryFunction(o)
1543 _object_types.append(
"RestraintInfo")
1546 def _object_cast_to_RestraintInfo(o):
1547 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
1548 return _IMP_kernel._object_cast_to_RestraintInfo(o)
1550 _object_types.append(
"ConfigurationSet")
1553 def _object_cast_to_ConfigurationSet(o):
1554 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
1555 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
1557 _object_types.append(
"Configuration")
1560 def _object_cast_to_Configuration(o):
1561 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
1562 return _IMP_kernel._object_cast_to_Configuration(o)
1564 _object_types.append(
"Model")
1567 def _object_cast_to_Model(o):
1568 r"""_object_cast_to_Model(Object o) -> Model"""
1569 return _IMP_kernel._object_cast_to_Model(o)
1571 _object_types.append(
"Particle")
1574 def _object_cast_to_Particle(o):
1575 r"""_object_cast_to_Particle(Object o) -> Particle"""
1576 return _IMP_kernel._object_cast_to_Particle(o)
1578 _object_types.append(
"RestraintSet")
1581 def _object_cast_to_RestraintSet(o):
1582 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
1583 return _IMP_kernel._object_cast_to_RestraintSet(o)
1585 ParticlePairsTemp=list
1586 _plural_types.append(
"ParticlePairsTemp")
1587 _value_types.append(
"ParticlePair")
1590 ParticleTripletsTemp=list
1591 _plural_types.append(
"ParticleTripletsTemp")
1592 _value_types.append(
"ParticleTriplet")
1595 ParticleQuadsTemp=list
1596 _plural_types.append(
"ParticleQuadsTemp")
1597 _value_types.append(
"ParticleQuad")
1600 ParticleIndexPairs=list
1601 _plural_types.append(
"ParticleIndexPairs")
1602 _value_types.append(
"ParticleIndexPair")
1605 ParticleIndexTriplets=list
1606 _plural_types.append(
"ParticleIndexTriplets")
1607 _value_types.append(
"ParticleIndexTriplet")
1610 ParticleIndexQuads=list
1611 _plural_types.append(
"ParticleIndexQuads")
1612 _value_types.append(
"ParticleIndexQuad")
1615 _object_types.append(
"SingletonPredicate")
1618 def _object_cast_to_SingletonPredicate(o):
1619 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
1620 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
1622 _object_types.append(
"PairPredicate")
1625 def _object_cast_to_PairPredicate(o):
1626 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
1627 return _IMP_kernel._object_cast_to_PairPredicate(o)
1629 _object_types.append(
"TripletPredicate")
1632 def _object_cast_to_TripletPredicate(o):
1633 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
1634 return _IMP_kernel._object_cast_to_TripletPredicate(o)
1636 _object_types.append(
"QuadPredicate")
1639 def _object_cast_to_QuadPredicate(o):
1640 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
1641 return _IMP_kernel._object_cast_to_QuadPredicate(o)
1643 _object_types.append(
"SaveToConfigurationSetOptimizerState")
1646 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
1647 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
1648 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
1650 EvaluationStates=list
1651 _plural_types.append(
"EvaluationStates")
1652 _value_types.append(
"EvaluationState")
1655 ScoreAccumulators=list
1656 _plural_types.append(
"ScoreAccumulators")
1657 _value_types.append(
"ScoreAccumulator")
1660 ParticleIndexes=list
1661 _plural_types.append(
"ParticleIndexes")
1662 _value_types.append(
"ParticleIndex")
1666 _plural_types.append(
"FloatIndexes")
1667 _value_types.append(
"FloatIndex")
1671 _plural_types.append(
"FloatKeys")
1672 _value_types.append(
"FloatKey")
1676 _plural_types.append(
"FloatsKeys")
1677 _value_types.append(
"FloatsKey")
1681 _plural_types.append(
"IntKeys")
1682 _value_types.append(
"IntKey")
1686 _plural_types.append(
"IntsKeys")
1687 _value_types.append(
"IntsKey")
1691 _plural_types.append(
"StringKeys")
1692 _value_types.append(
"StringKey")
1695 ParticleIndexKeys=list
1696 _plural_types.append(
"ParticleIndexKeys")
1697 _value_types.append(
"ParticleIndexKey")
1700 ParticleIndexesKeys=list
1701 _plural_types.append(
"ParticleIndexesKeys")
1702 _value_types.append(
"ParticleIndexesKey")
1706 _plural_types.append(
"ObjectKeys")
1707 _value_types.append(
"ObjectKey")
1711 _plural_types.append(
"ModelKeys")
1712 _value_types.append(
"ModelKey")
1716 _plural_types.append(
"TriggerKeys")
1717 _value_types.append(
"TriggerKey")
1720 SparseFloatKeys=list
1721 _plural_types.append(
"SparseFloatKeys")
1722 _value_types.append(
"SparseFloatKey")
1726 _plural_types.append(
"SparseIntKeys")
1727 _value_types.append(
"SparseIntKey")
1730 SparseStringKeys=list
1731 _plural_types.append(
"SparseStringKeys")
1732 _value_types.append(
"SparseStringKey")
1735 SparseParticleIndexKeys=list
1736 _plural_types.append(
"SparseParticleIndexKeys")
1737 _value_types.append(
"SparseParticleIndexKey")
1741 _plural_types.append(
"Vector3DKeys")
1742 _value_types.append(
"Vector3DKey")
1745 _raii_types.append(
"ScopedSetFloatAttribute")
1748 _object_types.append(
"ScoringFunction")
1751 def _object_cast_to_ScoringFunction(o):
1752 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
1753 return _IMP_kernel._object_cast_to_ScoringFunction(o)
1755 _object_types.append(
"ModelObject")
1758 def _object_cast_to_ModelObject(o):
1759 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
1760 return _IMP_kernel._object_cast_to_ModelObject(o)
1762 def _TrivialDecorators(l=[]):
1763 return [_TrivialDecorator(x)
for x
in l]
1764 _plural_types.append(
"_TrivialDecorators")
1767 _value_types.append(
"_TrivialDecorator")
1770 def _TrivialDerivedDecorators(l=[]):
1771 return [_TrivialDerivedDecorator(x)
for x
in l]
1772 _plural_types.append(
"_TrivialDerivedDecorators")
1775 _value_types.append(
"_TrivialDerivedDecorator")
1778 def _TrivialTraitsDecorators(l=[]):
1779 return [_TrivialTraitsDecorator(x)
for x
in l]
1780 _plural_types.append(
"_TrivialTraitsDecorators")
1783 _value_types.append(
"_TrivialTraitsDecorator")
1786 _object_types.append(
"_ConstRestraint")
1789 def _object_cast_to__ConstRestraint(o):
1790 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
1791 return _IMP_kernel._object_cast_to__ConstRestraint(o)
1793 _object_types.append(
"_ConstOptimizer")
1796 def _object_cast_to__ConstOptimizer(o):
1797 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
1798 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
1800 _object_types.append(
"_ConstSingletonScore")
1803 def _object_cast_to__ConstSingletonScore(o):
1804 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
1805 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
1807 _object_types.append(
"_ConstPairScore")
1810 def _object_cast_to__ConstPairScore(o):
1811 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
1812 return _IMP_kernel._object_cast_to__ConstPairScore(o)
1814 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
1816 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1817 __repr__ = _swig_repr
1820 r"""__init__(DependencyGraph self) -> DependencyGraph"""
1821 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
1823 def get_graph(self):
1824 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
1825 return _IMP_kernel.DependencyGraph_get_graph(self)
1828 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
1829 return _IMP_kernel.DependencyGraph_get_vertices(self)
1831 def get_vertex_name(self, i):
1832 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
1833 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
1835 def get_in_neighbors(self, v):
1836 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"""
1837 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
1839 def get_out_neighbors(self, v):
1840 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"""
1841 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
1844 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
1845 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
1847 def get_graphviz_string(self):
1848 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
1849 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
1851 def add_edge(self, v0, v1):
1852 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)"""
1853 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
1855 def add_vertex(self, l):
1856 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
1857 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
1859 def remove_vertex(self, l):
1860 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
1861 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
1862 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
1865 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
1867 _value_types.append(
"DependencyGraph")
1870 r"""Proxy of C++ IMP::Key< 0 > class."""
1872 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1874 def __init__(self, *args):
1876 __init__(FloatKey self) -> FloatKey
1877 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
1878 __init__(FloatKey self, unsigned int i) -> FloatKey
1880 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
1884 r"""add_key(std::string sc) -> unsigned int"""
1885 return _IMP_kernel.FloatKey_add_key(sc)
1888 def get_key_exists(sc):
1889 r"""get_key_exists(std::string sc) -> bool"""
1890 return _IMP_kernel.FloatKey_get_key_exists(sc)
1892 def get_string(self):
1893 r"""get_string(FloatKey self) -> std::string const"""
1894 return _IMP_kernel.FloatKey_get_string(self)
1896 def __cmp__(self, o):
1897 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
1898 return _IMP_kernel.FloatKey___cmp__(self, o)
1900 def __eq__(self, o):
1901 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
1902 return _IMP_kernel.FloatKey___eq__(self, o)
1904 def __ne__(self, o):
1905 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
1906 return _IMP_kernel.FloatKey___ne__(self, o)
1908 def __lt__(self, o):
1909 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
1910 return _IMP_kernel.FloatKey___lt__(self, o)
1912 def __gt__(self, o):
1913 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
1914 return _IMP_kernel.FloatKey___gt__(self, o)
1916 def __ge__(self, o):
1917 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
1918 return _IMP_kernel.FloatKey___ge__(self, o)
1920 def __le__(self, o):
1921 r"""__le__(FloatKey self, FloatKey o) -> bool"""
1922 return _IMP_kernel.FloatKey___le__(self, o)
1925 r"""__hash__(FloatKey self) -> std::size_t"""
1926 return _IMP_kernel.FloatKey___hash__(self)
1928 def show(self, *args):
1929 r"""show(FloatKey self, _ostream out=std::cout)"""
1930 return _IMP_kernel.FloatKey_show(self, *args)
1933 def add_alias(old_key, new_name):
1934 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
1935 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
1938 def get_number_of_keys():
1939 r"""get_number_of_keys() -> unsigned int"""
1940 return _IMP_kernel.FloatKey_get_number_of_keys()
1943 r"""get_index(FloatKey self) -> unsigned int"""
1944 return _IMP_kernel.FloatKey_get_index(self)
1948 r"""show_all(_ostream out)"""
1949 return _IMP_kernel.FloatKey_show_all(out)
1952 def get_all_strings():
1953 r"""get_all_strings() -> IMP::Vector< std::string >"""
1954 return _IMP_kernel.FloatKey_get_all_strings()
1957 def get_number_unique():
1958 r"""get_number_unique() -> unsigned int"""
1959 return _IMP_kernel.FloatKey_get_number_unique()
1962 r"""__str__(FloatKey self) -> std::string"""
1963 return _IMP_kernel.FloatKey___str__(self)
1966 r"""__repr__(FloatKey self) -> std::string"""
1967 return _IMP_kernel.FloatKey___repr__(self)
1968 __swig_destroy__ = _IMP_kernel.delete_FloatKey
1971 _IMP_kernel.FloatKey_swigregister(FloatKey)
1973 r"""Proxy of C++ IMP::Key< 1 > class."""
1975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1977 def __init__(self, *args):
1979 __init__(IntKey self) -> IntKey
1980 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
1981 __init__(IntKey self, unsigned int i) -> IntKey
1983 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
1987 r"""add_key(std::string sc) -> unsigned int"""
1988 return _IMP_kernel.IntKey_add_key(sc)
1991 def get_key_exists(sc):
1992 r"""get_key_exists(std::string sc) -> bool"""
1993 return _IMP_kernel.IntKey_get_key_exists(sc)
1995 def get_string(self):
1996 r"""get_string(IntKey self) -> std::string const"""
1997 return _IMP_kernel.IntKey_get_string(self)
1999 def __cmp__(self, o):
2000 r"""__cmp__(IntKey self, IntKey o) -> int"""
2001 return _IMP_kernel.IntKey___cmp__(self, o)
2003 def __eq__(self, o):
2004 r"""__eq__(IntKey self, IntKey o) -> bool"""
2005 return _IMP_kernel.IntKey___eq__(self, o)
2007 def __ne__(self, o):
2008 r"""__ne__(IntKey self, IntKey o) -> bool"""
2009 return _IMP_kernel.IntKey___ne__(self, o)
2011 def __lt__(self, o):
2012 r"""__lt__(IntKey self, IntKey o) -> bool"""
2013 return _IMP_kernel.IntKey___lt__(self, o)
2015 def __gt__(self, o):
2016 r"""__gt__(IntKey self, IntKey o) -> bool"""
2017 return _IMP_kernel.IntKey___gt__(self, o)
2019 def __ge__(self, o):
2020 r"""__ge__(IntKey self, IntKey o) -> bool"""
2021 return _IMP_kernel.IntKey___ge__(self, o)
2023 def __le__(self, o):
2024 r"""__le__(IntKey self, IntKey o) -> bool"""
2025 return _IMP_kernel.IntKey___le__(self, o)
2028 r"""__hash__(IntKey self) -> std::size_t"""
2029 return _IMP_kernel.IntKey___hash__(self)
2031 def show(self, *args):
2032 r"""show(IntKey self, _ostream out=std::cout)"""
2033 return _IMP_kernel.IntKey_show(self, *args)
2036 def add_alias(old_key, new_name):
2037 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2038 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2041 def get_number_of_keys():
2042 r"""get_number_of_keys() -> unsigned int"""
2043 return _IMP_kernel.IntKey_get_number_of_keys()
2046 r"""get_index(IntKey self) -> unsigned int"""
2047 return _IMP_kernel.IntKey_get_index(self)
2051 r"""show_all(_ostream out)"""
2052 return _IMP_kernel.IntKey_show_all(out)
2055 def get_all_strings():
2056 r"""get_all_strings() -> IMP::Vector< std::string >"""
2057 return _IMP_kernel.IntKey_get_all_strings()
2060 def get_number_unique():
2061 r"""get_number_unique() -> unsigned int"""
2062 return _IMP_kernel.IntKey_get_number_unique()
2065 r"""__str__(IntKey self) -> std::string"""
2066 return _IMP_kernel.IntKey___str__(self)
2069 r"""__repr__(IntKey self) -> std::string"""
2070 return _IMP_kernel.IntKey___repr__(self)
2071 __swig_destroy__ = _IMP_kernel.delete_IntKey
2074 _IMP_kernel.IntKey_swigregister(IntKey)
2076 r"""Proxy of C++ IMP::Key< 2 > class."""
2078 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2080 def __init__(self, *args):
2082 __init__(StringKey self) -> StringKey
2083 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2084 __init__(StringKey self, unsigned int i) -> StringKey
2086 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2090 r"""add_key(std::string sc) -> unsigned int"""
2091 return _IMP_kernel.StringKey_add_key(sc)
2094 def get_key_exists(sc):
2095 r"""get_key_exists(std::string sc) -> bool"""
2096 return _IMP_kernel.StringKey_get_key_exists(sc)
2098 def get_string(self):
2099 r"""get_string(StringKey self) -> std::string const"""
2100 return _IMP_kernel.StringKey_get_string(self)
2102 def __cmp__(self, o):
2103 r"""__cmp__(StringKey self, StringKey o) -> int"""
2104 return _IMP_kernel.StringKey___cmp__(self, o)
2106 def __eq__(self, o):
2107 r"""__eq__(StringKey self, StringKey o) -> bool"""
2108 return _IMP_kernel.StringKey___eq__(self, o)
2110 def __ne__(self, o):
2111 r"""__ne__(StringKey self, StringKey o) -> bool"""
2112 return _IMP_kernel.StringKey___ne__(self, o)
2114 def __lt__(self, o):
2115 r"""__lt__(StringKey self, StringKey o) -> bool"""
2116 return _IMP_kernel.StringKey___lt__(self, o)
2118 def __gt__(self, o):
2119 r"""__gt__(StringKey self, StringKey o) -> bool"""
2120 return _IMP_kernel.StringKey___gt__(self, o)
2122 def __ge__(self, o):
2123 r"""__ge__(StringKey self, StringKey o) -> bool"""
2124 return _IMP_kernel.StringKey___ge__(self, o)
2126 def __le__(self, o):
2127 r"""__le__(StringKey self, StringKey o) -> bool"""
2128 return _IMP_kernel.StringKey___le__(self, o)
2131 r"""__hash__(StringKey self) -> std::size_t"""
2132 return _IMP_kernel.StringKey___hash__(self)
2134 def show(self, *args):
2135 r"""show(StringKey self, _ostream out=std::cout)"""
2136 return _IMP_kernel.StringKey_show(self, *args)
2139 def add_alias(old_key, new_name):
2140 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2141 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2144 def get_number_of_keys():
2145 r"""get_number_of_keys() -> unsigned int"""
2146 return _IMP_kernel.StringKey_get_number_of_keys()
2149 r"""get_index(StringKey self) -> unsigned int"""
2150 return _IMP_kernel.StringKey_get_index(self)
2154 r"""show_all(_ostream out)"""
2155 return _IMP_kernel.StringKey_show_all(out)
2158 def get_all_strings():
2159 r"""get_all_strings() -> IMP::Vector< std::string >"""
2160 return _IMP_kernel.StringKey_get_all_strings()
2163 def get_number_unique():
2164 r"""get_number_unique() -> unsigned int"""
2165 return _IMP_kernel.StringKey_get_number_unique()
2168 r"""__str__(StringKey self) -> std::string"""
2169 return _IMP_kernel.StringKey___str__(self)
2172 r"""__repr__(StringKey self) -> std::string"""
2173 return _IMP_kernel.StringKey___repr__(self)
2174 __swig_destroy__ = _IMP_kernel.delete_StringKey
2177 _IMP_kernel.StringKey_swigregister(StringKey)
2179 r"""Proxy of C++ IMP::Key< 3 > class."""
2181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2183 def __init__(self, *args):
2185 __init__(ParticleIndexKey self) -> ParticleIndexKey
2186 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2187 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2189 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2193 r"""add_key(std::string sc) -> unsigned int"""
2194 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2197 def get_key_exists(sc):
2198 r"""get_key_exists(std::string sc) -> bool"""
2199 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2201 def get_string(self):
2202 r"""get_string(ParticleIndexKey self) -> std::string const"""
2203 return _IMP_kernel.ParticleIndexKey_get_string(self)
2205 def __cmp__(self, o):
2206 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2207 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2209 def __eq__(self, o):
2210 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2211 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2213 def __ne__(self, o):
2214 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2215 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2217 def __lt__(self, o):
2218 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2219 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2221 def __gt__(self, o):
2222 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2223 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2225 def __ge__(self, o):
2226 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2227 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2229 def __le__(self, o):
2230 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2231 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2234 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2235 return _IMP_kernel.ParticleIndexKey___hash__(self)
2237 def show(self, *args):
2238 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2239 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2242 def add_alias(old_key, new_name):
2243 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2244 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2247 def get_number_of_keys():
2248 r"""get_number_of_keys() -> unsigned int"""
2249 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2252 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2253 return _IMP_kernel.ParticleIndexKey_get_index(self)
2257 r"""show_all(_ostream out)"""
2258 return _IMP_kernel.ParticleIndexKey_show_all(out)
2261 def get_all_strings():
2262 r"""get_all_strings() -> IMP::Vector< std::string >"""
2263 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2266 def get_number_unique():
2267 r"""get_number_unique() -> unsigned int"""
2268 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2271 r"""__str__(ParticleIndexKey self) -> std::string"""
2272 return _IMP_kernel.ParticleIndexKey___str__(self)
2275 r"""__repr__(ParticleIndexKey self) -> std::string"""
2276 return _IMP_kernel.ParticleIndexKey___repr__(self)
2277 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2280 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2282 r"""Proxy of C++ IMP::Key< 4 > class."""
2284 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2286 def __init__(self, *args):
2288 __init__(ObjectKey self) -> ObjectKey
2289 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2290 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2292 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2296 r"""add_key(std::string sc) -> unsigned int"""
2297 return _IMP_kernel.ObjectKey_add_key(sc)
2300 def get_key_exists(sc):
2301 r"""get_key_exists(std::string sc) -> bool"""
2302 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2304 def get_string(self):
2305 r"""get_string(ObjectKey self) -> std::string const"""
2306 return _IMP_kernel.ObjectKey_get_string(self)
2308 def __cmp__(self, o):
2309 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2310 return _IMP_kernel.ObjectKey___cmp__(self, o)
2312 def __eq__(self, o):
2313 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2314 return _IMP_kernel.ObjectKey___eq__(self, o)
2316 def __ne__(self, o):
2317 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2318 return _IMP_kernel.ObjectKey___ne__(self, o)
2320 def __lt__(self, o):
2321 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2322 return _IMP_kernel.ObjectKey___lt__(self, o)
2324 def __gt__(self, o):
2325 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2326 return _IMP_kernel.ObjectKey___gt__(self, o)
2328 def __ge__(self, o):
2329 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2330 return _IMP_kernel.ObjectKey___ge__(self, o)
2332 def __le__(self, o):
2333 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2334 return _IMP_kernel.ObjectKey___le__(self, o)
2337 r"""__hash__(ObjectKey self) -> std::size_t"""
2338 return _IMP_kernel.ObjectKey___hash__(self)
2340 def show(self, *args):
2341 r"""show(ObjectKey self, _ostream out=std::cout)"""
2342 return _IMP_kernel.ObjectKey_show(self, *args)
2345 def add_alias(old_key, new_name):
2346 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2347 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2350 def get_number_of_keys():
2351 r"""get_number_of_keys() -> unsigned int"""
2352 return _IMP_kernel.ObjectKey_get_number_of_keys()
2355 r"""get_index(ObjectKey self) -> unsigned int"""
2356 return _IMP_kernel.ObjectKey_get_index(self)
2360 r"""show_all(_ostream out)"""
2361 return _IMP_kernel.ObjectKey_show_all(out)
2364 def get_all_strings():
2365 r"""get_all_strings() -> IMP::Vector< std::string >"""
2366 return _IMP_kernel.ObjectKey_get_all_strings()
2369 def get_number_unique():
2370 r"""get_number_unique() -> unsigned int"""
2371 return _IMP_kernel.ObjectKey_get_number_unique()
2374 r"""__str__(ObjectKey self) -> std::string"""
2375 return _IMP_kernel.ObjectKey___str__(self)
2378 r"""__repr__(ObjectKey self) -> std::string"""
2379 return _IMP_kernel.ObjectKey___repr__(self)
2380 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2383 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2385 r"""Proxy of C++ IMP::Key< 5 > class."""
2387 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2389 def __init__(self, *args):
2391 __init__(IntsKey self) -> IntsKey
2392 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2393 __init__(IntsKey self, unsigned int i) -> IntsKey
2395 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2399 r"""add_key(std::string sc) -> unsigned int"""
2400 return _IMP_kernel.IntsKey_add_key(sc)
2403 def get_key_exists(sc):
2404 r"""get_key_exists(std::string sc) -> bool"""
2405 return _IMP_kernel.IntsKey_get_key_exists(sc)
2407 def get_string(self):
2408 r"""get_string(IntsKey self) -> std::string const"""
2409 return _IMP_kernel.IntsKey_get_string(self)
2411 def __cmp__(self, o):
2412 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2413 return _IMP_kernel.IntsKey___cmp__(self, o)
2415 def __eq__(self, o):
2416 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2417 return _IMP_kernel.IntsKey___eq__(self, o)
2419 def __ne__(self, o):
2420 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2421 return _IMP_kernel.IntsKey___ne__(self, o)
2423 def __lt__(self, o):
2424 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2425 return _IMP_kernel.IntsKey___lt__(self, o)
2427 def __gt__(self, o):
2428 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2429 return _IMP_kernel.IntsKey___gt__(self, o)
2431 def __ge__(self, o):
2432 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2433 return _IMP_kernel.IntsKey___ge__(self, o)
2435 def __le__(self, o):
2436 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2437 return _IMP_kernel.IntsKey___le__(self, o)
2440 r"""__hash__(IntsKey self) -> std::size_t"""
2441 return _IMP_kernel.IntsKey___hash__(self)
2443 def show(self, *args):
2444 r"""show(IntsKey self, _ostream out=std::cout)"""
2445 return _IMP_kernel.IntsKey_show(self, *args)
2448 def add_alias(old_key, new_name):
2449 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2450 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2453 def get_number_of_keys():
2454 r"""get_number_of_keys() -> unsigned int"""
2455 return _IMP_kernel.IntsKey_get_number_of_keys()
2458 r"""get_index(IntsKey self) -> unsigned int"""
2459 return _IMP_kernel.IntsKey_get_index(self)
2463 r"""show_all(_ostream out)"""
2464 return _IMP_kernel.IntsKey_show_all(out)
2467 def get_all_strings():
2468 r"""get_all_strings() -> IMP::Vector< std::string >"""
2469 return _IMP_kernel.IntsKey_get_all_strings()
2472 def get_number_unique():
2473 r"""get_number_unique() -> unsigned int"""
2474 return _IMP_kernel.IntsKey_get_number_unique()
2477 r"""__str__(IntsKey self) -> std::string"""
2478 return _IMP_kernel.IntsKey___str__(self)
2481 r"""__repr__(IntsKey self) -> std::string"""
2482 return _IMP_kernel.IntsKey___repr__(self)
2483 __swig_destroy__ = _IMP_kernel.delete_IntsKey
2486 _IMP_kernel.IntsKey_swigregister(IntsKey)
2488 r"""Proxy of C++ IMP::Key< 6 > class."""
2490 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2492 def __init__(self, *args):
2494 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
2495 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
2496 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
2498 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
2502 r"""add_key(std::string sc) -> unsigned int"""
2503 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
2506 def get_key_exists(sc):
2507 r"""get_key_exists(std::string sc) -> bool"""
2508 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
2510 def get_string(self):
2511 r"""get_string(ParticleIndexesKey self) -> std::string const"""
2512 return _IMP_kernel.ParticleIndexesKey_get_string(self)
2514 def __cmp__(self, o):
2515 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
2516 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
2518 def __eq__(self, o):
2519 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2520 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
2522 def __ne__(self, o):
2523 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2524 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
2526 def __lt__(self, o):
2527 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2528 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
2530 def __gt__(self, o):
2531 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2532 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
2534 def __ge__(self, o):
2535 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2536 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
2538 def __le__(self, o):
2539 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2540 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
2543 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
2544 return _IMP_kernel.ParticleIndexesKey___hash__(self)
2546 def show(self, *args):
2547 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
2548 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
2551 def add_alias(old_key, new_name):
2552 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
2553 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
2556 def get_number_of_keys():
2557 r"""get_number_of_keys() -> unsigned int"""
2558 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
2561 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
2562 return _IMP_kernel.ParticleIndexesKey_get_index(self)
2566 r"""show_all(_ostream out)"""
2567 return _IMP_kernel.ParticleIndexesKey_show_all(out)
2570 def get_all_strings():
2571 r"""get_all_strings() -> IMP::Vector< std::string >"""
2572 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
2575 def get_number_unique():
2576 r"""get_number_unique() -> unsigned int"""
2577 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
2580 r"""__str__(ParticleIndexesKey self) -> std::string"""
2581 return _IMP_kernel.ParticleIndexesKey___str__(self)
2584 r"""__repr__(ParticleIndexesKey self) -> std::string"""
2585 return _IMP_kernel.ParticleIndexesKey___repr__(self)
2586 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
2589 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
2591 r"""Proxy of C++ IMP::Key< 8 > class."""
2593 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2595 def __init__(self, *args):
2597 __init__(ModelKey self) -> ModelKey
2598 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
2599 __init__(ModelKey self, unsigned int i) -> ModelKey
2601 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
2605 r"""add_key(std::string sc) -> unsigned int"""
2606 return _IMP_kernel.ModelKey_add_key(sc)
2609 def get_key_exists(sc):
2610 r"""get_key_exists(std::string sc) -> bool"""
2611 return _IMP_kernel.ModelKey_get_key_exists(sc)
2613 def get_string(self):
2614 r"""get_string(ModelKey self) -> std::string const"""
2615 return _IMP_kernel.ModelKey_get_string(self)
2617 def __cmp__(self, o):
2618 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
2619 return _IMP_kernel.ModelKey___cmp__(self, o)
2621 def __eq__(self, o):
2622 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
2623 return _IMP_kernel.ModelKey___eq__(self, o)
2625 def __ne__(self, o):
2626 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
2627 return _IMP_kernel.ModelKey___ne__(self, o)
2629 def __lt__(self, o):
2630 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
2631 return _IMP_kernel.ModelKey___lt__(self, o)
2633 def __gt__(self, o):
2634 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
2635 return _IMP_kernel.ModelKey___gt__(self, o)
2637 def __ge__(self, o):
2638 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
2639 return _IMP_kernel.ModelKey___ge__(self, o)
2641 def __le__(self, o):
2642 r"""__le__(ModelKey self, ModelKey o) -> bool"""
2643 return _IMP_kernel.ModelKey___le__(self, o)
2646 r"""__hash__(ModelKey self) -> std::size_t"""
2647 return _IMP_kernel.ModelKey___hash__(self)
2649 def show(self, *args):
2650 r"""show(ModelKey self, _ostream out=std::cout)"""
2651 return _IMP_kernel.ModelKey_show(self, *args)
2654 def add_alias(old_key, new_name):
2655 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
2656 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
2659 def get_number_of_keys():
2660 r"""get_number_of_keys() -> unsigned int"""
2661 return _IMP_kernel.ModelKey_get_number_of_keys()
2664 r"""get_index(ModelKey self) -> unsigned int"""
2665 return _IMP_kernel.ModelKey_get_index(self)
2669 r"""show_all(_ostream out)"""
2670 return _IMP_kernel.ModelKey_show_all(out)
2673 def get_all_strings():
2674 r"""get_all_strings() -> IMP::Vector< std::string >"""
2675 return _IMP_kernel.ModelKey_get_all_strings()
2678 def get_number_unique():
2679 r"""get_number_unique() -> unsigned int"""
2680 return _IMP_kernel.ModelKey_get_number_unique()
2683 r"""__str__(ModelKey self) -> std::string"""
2684 return _IMP_kernel.ModelKey___str__(self)
2687 r"""__repr__(ModelKey self) -> std::string"""
2688 return _IMP_kernel.ModelKey___repr__(self)
2689 __swig_destroy__ = _IMP_kernel.delete_ModelKey
2692 _IMP_kernel.ModelKey_swigregister(ModelKey)
2694 r"""Proxy of C++ IMP::Key< 11 > class."""
2696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2698 def __init__(self, *args):
2700 __init__(TriggerKey self) -> TriggerKey
2701 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
2702 __init__(TriggerKey self, unsigned int i) -> TriggerKey
2704 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
2708 r"""add_key(std::string sc) -> unsigned int"""
2709 return _IMP_kernel.TriggerKey_add_key(sc)
2712 def get_key_exists(sc):
2713 r"""get_key_exists(std::string sc) -> bool"""
2714 return _IMP_kernel.TriggerKey_get_key_exists(sc)
2716 def get_string(self):
2717 r"""get_string(TriggerKey self) -> std::string const"""
2718 return _IMP_kernel.TriggerKey_get_string(self)
2720 def __cmp__(self, o):
2721 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
2722 return _IMP_kernel.TriggerKey___cmp__(self, o)
2724 def __eq__(self, o):
2725 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
2726 return _IMP_kernel.TriggerKey___eq__(self, o)
2728 def __ne__(self, o):
2729 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
2730 return _IMP_kernel.TriggerKey___ne__(self, o)
2732 def __lt__(self, o):
2733 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
2734 return _IMP_kernel.TriggerKey___lt__(self, o)
2736 def __gt__(self, o):
2737 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
2738 return _IMP_kernel.TriggerKey___gt__(self, o)
2740 def __ge__(self, o):
2741 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
2742 return _IMP_kernel.TriggerKey___ge__(self, o)
2744 def __le__(self, o):
2745 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
2746 return _IMP_kernel.TriggerKey___le__(self, o)
2749 r"""__hash__(TriggerKey self) -> std::size_t"""
2750 return _IMP_kernel.TriggerKey___hash__(self)
2752 def show(self, *args):
2753 r"""show(TriggerKey self, _ostream out=std::cout)"""
2754 return _IMP_kernel.TriggerKey_show(self, *args)
2757 def add_alias(old_key, new_name):
2758 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
2759 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
2762 def get_number_of_keys():
2763 r"""get_number_of_keys() -> unsigned int"""
2764 return _IMP_kernel.TriggerKey_get_number_of_keys()
2767 r"""get_index(TriggerKey self) -> unsigned int"""
2768 return _IMP_kernel.TriggerKey_get_index(self)
2772 r"""show_all(_ostream out)"""
2773 return _IMP_kernel.TriggerKey_show_all(out)
2776 def get_all_strings():
2777 r"""get_all_strings() -> IMP::Vector< std::string >"""
2778 return _IMP_kernel.TriggerKey_get_all_strings()
2781 def get_number_unique():
2782 r"""get_number_unique() -> unsigned int"""
2783 return _IMP_kernel.TriggerKey_get_number_unique()
2786 r"""__str__(TriggerKey self) -> std::string"""
2787 return _IMP_kernel.TriggerKey___str__(self)
2790 r"""__repr__(TriggerKey self) -> std::string"""
2791 return _IMP_kernel.TriggerKey___repr__(self)
2792 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
2795 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
2797 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
2799 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2801 def __init__(self, *args):
2803 __init__(ParticleIndex self, int i) -> ParticleIndex
2804 __init__(ParticleIndex self) -> ParticleIndex
2806 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
2809 r"""get_index(ParticleIndex self) -> int"""
2810 return _IMP_kernel.ParticleIndex_get_index(self)
2812 def __cmp__(self, o):
2813 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
2814 return _IMP_kernel.ParticleIndex___cmp__(self, o)
2816 def __eq__(self, o):
2817 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
2818 return _IMP_kernel.ParticleIndex___eq__(self, o)
2820 def __ne__(self, o):
2821 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
2822 return _IMP_kernel.ParticleIndex___ne__(self, o)
2824 def __lt__(self, o):
2825 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
2826 return _IMP_kernel.ParticleIndex___lt__(self, o)
2828 def __gt__(self, o):
2829 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
2830 return _IMP_kernel.ParticleIndex___gt__(self, o)
2832 def __ge__(self, o):
2833 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
2834 return _IMP_kernel.ParticleIndex___ge__(self, o)
2836 def __le__(self, o):
2837 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
2838 return _IMP_kernel.ParticleIndex___le__(self, o)
2840 def show(self, *args):
2841 r"""show(ParticleIndex self, _ostream out=std::cout)"""
2842 return _IMP_kernel.ParticleIndex_show(self, *args)
2845 r"""__hash__(ParticleIndex self) -> std::size_t"""
2846 return _IMP_kernel.ParticleIndex___hash__(self)
2849 r"""__str__(ParticleIndex self) -> std::string"""
2850 return _IMP_kernel.ParticleIndex___str__(self)
2853 r"""__repr__(ParticleIndex self) -> std::string"""
2854 return _IMP_kernel.ParticleIndex___repr__(self)
2855 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
2858 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
2860 r"""Proxy of C++ IMP::Key< 10 > class."""
2862 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2864 def __init__(self, *args):
2866 __init__(FloatsKey self) -> FloatsKey
2867 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
2868 __init__(FloatsKey self, unsigned int i) -> FloatsKey
2870 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
2874 r"""add_key(std::string sc) -> unsigned int"""
2875 return _IMP_kernel.FloatsKey_add_key(sc)
2878 def get_key_exists(sc):
2879 r"""get_key_exists(std::string sc) -> bool"""
2880 return _IMP_kernel.FloatsKey_get_key_exists(sc)
2882 def get_string(self):
2883 r"""get_string(FloatsKey self) -> std::string const"""
2884 return _IMP_kernel.FloatsKey_get_string(self)
2886 def __cmp__(self, o):
2887 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
2888 return _IMP_kernel.FloatsKey___cmp__(self, o)
2890 def __eq__(self, o):
2891 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
2892 return _IMP_kernel.FloatsKey___eq__(self, o)
2894 def __ne__(self, o):
2895 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
2896 return _IMP_kernel.FloatsKey___ne__(self, o)
2898 def __lt__(self, o):
2899 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
2900 return _IMP_kernel.FloatsKey___lt__(self, o)
2902 def __gt__(self, o):
2903 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
2904 return _IMP_kernel.FloatsKey___gt__(self, o)
2906 def __ge__(self, o):
2907 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
2908 return _IMP_kernel.FloatsKey___ge__(self, o)
2910 def __le__(self, o):
2911 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
2912 return _IMP_kernel.FloatsKey___le__(self, o)
2915 r"""__hash__(FloatsKey self) -> std::size_t"""
2916 return _IMP_kernel.FloatsKey___hash__(self)
2918 def show(self, *args):
2919 r"""show(FloatsKey self, _ostream out=std::cout)"""
2920 return _IMP_kernel.FloatsKey_show(self, *args)
2923 def add_alias(old_key, new_name):
2924 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
2925 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
2928 def get_number_of_keys():
2929 r"""get_number_of_keys() -> unsigned int"""
2930 return _IMP_kernel.FloatsKey_get_number_of_keys()
2933 r"""get_index(FloatsKey self) -> unsigned int"""
2934 return _IMP_kernel.FloatsKey_get_index(self)
2938 r"""show_all(_ostream out)"""
2939 return _IMP_kernel.FloatsKey_show_all(out)
2942 def get_all_strings():
2943 r"""get_all_strings() -> IMP::Vector< std::string >"""
2944 return _IMP_kernel.FloatsKey_get_all_strings()
2947 def get_number_unique():
2948 r"""get_number_unique() -> unsigned int"""
2949 return _IMP_kernel.FloatsKey_get_number_unique()
2952 r"""__str__(FloatsKey self) -> std::string"""
2953 return _IMP_kernel.FloatsKey___str__(self)
2956 r"""__repr__(FloatsKey self) -> std::string"""
2957 return _IMP_kernel.FloatsKey___repr__(self)
2958 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
2961 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
2963 r"""Proxy of C++ IMP::Key< 12 > class."""
2965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2967 def __init__(self, *args):
2969 __init__(SparseStringKey self) -> SparseStringKey
2970 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
2971 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
2973 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
2977 r"""add_key(std::string sc) -> unsigned int"""
2978 return _IMP_kernel.SparseStringKey_add_key(sc)
2981 def get_key_exists(sc):
2982 r"""get_key_exists(std::string sc) -> bool"""
2983 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
2985 def get_string(self):
2986 r"""get_string(SparseStringKey self) -> std::string const"""
2987 return _IMP_kernel.SparseStringKey_get_string(self)
2989 def __cmp__(self, o):
2990 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
2991 return _IMP_kernel.SparseStringKey___cmp__(self, o)
2993 def __eq__(self, o):
2994 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
2995 return _IMP_kernel.SparseStringKey___eq__(self, o)
2997 def __ne__(self, o):
2998 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
2999 return _IMP_kernel.SparseStringKey___ne__(self, o)
3001 def __lt__(self, o):
3002 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3003 return _IMP_kernel.SparseStringKey___lt__(self, o)
3005 def __gt__(self, o):
3006 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3007 return _IMP_kernel.SparseStringKey___gt__(self, o)
3009 def __ge__(self, o):
3010 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3011 return _IMP_kernel.SparseStringKey___ge__(self, o)
3013 def __le__(self, o):
3014 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3015 return _IMP_kernel.SparseStringKey___le__(self, o)
3018 r"""__hash__(SparseStringKey self) -> std::size_t"""
3019 return _IMP_kernel.SparseStringKey___hash__(self)
3021 def show(self, *args):
3022 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3023 return _IMP_kernel.SparseStringKey_show(self, *args)
3026 def add_alias(old_key, new_name):
3027 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3028 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3031 def get_number_of_keys():
3032 r"""get_number_of_keys() -> unsigned int"""
3033 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3036 r"""get_index(SparseStringKey self) -> unsigned int"""
3037 return _IMP_kernel.SparseStringKey_get_index(self)
3041 r"""show_all(_ostream out)"""
3042 return _IMP_kernel.SparseStringKey_show_all(out)
3045 def get_all_strings():
3046 r"""get_all_strings() -> IMP::Vector< std::string >"""
3047 return _IMP_kernel.SparseStringKey_get_all_strings()
3050 def get_number_unique():
3051 r"""get_number_unique() -> unsigned int"""
3052 return _IMP_kernel.SparseStringKey_get_number_unique()
3055 r"""__str__(SparseStringKey self) -> std::string"""
3056 return _IMP_kernel.SparseStringKey___str__(self)
3059 r"""__repr__(SparseStringKey self) -> std::string"""
3060 return _IMP_kernel.SparseStringKey___repr__(self)
3061 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3064 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3066 r"""Proxy of C++ IMP::Key< 13 > class."""
3068 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3070 def __init__(self, *args):
3072 __init__(SparseIntKey self) -> SparseIntKey
3073 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3074 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3076 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3080 r"""add_key(std::string sc) -> unsigned int"""
3081 return _IMP_kernel.SparseIntKey_add_key(sc)
3084 def get_key_exists(sc):
3085 r"""get_key_exists(std::string sc) -> bool"""
3086 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3088 def get_string(self):
3089 r"""get_string(SparseIntKey self) -> std::string const"""
3090 return _IMP_kernel.SparseIntKey_get_string(self)
3092 def __cmp__(self, o):
3093 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3094 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3096 def __eq__(self, o):
3097 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3098 return _IMP_kernel.SparseIntKey___eq__(self, o)
3100 def __ne__(self, o):
3101 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3102 return _IMP_kernel.SparseIntKey___ne__(self, o)
3104 def __lt__(self, o):
3105 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3106 return _IMP_kernel.SparseIntKey___lt__(self, o)
3108 def __gt__(self, o):
3109 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3110 return _IMP_kernel.SparseIntKey___gt__(self, o)
3112 def __ge__(self, o):
3113 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3114 return _IMP_kernel.SparseIntKey___ge__(self, o)
3116 def __le__(self, o):
3117 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3118 return _IMP_kernel.SparseIntKey___le__(self, o)
3121 r"""__hash__(SparseIntKey self) -> std::size_t"""
3122 return _IMP_kernel.SparseIntKey___hash__(self)
3124 def show(self, *args):
3125 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3126 return _IMP_kernel.SparseIntKey_show(self, *args)
3129 def add_alias(old_key, new_name):
3130 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3131 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3134 def get_number_of_keys():
3135 r"""get_number_of_keys() -> unsigned int"""
3136 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3139 r"""get_index(SparseIntKey self) -> unsigned int"""
3140 return _IMP_kernel.SparseIntKey_get_index(self)
3144 r"""show_all(_ostream out)"""
3145 return _IMP_kernel.SparseIntKey_show_all(out)
3148 def get_all_strings():
3149 r"""get_all_strings() -> IMP::Vector< std::string >"""
3150 return _IMP_kernel.SparseIntKey_get_all_strings()
3153 def get_number_unique():
3154 r"""get_number_unique() -> unsigned int"""
3155 return _IMP_kernel.SparseIntKey_get_number_unique()
3158 r"""__str__(SparseIntKey self) -> std::string"""
3159 return _IMP_kernel.SparseIntKey___str__(self)
3162 r"""__repr__(SparseIntKey self) -> std::string"""
3163 return _IMP_kernel.SparseIntKey___repr__(self)
3164 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3167 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3169 r"""Proxy of C++ IMP::Key< 14 > class."""
3171 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3173 def __init__(self, *args):
3175 __init__(SparseFloatKey self) -> SparseFloatKey
3176 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3177 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3179 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3183 r"""add_key(std::string sc) -> unsigned int"""
3184 return _IMP_kernel.SparseFloatKey_add_key(sc)
3187 def get_key_exists(sc):
3188 r"""get_key_exists(std::string sc) -> bool"""
3189 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3191 def get_string(self):
3192 r"""get_string(SparseFloatKey self) -> std::string const"""
3193 return _IMP_kernel.SparseFloatKey_get_string(self)
3195 def __cmp__(self, o):
3196 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3197 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3199 def __eq__(self, o):
3200 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3201 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3203 def __ne__(self, o):
3204 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3205 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3207 def __lt__(self, o):
3208 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3209 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3211 def __gt__(self, o):
3212 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3213 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3215 def __ge__(self, o):
3216 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3217 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3219 def __le__(self, o):
3220 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3221 return _IMP_kernel.SparseFloatKey___le__(self, o)
3224 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3225 return _IMP_kernel.SparseFloatKey___hash__(self)
3227 def show(self, *args):
3228 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3229 return _IMP_kernel.SparseFloatKey_show(self, *args)
3232 def add_alias(old_key, new_name):
3233 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3234 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3237 def get_number_of_keys():
3238 r"""get_number_of_keys() -> unsigned int"""
3239 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3242 r"""get_index(SparseFloatKey self) -> unsigned int"""
3243 return _IMP_kernel.SparseFloatKey_get_index(self)
3247 r"""show_all(_ostream out)"""
3248 return _IMP_kernel.SparseFloatKey_show_all(out)
3251 def get_all_strings():
3252 r"""get_all_strings() -> IMP::Vector< std::string >"""
3253 return _IMP_kernel.SparseFloatKey_get_all_strings()
3256 def get_number_unique():
3257 r"""get_number_unique() -> unsigned int"""
3258 return _IMP_kernel.SparseFloatKey_get_number_unique()
3261 r"""__str__(SparseFloatKey self) -> std::string"""
3262 return _IMP_kernel.SparseFloatKey___str__(self)
3265 r"""__repr__(SparseFloatKey self) -> std::string"""
3266 return _IMP_kernel.SparseFloatKey___repr__(self)
3267 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3270 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3272 r"""Proxy of C++ IMP::Key< 15 > class."""
3274 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3276 def __init__(self, *args):
3278 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3279 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3280 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3282 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3286 r"""add_key(std::string sc) -> unsigned int"""
3287 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3290 def get_key_exists(sc):
3291 r"""get_key_exists(std::string sc) -> bool"""
3292 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3294 def get_string(self):
3295 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3296 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3298 def __cmp__(self, o):
3299 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3300 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3302 def __eq__(self, o):
3303 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3304 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3306 def __ne__(self, o):
3307 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3308 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3310 def __lt__(self, o):
3311 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3312 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3314 def __gt__(self, o):
3315 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3316 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3318 def __ge__(self, o):
3319 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3320 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3322 def __le__(self, o):
3323 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3324 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3327 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3328 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3330 def show(self, *args):
3331 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3332 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3335 def add_alias(old_key, new_name):
3336 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3337 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3340 def get_number_of_keys():
3341 r"""get_number_of_keys() -> unsigned int"""
3342 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3345 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3346 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3350 r"""show_all(_ostream out)"""
3351 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3354 def get_all_strings():
3355 r"""get_all_strings() -> IMP::Vector< std::string >"""
3356 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3359 def get_number_unique():
3360 r"""get_number_unique() -> unsigned int"""
3361 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3364 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3365 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3368 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3369 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3370 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3373 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3375 r"""Proxy of C++ IMP::Key< 16 > class."""
3377 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3379 def __init__(self, *args):
3381 __init__(Vector3DKey self) -> Vector3DKey
3382 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3383 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3385 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3389 r"""add_key(std::string sc) -> unsigned int"""
3390 return _IMP_kernel.Vector3DKey_add_key(sc)
3393 def get_key_exists(sc):
3394 r"""get_key_exists(std::string sc) -> bool"""
3395 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3397 def get_string(self):
3398 r"""get_string(Vector3DKey self) -> std::string const"""
3399 return _IMP_kernel.Vector3DKey_get_string(self)
3401 def __cmp__(self, o):
3402 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3403 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3405 def __eq__(self, o):
3406 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3407 return _IMP_kernel.Vector3DKey___eq__(self, o)
3409 def __ne__(self, o):
3410 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3411 return _IMP_kernel.Vector3DKey___ne__(self, o)
3413 def __lt__(self, o):
3414 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3415 return _IMP_kernel.Vector3DKey___lt__(self, o)
3417 def __gt__(self, o):
3418 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3419 return _IMP_kernel.Vector3DKey___gt__(self, o)
3421 def __ge__(self, o):
3422 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3423 return _IMP_kernel.Vector3DKey___ge__(self, o)
3425 def __le__(self, o):
3426 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3427 return _IMP_kernel.Vector3DKey___le__(self, o)
3430 r"""__hash__(Vector3DKey self) -> std::size_t"""
3431 return _IMP_kernel.Vector3DKey___hash__(self)
3433 def show(self, *args):
3434 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3435 return _IMP_kernel.Vector3DKey_show(self, *args)
3438 def add_alias(old_key, new_name):
3439 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3440 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3443 def get_number_of_keys():
3444 r"""get_number_of_keys() -> unsigned int"""
3445 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3448 r"""get_index(Vector3DKey self) -> unsigned int"""
3449 return _IMP_kernel.Vector3DKey_get_index(self)
3453 r"""show_all(_ostream out)"""
3454 return _IMP_kernel.Vector3DKey_show_all(out)
3457 def get_all_strings():
3458 r"""get_all_strings() -> IMP::Vector< std::string >"""
3459 return _IMP_kernel.Vector3DKey_get_all_strings()
3462 def get_number_unique():
3463 r"""get_number_unique() -> unsigned int"""
3464 return _IMP_kernel.Vector3DKey_get_number_unique()
3467 r"""__str__(Vector3DKey self) -> std::string"""
3468 return _IMP_kernel.Vector3DKey___str__(self)
3471 r"""__repr__(Vector3DKey self) -> std::string"""
3472 return _IMP_kernel.Vector3DKey___repr__(self)
3473 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
3476 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
3485 class FloatIndex(_Value):
3486 r"""Proxy of C++ IMP::FloatIndex class."""
3488 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3490 def __init__(self, *args):
3491 r"""__init__(FloatIndex self, ParticleIndex i0=ParticleIndex(), FloatKey i1=FloatKey()) -> FloatIndex"""
3492 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
3495 r"""__hash__(FloatIndex self) -> std::size_t"""
3496 return _IMP_kernel.FloatIndex___hash__(self)
3498 def show(self, *args):
3499 r"""show(FloatIndex self, _ostream out=std::cout)"""
3500 return _IMP_kernel.FloatIndex_show(self, *args)
3502 def __cmp__(self, o):
3503 r"""__cmp__(FloatIndex self, FloatIndex o) -> int"""
3504 return _IMP_kernel.FloatIndex___cmp__(self, o)
3506 def __eq__(self, o):
3507 r"""__eq__(FloatIndex self, FloatIndex o) -> bool"""
3508 return _IMP_kernel.FloatIndex___eq__(self, o)
3510 def __ne__(self, o):
3511 r"""__ne__(FloatIndex self, FloatIndex o) -> bool"""
3512 return _IMP_kernel.FloatIndex___ne__(self, o)
3514 def __lt__(self, o):
3515 r"""__lt__(FloatIndex self, FloatIndex o) -> bool"""
3516 return _IMP_kernel.FloatIndex___lt__(self, o)
3518 def __gt__(self, o):
3519 r"""__gt__(FloatIndex self, FloatIndex o) -> bool"""
3520 return _IMP_kernel.FloatIndex___gt__(self, o)
3522 def __ge__(self, o):
3523 r"""__ge__(FloatIndex self, FloatIndex o) -> bool"""
3524 return _IMP_kernel.FloatIndex___ge__(self, o)
3526 def __le__(self, o):
3527 r"""__le__(FloatIndex self, FloatIndex o) -> bool"""
3528 return _IMP_kernel.FloatIndex___le__(self, o)
3530 def get_particle(self):
3531 r"""get_particle(FloatIndex self) -> ParticleIndex const &"""
3532 return _IMP_kernel.FloatIndex_get_particle(self)
3534 def set_particle(self, v):
3535 r"""set_particle(FloatIndex self, ParticleIndex const & v)"""
3536 return _IMP_kernel.FloatIndex_set_particle(self, v)
3539 r"""get_key(FloatIndex self) -> FloatKey const &"""
3540 return _IMP_kernel.FloatIndex_get_key(self)
3542 def set_key(self, v):
3543 r"""set_key(FloatIndex self, FloatKey const & v)"""
3544 return _IMP_kernel.FloatIndex_set_key(self, v)
3547 r"""__str__(FloatIndex self) -> std::string"""
3548 return _IMP_kernel.FloatIndex___str__(self)
3551 r"""__repr__(FloatIndex self) -> std::string"""
3552 return _IMP_kernel.FloatIndex___repr__(self)
3553 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
3556 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
3557 class _ParticleIndexTag(object):
3558 r"""Proxy of C++ IMP::ParticleIndexTag class."""
3560 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3561 __repr__ = _swig_repr
3564 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
3565 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
3566 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
3569 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
3570 class ModelObject(
Object):
3571 r"""Proxy of C++ IMP::ModelObject class."""
3573 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3575 def __init__(self, *args):
3577 __init__(ModelObject self, Model m, std::string name) -> ModelObject
3578 __init__(ModelObject self) -> ModelObject
3580 if self.__class__ == ModelObject:
3584 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
3586 if self.__class__ != ModelObject:
3587 _director_objects.register(self)
3591 __swig_destroy__ = _IMP_kernel.delete_ModelObject
3593 def get_model(self):
3594 m = _IMP_kernel.ModelObject_get_model(self)
3595 if m
in _models_set:
3596 m = _models_set_get(m)
3601 def get_inputs(self):
3602 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3603 return _IMP_kernel.ModelObject_get_inputs(self)
3605 def get_outputs(self):
3606 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3607 return _IMP_kernel.ModelObject_get_outputs(self)
3609 def get_interactions(self):
3610 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3611 return _IMP_kernel.ModelObject_get_interactions(self)
3613 def get_has_dependencies(self):
3614 r"""get_has_dependencies(ModelObject self) -> bool"""
3615 return _IMP_kernel.ModelObject_get_has_dependencies(self)
3617 def set_has_dependencies(self, tf):
3618 r"""set_has_dependencies(ModelObject self, bool tf)"""
3619 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
3621 def set_has_required_score_states(self, tf):
3622 r"""set_has_required_score_states(ModelObject self, bool tf)"""
3623 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
3625 def get_has_required_score_states(self):
3626 r"""get_has_required_score_states(ModelObject self) -> bool"""
3627 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
3629 def get_required_score_states(self):
3630 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
3631 return _IMP_kernel.ModelObject_get_required_score_states(self)
3633 def handle_set_has_required_score_states(self, arg0):
3634 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
3635 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
3637 def do_get_inputs(self):
3638 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3639 return _IMP_kernel.ModelObject_do_get_inputs(self)
3641 def do_get_outputs(self):
3642 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3643 return _IMP_kernel.ModelObject_do_get_outputs(self)
3645 def do_get_interactions(self):
3646 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3647 return _IMP_kernel.ModelObject_do_get_interactions(self)
3650 r"""__str__(ModelObject self) -> std::string"""
3651 return _IMP_kernel.ModelObject___str__(self)
3654 r"""__repr__(ModelObject self) -> std::string"""
3655 return _IMP_kernel.ModelObject___repr__(self)
3659 return _object_cast_to_ModelObject(o)
3662 def do_show(self, out):
3667 return _object_cast_to_ModelObject(o)
3669 def __disown__(self):
3671 _IMP_kernel.disown_ModelObject(self)
3672 return weakref.proxy(self)
3675 r"""do_destroy(ModelObject self)"""
3676 return _IMP_kernel.ModelObject_do_destroy(self)
3679 _IMP_kernel.ModelObject_swigregister(ModelObject)
3680 cvar = _IMP_kernel.cvar
3681 NO_MAX = cvar.NO_MAX
3682 BAD_SCORE = cvar.BAD_SCORE
3684 class _ParticleInputs(object):
3685 r"""Proxy of C++ IMP::ParticleInputs class."""
3687 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3689 def __init__(self, *args, **kwargs):
3690 raise AttributeError(
"No constructor defined - class is abstract")
3691 __repr__ = _swig_repr
3693 def get_inputs(self, m, pis):
3694 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3695 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
3698 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
3699 class _ParticleOutputs(object):
3700 r"""Proxy of C++ IMP::ParticleOutputs class."""
3702 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3704 def __init__(self, *args, **kwargs):
3705 raise AttributeError(
"No constructor defined - class is abstract")
3706 __repr__ = _swig_repr
3708 def get_outputs(self, m, pis):
3709 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3710 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
3713 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
3716 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3717 return _IMP_kernel.get_input_particles(mos)
3720 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3721 return _IMP_kernel.get_input_containers(mos)
3724 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3725 return _IMP_kernel.get_output_particles(mos)
3728 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3729 return _IMP_kernel.get_output_containers(mos)
3730 class DerivativeAccumulator(object):
3731 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
3733 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3734 __repr__ = _swig_repr
3736 def __init__(self, *args):
3738 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
3739 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
3740 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
3742 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
3744 def __call__(self, value):
3745 r"""__call__(DerivativeAccumulator self, double const value) -> double"""
3746 return _IMP_kernel.DerivativeAccumulator___call__(self, value)
3748 def get_weight(self):
3749 r"""get_weight(DerivativeAccumulator self) -> double"""
3750 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
3752 def show(self, *args):
3753 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
3754 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
3755 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
3758 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
3759 class EvaluationState(object):
3760 r"""Proxy of C++ IMP::EvaluationState class."""
3762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3763 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
3764 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
3766 def __init__(self, *args):
3768 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
3769 __init__(EvaluationState self) -> EvaluationState
3771 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
3773 def show(self, *args):
3774 r"""show(EvaluationState self, _ostream out=std::cout)"""
3775 return _IMP_kernel.EvaluationState_show(self, *args)
3778 r"""__str__(EvaluationState self) -> std::string"""
3779 return _IMP_kernel.EvaluationState___str__(self)
3782 r"""__repr__(EvaluationState self) -> std::string"""
3783 return _IMP_kernel.EvaluationState___repr__(self)
3784 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
3787 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
3788 class ScoreAccumulator(_Value):
3789 r"""Proxy of C++ IMP::ScoreAccumulator class."""
3791 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3793 def __init__(self, *args):
3795 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
3796 __init__(ScoreAccumulator self) -> ScoreAccumulator
3797 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
3798 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
3800 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
3802 def add_score(self, score):
3803 r"""add_score(ScoreAccumulator self, double score)"""
3804 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
3806 def get_abort_evaluation(self):
3807 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
3808 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
3810 def get_is_evaluate_if_below(self):
3811 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
3812 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
3814 def get_is_evaluate_if_good(self):
3815 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
3816 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
3818 def get_maximum(self):
3819 r"""get_maximum(ScoreAccumulator self) -> double"""
3820 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
3822 def get_derivative_accumulator(self):
3823 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
3824 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
3826 def show(self, *args):
3827 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
3828 return _IMP_kernel.ScoreAccumulator_show(self, *args)
3831 r"""__str__(ScoreAccumulator self) -> std::string"""
3832 return _IMP_kernel.ScoreAccumulator___str__(self)
3835 r"""__repr__(ScoreAccumulator self) -> std::string"""
3836 return _IMP_kernel.ScoreAccumulator___repr__(self)
3837 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
3840 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
3841 class ScoreState(ModelObject):
3842 r"""Proxy of C++ IMP::ScoreState class."""
3844 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3846 def set_can_skip(self, can_skip):
3847 r"""set_can_skip(ScoreState self, bool can_skip)"""
3848 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
3850 def __init__(self, *args):
3852 __init__(ScoreState self, Model m, std::string name) -> ScoreState
3853 __init__(ScoreState self) -> ScoreState
3855 if self.__class__ == ScoreState:
3859 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
3861 if self.__class__ != ScoreState:
3862 _director_objects.register(self)
3867 def before_evaluate(self):
3868 r"""before_evaluate(ScoreState self)"""
3869 return _IMP_kernel.ScoreState_before_evaluate(self)
3871 def after_evaluate(self, accpt):
3872 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3873 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
3875 def get_can_skip(self):
3876 r"""get_can_skip(ScoreState self) -> bool"""
3877 return _IMP_kernel.ScoreState_get_can_skip(self)
3879 def get_has_update_order(self):
3880 r"""get_has_update_order(ScoreState self) -> bool"""
3881 return _IMP_kernel.ScoreState_get_has_update_order(self)
3884 r"""get_update_order(ScoreState self) -> unsigned int"""
3885 return _IMP_kernel.ScoreState_get_update_order(self)
3887 def handle_set_has_required_score_states(self, tf):
3888 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
3889 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
3891 def do_before_evaluate(self):
3892 r"""do_before_evaluate(ScoreState self)"""
3893 return _IMP_kernel.ScoreState_do_before_evaluate(self)
3895 def do_after_evaluate(self, accpt):
3896 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3897 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
3898 __swig_destroy__ = _IMP_kernel.delete_ScoreState
3901 r"""__str__(ScoreState self) -> std::string"""
3902 return _IMP_kernel.ScoreState___str__(self)
3905 r"""__repr__(ScoreState self) -> std::string"""
3906 return _IMP_kernel.ScoreState___repr__(self)
3910 return _object_cast_to_ScoreState(o)
3913 def do_show(self, out):
3918 return _object_cast_to_ScoreState(o)
3921 def _wrap_jax(self, apply_func, keys=None):
3922 """Create the return value for _get_jax.
3923 Use this method in _get_jax() to wrap the JAX apply function
3924 with other model- and ScoreState-specific information.
3926 @param apply_func A function implemented using JAX that takes
3927 a single argument (the current JAX Model) and returns
3928 a new JAX Model with the ScoreState's transformation
3930 @param keys If given, a set of IMP::Key objects describing Model
3931 attributes (other than xyz and radius) that the ScoreState
3934 from IMP._jax_util
import JAXScoreStateInfo
3935 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
3939 """Return a JAX implementation of this ScoreState.
3940 Implement this method in a ScoreState subclass to provide
3941 an equivalent function using [JAX](https://docs.jax.dev/)
3942 that modifies the JAX Model. See also _wrap_jax.
3944 raise NotImplementedError(f
"No JAX implementation for {self}")
3946 def __disown__(self):
3948 _IMP_kernel.disown_ScoreState(self)
3949 return weakref.proxy(self)
3952 r"""do_destroy(ScoreState self)"""
3953 return _IMP_kernel.ScoreState_do_destroy(self)
3955 def do_get_inputs(self):
3956 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3957 return _IMP_kernel.ScoreState_do_get_inputs(self)
3959 def do_get_outputs(self):
3960 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3961 return _IMP_kernel.ScoreState_do_get_outputs(self)
3963 def do_get_interactions(self):
3964 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
3965 return _IMP_kernel.ScoreState_do_get_interactions(self)
3968 _IMP_kernel.ScoreState_swigregister(ScoreState)
3971 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
3972 return _IMP_kernel.get_update_order(input)
3973 class Constraint(ScoreState):
3974 r"""Proxy of C++ IMP::Constraint class."""
3976 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3978 def __init__(self, *args):
3980 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
3981 __init__(Constraint self) -> Constraint
3983 if self.__class__ == Constraint:
3987 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
3989 if self.__class__ != Constraint:
3990 _director_objects.register(self)
3995 def do_update_attributes(self):
3996 r"""do_update_attributes(Constraint self)"""
3997 return _IMP_kernel.Constraint_do_update_attributes(self)
3999 def do_update_derivatives(self, da):
4000 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4001 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4003 def do_before_evaluate(self):
4004 r"""do_before_evaluate(Constraint self)"""
4005 return _IMP_kernel.Constraint_do_before_evaluate(self)
4007 def do_after_evaluate(self, da):
4008 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4009 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4010 __swig_destroy__ = _IMP_kernel.delete_Constraint
4013 r"""__str__(Constraint self) -> std::string"""
4014 return _IMP_kernel.Constraint___str__(self)
4017 r"""__repr__(Constraint self) -> std::string"""
4018 return _IMP_kernel.Constraint___repr__(self)
4022 return _object_cast_to_Constraint(o)
4025 def do_show(self, out):
4030 return _object_cast_to_Constraint(o)
4032 def __disown__(self):
4034 _IMP_kernel.disown_Constraint(self)
4035 return weakref.proxy(self)
4038 r"""do_destroy(Constraint self)"""
4039 return _IMP_kernel.Constraint_do_destroy(self)
4041 def do_get_inputs(self):
4042 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4043 return _IMP_kernel.Constraint_do_get_inputs(self)
4045 def do_get_outputs(self):
4046 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4047 return _IMP_kernel.Constraint_do_get_outputs(self)
4049 def do_get_interactions(self):
4050 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4051 return _IMP_kernel.Constraint_do_get_interactions(self)
4054 _IMP_kernel.Constraint_swigregister(Constraint)
4055 class Container(ModelObject):
4056 r"""Proxy of C++ IMP::Container class."""
4058 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4060 def __init__(self, *args):
4062 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4063 __init__(Container self) -> Container
4065 if self.__class__ == Container:
4069 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4071 if self.__class__ != Container:
4072 _director_objects.register(self)
4077 def do_get_contents_hash(self):
4078 r"""do_get_contents_hash(Container self) -> std::size_t"""
4079 return _IMP_kernel.Container_do_get_contents_hash(self)
4081 def get_all_possible_indexes(self):
4082 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
4083 return _IMP_kernel.Container_get_all_possible_indexes(self)
4085 def get_contents_hash(self):
4086 r"""get_contents_hash(Container self) -> std::size_t"""
4087 return _IMP_kernel.Container_get_contents_hash(self)
4089 def do_get_outputs(self):
4090 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
4091 return _IMP_kernel.Container_do_get_outputs(self)
4093 def get_is_decomposable(self):
4094 r"""get_is_decomposable(Container self) -> bool"""
4095 return _IMP_kernel.Container_get_is_decomposable(self)
4097 def validate_readable(self):
4098 r"""validate_readable(Container self)"""
4099 return _IMP_kernel.Container_validate_readable(self)
4101 def validate_writable(self):
4102 r"""validate_writable(Container self)"""
4103 return _IMP_kernel.Container_validate_writable(self)
4105 def set_is_readable(self, tf):
4106 r"""set_is_readable(Container self, bool tf)"""
4107 return _IMP_kernel.Container_set_is_readable(self, tf)
4109 def set_is_writable(self, tf):
4110 r"""set_is_writable(Container self, bool tf)"""
4111 return _IMP_kernel.Container_set_is_writable(self, tf)
4112 __swig_destroy__ = _IMP_kernel.delete_Container
4115 r"""__str__(Container self) -> std::string"""
4116 return _IMP_kernel.Container___str__(self)
4119 r"""__repr__(Container self) -> std::string"""
4120 return _IMP_kernel.Container___repr__(self)
4124 return _object_cast_to_Container(o)
4127 def do_show(self, out):
4132 return _object_cast_to_Container(o)
4134 def __disown__(self):
4136 _IMP_kernel.disown_Container(self)
4137 return weakref.proxy(self)
4140 r"""do_destroy(Container self)"""
4141 return _IMP_kernel.Container_do_destroy(self)
4143 def handle_set_has_required_score_states(self, arg0):
4144 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
4145 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
4147 def do_get_inputs(self):
4148 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
4149 return _IMP_kernel.Container_do_get_inputs(self)
4151 def do_get_interactions(self):
4152 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
4153 return _IMP_kernel.Container_do_get_interactions(self)
4156 _IMP_kernel.Container_swigregister(Container)
4157 class RestraintInfo(
Object):
4158 r"""Proxy of C++ IMP::RestraintInfo class."""
4160 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4162 def __init__(self, *args):
4163 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
4164 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
4167 r"""clear(RestraintInfo self)"""
4168 return _IMP_kernel.RestraintInfo_clear(self)
4170 def add_int(self, key, value):
4171 r"""add_int(RestraintInfo self, std::string key, int value)"""
4172 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
4174 def get_number_of_int(self):
4175 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
4176 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
4178 def get_int_key(self, i):
4179 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
4180 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
4182 def get_int_value(self, i):
4183 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
4184 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
4186 def add_float(self, key, value):
4187 r"""add_float(RestraintInfo self, std::string key, double value)"""
4188 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
4190 def get_number_of_float(self):
4191 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
4192 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
4194 def get_float_key(self, i):
4195 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
4196 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
4198 def get_float_value(self, i):
4199 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
4200 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
4202 def add_string(self, key, value):
4203 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
4204 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
4206 def get_number_of_string(self):
4207 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
4208 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
4210 def get_string_key(self, i):
4211 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
4212 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
4214 def get_string_value(self, i):
4215 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
4216 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
4218 def add_filename(self, key, value):
4219 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
4220 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
4222 def get_number_of_filename(self):
4223 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
4224 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
4226 def get_filename_key(self, i):
4227 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
4228 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
4230 def get_filename_value(self, i):
4231 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
4232 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
4234 def add_floats(self, key, value):
4235 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
4236 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
4238 def get_number_of_floats(self):
4239 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
4240 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
4242 def get_floats_key(self, i):
4243 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
4244 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
4246 def get_floats_value(self, i):
4247 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
4248 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
4250 def add_ints(self, key, value):
4251 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
4252 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
4254 def get_number_of_ints(self):
4255 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
4256 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
4258 def get_ints_key(self, i):
4259 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
4260 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
4262 def get_ints_value(self, i):
4263 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
4264 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
4266 def add_strings(self, key, value):
4267 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
4268 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
4270 def get_number_of_strings(self):
4271 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
4272 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
4274 def get_strings_key(self, i):
4275 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
4276 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
4278 def get_strings_value(self, i):
4279 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4280 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
4282 def add_filenames(self, key, value):
4283 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
4284 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
4286 def get_number_of_filenames(self):
4287 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
4288 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
4290 def get_filenames_key(self, i):
4291 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
4292 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
4294 def get_filenames_value(self, i):
4295 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4296 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
4298 def add_particle_indexes(self, key, value):
4299 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
4300 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
4302 def get_number_of_particle_indexes(self):
4303 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
4304 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
4306 def get_particle_indexes_key(self, i):
4307 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
4308 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
4310 def get_particle_indexes_value(self, i):
4311 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
4312 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
4315 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
4316 return _IMP_kernel.RestraintInfo_get_version_info(self)
4317 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
4320 r"""__str__(RestraintInfo self) -> std::string"""
4321 return _IMP_kernel.RestraintInfo___str__(self)
4324 r"""__repr__(RestraintInfo self) -> std::string"""
4325 return _IMP_kernel.RestraintInfo___repr__(self)
4329 return _object_cast_to_RestraintInfo(o)
4333 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
4334 class Restraint(ModelObject):
4335 r"""Proxy of C++ IMP::Restraint class."""
4337 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4339 def __init__(self, *args):
4341 __init__(Restraint self, Model m, std::string name) -> Restraint
4342 __init__(Restraint self) -> Restraint
4344 if self.__class__ == Restraint:
4348 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
4350 if self.__class__ != Restraint:
4351 _director_objects.register(self)
4356 def get_score(self):
4357 r"""get_score(Restraint self) -> double"""
4358 return _IMP_kernel.Restraint_get_score(self)
4360 def evaluate(self, calc_derivs):
4361 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
4362 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
4364 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
4365 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4366 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
4368 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
4369 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4370 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
4372 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
4373 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4374 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
4376 def evaluate_if_good(self, calc_derivatives):
4377 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
4378 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
4380 def evaluate_if_below(self, calc_derivatives, max):
4381 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
4382 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
4384 def unprotected_evaluate(self, da):
4385 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
4386 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
4388 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
4389 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4390 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
4392 def unprotected_evaluate_if_good(self, da, max):
4393 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
4394 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
4396 def unprotected_evaluate_if_below(self, da, max):
4397 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
4398 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
4400 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
4401 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4402 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
4404 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
4405 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4406 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
4408 def get_static_info(self):
4409 r"""get_static_info(Restraint self) -> RestraintInfo"""
4410 return _IMP_kernel.Restraint_get_static_info(self)
4412 def get_dynamic_info(self):
4413 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
4414 return _IMP_kernel.Restraint_get_dynamic_info(self)
4416 def add_score_and_derivatives(self, sa):
4417 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4418 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
4420 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4421 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4422 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4425 r"""create_decomposition(Restraint self) -> Restraint"""
4426 return _IMP_kernel.Restraint_create_decomposition(self)
4428 def create_current_decomposition(self):
4429 r"""create_current_decomposition(Restraint self) -> Restraint"""
4430 return _IMP_kernel.Restraint_create_current_decomposition(self)
4432 def set_weight(self, weight):
4433 r"""set_weight(Restraint self, IMP::Float weight)"""
4434 return _IMP_kernel.Restraint_set_weight(self, weight)
4436 def get_weight(self):
4437 r"""get_weight(Restraint self) -> IMP::Float"""
4438 return _IMP_kernel.Restraint_get_weight(self)
4440 def get_maximum_score(self):
4441 r"""get_maximum_score(Restraint self) -> double"""
4442 return _IMP_kernel.Restraint_get_maximum_score(self)
4444 def set_maximum_score(self, s):
4445 r"""set_maximum_score(Restraint self, double s)"""
4446 return _IMP_kernel.Restraint_set_maximum_score(self, s)
4449 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
4450 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
4452 def set_last_score(self, s):
4453 r"""set_last_score(Restraint self, double s)"""
4454 return _IMP_kernel.Restraint_set_last_score(self, s)
4456 def set_last_last_score(self, s):
4457 r"""set_last_last_score(Restraint self, double s)"""
4458 return _IMP_kernel.Restraint_set_last_last_score(self, s)
4460 def get_last_score(self):
4461 r"""get_last_score(Restraint self) -> double"""
4462 return _IMP_kernel.Restraint_get_last_score(self)
4464 def get_last_last_score(self):
4465 r"""get_last_last_score(Restraint self) -> double"""
4466 return _IMP_kernel.Restraint_get_last_last_score(self)
4468 def get_is_aggregate(self):
4469 r"""get_is_aggregate(Restraint self) -> bool"""
4470 return _IMP_kernel.Restraint_get_is_aggregate(self)
4472 def get_was_good(self):
4473 r"""get_was_good(Restraint self) -> bool"""
4474 return _IMP_kernel.Restraint_get_was_good(self)
4475 __swig_destroy__ = _IMP_kernel.delete_Restraint
4477 def do_create_decomposition(self):
4478 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
4479 return _IMP_kernel.Restraint_do_create_decomposition(self)
4481 def do_create_current_decomposition(self):
4482 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
4483 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
4485 def do_add_score_and_derivatives(self, sa):
4486 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4487 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
4489 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4490 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4491 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4493 def do_get_outputs(self):
4494 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
4495 return _IMP_kernel.Restraint_do_get_outputs(self)
4496 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
4499 r"""__str__(Restraint self) -> std::string"""
4500 return _IMP_kernel.Restraint___str__(self)
4503 r"""__repr__(Restraint self) -> std::string"""
4504 return _IMP_kernel.Restraint___repr__(self)
4508 return _object_cast_to_Restraint(o)
4511 def do_show(self, out):
4516 return _object_cast_to_Restraint(o)
4519 def _wrap_jax(self, score_func, keys=None):
4520 """Create the return value for _get_jax.
4521 Use this method in _get_jax() to wrap the JAX scoring function
4522 with other model- and restraint-specific information.
4524 @param score_func A function implemented using JAX that takes
4525 a single argument (the current JAX Model) and returns
4526 the score of the restraint.
4527 @param keys If given, a set of IMP::Key objects describing Model
4528 attributes (other than xyz and radius) that the restraint
4529 uses. For example, a restraint that uses electrostatic charge
4530 would pass IMP::atom::Charged::get_charge_key() here.
4532 from IMP._jax_util
import JAXRestraintInfo
4533 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
4534 weight=self.get_weight(), keys=keys)
4537 """Return a JAX implementation of this Restraint.
4538 Implement this method in a Restraint subclass to provide
4539 an equivalent function using [JAX](https://docs.jax.dev/)
4540 that scores the current JAX Model. See also _wrap_jax.
4542 raise NotImplementedError(f
"No JAX implementation for {self}")
4544 def __disown__(self):
4546 _IMP_kernel.disown_Restraint(self)
4547 return weakref.proxy(self)
4550 r"""do_destroy(Restraint self)"""
4551 return _IMP_kernel.Restraint_do_destroy(self)
4553 def handle_set_has_required_score_states(self, arg0):
4554 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
4555 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
4557 def do_get_inputs(self):
4558 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
4559 return _IMP_kernel.Restraint_do_get_inputs(self)
4561 def do_get_interactions(self):
4562 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
4563 return _IMP_kernel.Restraint_do_get_interactions(self)
4566 _IMP_kernel.Restraint_swigregister(Restraint)
4567 class _RestraintsAdaptor(_InputAdaptor):
4568 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
4570 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4571 __repr__ = _swig_repr
4573 def __init__(self, *args):
4575 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
4576 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
4577 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
4578 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
4580 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
4581 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
4584 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
4585 class RestraintSet(Restraint):
4586 r"""Proxy of C++ IMP::RestraintSet class."""
4588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4590 def __init__(self, *args):
4592 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4593 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
4594 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4595 __init__(RestraintSet self) -> RestraintSet
4597 if self.__class__ == RestraintSet:
4601 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
4603 if self.__class__ != RestraintSet:
4604 _director_objects.register(self)
4609 def unprotected_evaluate(self, da):
4610 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
4611 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
4613 def get_type_name(self):
4614 r"""get_type_name(RestraintSet self) -> std::string"""
4615 return _IMP_kernel.RestraintSet_get_type_name(self)
4618 r"""get_version_info(RestraintSet self) -> VersionInfo"""
4619 return _IMP_kernel.RestraintSet_get_version_info(self)
4620 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
4621 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)
4622 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
4623 def __del_restraints(self): _list_util.del_varlist(self.restraints)
4624 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
4626 def remove_restraint(self, d):
4627 r"""remove_restraint(RestraintSet self, Restraint d)"""
4628 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
4630 def _python_index_restraint(self, d, start, stop):
4631 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
4632 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
4634 def remove_restraints(self, d):
4635 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
4636 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
4638 def set_restraints(self, ps):
4639 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
4640 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
4642 def set_restraints_order(self, objs):
4643 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
4644 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
4647 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
4648 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
4651 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
4652 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
4654 def clear_restraints(self):
4655 r"""clear_restraints(RestraintSet self)"""
4656 return _IMP_kernel.RestraintSet_clear_restraints(self)
4658 def get_number_of_restraints(self):
4659 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
4660 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
4662 def get_has_restraints(self):
4663 r"""get_has_restraints(RestraintSet self) -> bool"""
4664 return _IMP_kernel.RestraintSet_get_has_restraints(self)
4666 def get_restraint(self, i):
4667 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
4668 return _IMP_kernel.RestraintSet_get_restraint(self, i)
4670 def get_restraints(self):
4671 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
4672 return _IMP_kernel.RestraintSet_get_restraints(self)
4674 def erase_restraint(self, i):
4675 r"""erase_restraint(RestraintSet self, unsigned int i)"""
4676 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
4678 def reserve_restraints(self, sz):
4679 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
4680 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
4682 def get_non_sets_and_sets(self):
4683 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
4684 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
4686 def do_get_inputs(self):
4687 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4688 return _IMP_kernel.RestraintSet_do_get_inputs(self)
4691 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
4692 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
4694 def get_last_score(self):
4695 r"""get_last_score(RestraintSet self) -> double"""
4696 return _IMP_kernel.RestraintSet_get_last_score(self)
4699 r"""__str__(RestraintSet self) -> std::string"""
4700 return _IMP_kernel.RestraintSet___str__(self)
4703 r"""__repr__(RestraintSet self) -> std::string"""
4704 return _IMP_kernel.RestraintSet___repr__(self)
4708 return _object_cast_to_RestraintSet(o)
4711 def do_show(self, out):
4716 return _object_cast_to_RestraintSet(o)
4719 def _get_as_binary(self):
4720 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
4721 return _IMP_kernel.RestraintSet__get_as_binary(self)
4723 def _set_from_binary(self, p):
4724 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
4725 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
4727 def __getstate__(self):
4728 p = self._get_as_binary()
4729 if len(self.__dict__) > 1:
4730 d = self.__dict__.copy()
4735 def __setstate__(self, p):
4736 if not hasattr(self,
'this'):
4738 if isinstance(p, tuple):
4740 self.__dict__.update(d)
4741 return self._set_from_binary(p)
4745 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
4746 funcs = [j.score_func
for j
in jis]
4747 keys = frozenset(x
for j
in jis
for x
in j._keys)
4750 return sum(f(jm)
for f
in funcs)
4754 return self._wrap_jax(jax_sf, keys=keys)
4756 def __disown__(self):
4758 _IMP_kernel.disown_RestraintSet(self)
4759 return weakref.proxy(self)
4762 r"""do_destroy(RestraintSet self)"""
4763 return _IMP_kernel.RestraintSet_do_destroy(self)
4765 def handle_set_has_required_score_states(self, arg0):
4766 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
4767 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
4769 def do_get_outputs(self):
4770 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4771 return _IMP_kernel.RestraintSet_do_get_outputs(self)
4773 def do_get_interactions(self):
4774 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
4775 return _IMP_kernel.RestraintSet_do_get_interactions(self)
4777 def do_create_decomposition(self):
4778 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
4779 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
4781 def do_create_current_decomposition(self):
4782 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
4783 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
4785 def do_add_score_and_derivatives(self, sa):
4786 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
4787 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
4789 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4790 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4791 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4794 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
4796 def get_restraints(rs):
4797 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
4798 return _IMP_kernel.get_restraints(rs)
4800 def _check_particle(p, a):
4801 if (
not p.get_is_active()):
4802 raise ValueError(
"Inactive Particle")
4803 if (type(a)() == a):
4804 raise IndexError(
"Cannot use default Index")
4805 if (
not p.has_attribute(a)):
4806 raise IndexError(
"Particle does not have attribute")
4808 class Particle(ModelObject):
4809 r"""Proxy of C++ IMP::Particle class."""
4811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4814 r"""get_version_info(Particle self) -> VersionInfo"""
4815 return _IMP_kernel.Particle_get_version_info(self)
4816 __swig_destroy__ = _IMP_kernel.delete_Particle
4818 def __init__(self, *args):
4820 __init__(Particle self, Model m, std::string name) -> Particle
4821 __init__(Particle self, Model m) -> Particle
4822 __init__(Particle self) -> Particle
4824 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
4826 def get_float_keys(self):
4827 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
4828 return _IMP_kernel.Particle_get_float_keys(self)
4830 def get_floats_keys(self):
4831 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
4832 return _IMP_kernel.Particle_get_floats_keys(self)
4834 def get_int_keys(self):
4835 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
4836 return _IMP_kernel.Particle_get_int_keys(self)
4838 def get_ints_keys(self):
4839 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
4840 return _IMP_kernel.Particle_get_ints_keys(self)
4842 def get_string_keys(self):
4843 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
4844 return _IMP_kernel.Particle_get_string_keys(self)
4846 def get_object_keys(self):
4847 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
4848 return _IMP_kernel.Particle_get_object_keys(self)
4850 def add_cache_attribute(self, *args):
4852 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
4853 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
4854 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
4855 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
4856 add_cache_attribute(Particle self, StringKey name, IMP::String value)
4857 add_cache_attribute(Particle self, ObjectKey name, Object value)
4858 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
4860 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
4862 def get_weak_object_keys(self):
4863 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
4864 return _IMP_kernel.Particle_get_weak_object_keys(self)
4866 def add_to_derivative(self, key, value, da):
4867 r"""add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)"""
4868 return _IMP_kernel.Particle_add_to_derivative(self, key, value, da)
4870 def set_is_optimized(self, k, tf):
4871 r"""set_is_optimized(Particle self, FloatKey k, bool tf)"""
4872 return _IMP_kernel.Particle_set_is_optimized(self, k, tf)
4874 def get_is_optimized(self, k):
4875 r"""get_is_optimized(Particle self, FloatKey k) -> bool"""
4876 return _IMP_kernel.Particle_get_is_optimized(self, k)
4878 def get_derivative(self, k):
4879 r"""get_derivative(Particle self, FloatKey k) -> IMP::Float"""
4880 return _IMP_kernel.Particle_get_derivative(self, k)
4882 def add_attribute(self, *args):
4884 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
4885 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
4886 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
4887 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
4888 add_attribute(Particle self, StringKey name, IMP::String initial_value)
4889 add_attribute(Particle self, ObjectKey name, Object initial_value)
4890 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
4891 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
4892 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
4893 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
4894 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
4895 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
4896 add_attribute(Particle self, ParticleIndexKey k, Particle v)
4898 return _IMP_kernel.Particle_add_attribute(self, *args)
4900 def has_attribute(self, *args):
4902 has_attribute(Particle self, FloatKey name) -> bool
4903 has_attribute(Particle self, FloatsKey name) -> bool
4904 has_attribute(Particle self, IntKey name) -> bool
4905 has_attribute(Particle self, IntsKey name) -> bool
4906 has_attribute(Particle self, StringKey name) -> bool
4907 has_attribute(Particle self, ObjectKey name) -> bool
4908 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
4909 has_attribute(Particle self, SparseStringKey name) -> bool
4910 has_attribute(Particle self, SparseIntKey name) -> bool
4911 has_attribute(Particle self, SparseFloatKey name) -> bool
4912 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
4913 has_attribute(Particle self, ParticleIndexKey k) -> bool
4915 return _IMP_kernel.Particle_has_attribute(self, *args)
4917 def set_value(self, *args):
4919 set_value(Particle self, FloatKey name, IMP::Float value)
4920 set_value(Particle self, FloatsKey name, IMP::Floats value)
4921 set_value(Particle self, IntKey name, IMP::Int value)
4922 set_value(Particle self, IntsKey name, IMP::Ints value)
4923 set_value(Particle self, StringKey name, IMP::String value)
4924 set_value(Particle self, ObjectKey name, Object value)
4925 set_value(Particle self, IMP::WeakObjectKey name, Object value)
4926 set_value(Particle self, SparseStringKey name, IMP::String value)
4927 set_value(Particle self, SparseIntKey name, IMP::Int value)
4928 set_value(Particle self, SparseFloatKey name, IMP::Float value)
4929 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
4930 set_value(Particle self, ParticleIndexKey k, Particle v)
4932 return _IMP_kernel.Particle_set_value(self, *args)
4934 def get_value(self, *args):
4936 get_value(Particle self, FloatKey name) -> IMP::Float
4937 get_value(Particle self, FloatsKey name) -> IMP::Floats
4938 get_value(Particle self, IntKey name) -> IMP::Int
4939 get_value(Particle self, IntsKey name) -> IMP::Ints
4940 get_value(Particle self, StringKey name) -> IMP::String
4941 get_value(Particle self, ObjectKey name) -> Object
4942 get_value(Particle self, IMP::WeakObjectKey name) -> Object
4943 get_value(Particle self, SparseStringKey name) -> IMP::String
4944 get_value(Particle self, SparseIntKey name) -> IMP::Int
4945 get_value(Particle self, SparseFloatKey name) -> IMP::Float
4946 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
4947 get_value(Particle self, ParticleIndexKey k) -> Particle
4949 return _IMP_kernel.Particle_get_value(self, *args)
4951 def remove_attribute(self, *args):
4953 remove_attribute(Particle self, FloatKey name)
4954 remove_attribute(Particle self, FloatsKey name)
4955 remove_attribute(Particle self, IntKey name)
4956 remove_attribute(Particle self, IntsKey name)
4957 remove_attribute(Particle self, StringKey name)
4958 remove_attribute(Particle self, ObjectKey name)
4959 remove_attribute(Particle self, IMP::WeakObjectKey name)
4960 remove_attribute(Particle self, SparseStringKey name)
4961 remove_attribute(Particle self, SparseIntKey name)
4962 remove_attribute(Particle self, SparseFloatKey name)
4963 remove_attribute(Particle self, SparseParticleIndexKey name)
4964 remove_attribute(Particle self, ParticleIndexKey k)
4966 return _IMP_kernel.Particle_remove_attribute(self, *args)
4968 def get_particle_keys(self):
4969 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
4970 return _IMP_kernel.Particle_get_particle_keys(self)
4972 def show(self, *args):
4973 r"""show(Particle self, _ostream out=std::cout)"""
4974 return _IMP_kernel.Particle_show(self, *args)
4976 def get_is_active(self):
4977 r"""get_is_active(Particle self) -> bool"""
4978 return _IMP_kernel.Particle_get_is_active(self)
4981 r"""get_index(Particle self) -> ParticleIndex"""
4982 return _IMP_kernel.Particle_get_index(self)
4984 def __eq__(self, *args):
4986 __eq__(Particle self, Particle o) -> bool
4987 __eq__(Particle self, Decorator d) -> bool
4989 return _IMP_kernel.Particle___eq__(self, *args)
4991 def __ne__(self, *args):
4993 __ne__(Particle self, Particle o) -> bool
4994 __ne__(Particle self, Decorator d) -> bool
4996 return _IMP_kernel.Particle___ne__(self, *args)
4998 def __le__(self, *args):
5000 __le__(Particle self, Particle o) -> bool
5001 __le__(Particle self, Decorator d) -> bool
5003 return _IMP_kernel.Particle___le__(self, *args)
5005 def __lt__(self, *args):
5007 __lt__(Particle self, Particle o) -> bool
5008 __lt__(Particle self, Decorator d) -> bool
5010 return _IMP_kernel.Particle___lt__(self, *args)
5012 def __ge__(self, *args):
5014 __ge__(Particle self, Particle o) -> bool
5015 __ge__(Particle self, Decorator d) -> bool
5017 return _IMP_kernel.Particle___ge__(self, *args)
5019 def __gt__(self, *args):
5021 __gt__(Particle self, Particle o) -> bool
5022 __gt__(Particle self, Decorator d) -> bool
5024 return _IMP_kernel.Particle___gt__(self, *args)
5026 __hash__ = ModelObject.__hash__
5030 r"""__str__(Particle self) -> std::string"""
5031 return _IMP_kernel.Particle___str__(self)
5034 r"""__repr__(Particle self) -> std::string"""
5035 return _IMP_kernel.Particle___repr__(self)
5039 return _object_cast_to_Particle(o)
5042 def _get_as_binary(self):
5043 r"""_get_as_binary(Particle self) -> PyObject *"""
5044 return _IMP_kernel.Particle__get_as_binary(self)
5046 def _set_from_binary(self, p):
5047 r"""_set_from_binary(Particle self, PyObject * p)"""
5048 return _IMP_kernel.Particle__set_from_binary(self, p)
5050 def __getstate__(self):
5051 p = self._get_as_binary()
5052 if len(self.__dict__) > 1:
5053 d = self.__dict__.copy()
5058 def __setstate__(self, p):
5059 if not hasattr(self,
'this'):
5061 if isinstance(p, tuple):
5063 self.__dict__.update(d)
5064 return self._set_from_binary(p)
5068 _IMP_kernel.Particle_swigregister(Particle)
5069 class _ParticleAdaptor(_InputAdaptor):
5070 r"""Proxy of C++ IMP::ParticleAdaptor class."""
5072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5073 __repr__ = _swig_repr
5075 def __init__(self, *args):
5077 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
5078 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
5079 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
5081 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
5083 def get_model(self):
5084 r"""get_model(_ParticleAdaptor self) -> Model"""
5085 return _IMP_kernel._ParticleAdaptor_get_model(self)
5087 def get_particle_index(self):
5088 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
5089 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
5090 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
5093 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
5094 class _DependencyGraphVertexIndex(object):
5095 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
5097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5098 __repr__ = _swig_repr
5101 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
5102 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
5103 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
5106 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
5108 def show_as_graphviz(name, out):
5109 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
5110 return _IMP_kernel.show_as_graphviz(name, out)
5112 def get_vertex_index(g):
5113 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
5114 return _IMP_kernel.get_vertex_index(g)
5117 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
5118 return _IMP_kernel.get_dependency_graph(m)
5121 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
5122 return _IMP_kernel.get_pruned_dependency_graph(m)
5124 def get_dependent_particles(p, all, dg, index):
5125 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
5126 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
5128 def get_required_score_states(*args):
5130 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
5131 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
5132 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
5134 return _IMP_kernel.get_required_score_states(*args)
5135 class ScoringFunction(ModelObject):
5136 r"""Proxy of C++ IMP::ScoringFunction class."""
5138 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5140 def do_add_score_and_derivatives(self, sa, ss):
5141 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
5142 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
5144 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
5145 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)"""
5146 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
5148 def get_score_accumulator_if_below(self, deriv, max):
5149 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
5150 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
5152 def get_score_accumulator_if_good(self, deriv):
5153 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5154 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
5156 def get_score_accumulator(self, deriv):
5157 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5158 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
5160 def __init__(self, *args):
5162 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
5163 __init__(ScoringFunction self) -> ScoringFunction
5165 if self.__class__ == ScoringFunction:
5169 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
5171 if self.__class__ != ScoringFunction:
5172 _director_objects.register(self)
5177 def do_get_outputs(self):
5178 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5179 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
5181 def evaluate(self, derivatives):
5182 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
5183 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
5185 def evaluate_if_good(self, derivatives):
5186 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
5187 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
5189 def evaluate_if_below(self, derivatives, max):
5190 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
5191 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
5193 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
5194 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5195 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
5197 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
5198 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5199 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
5201 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
5202 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5203 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
5205 def get_had_good_score(self):
5206 r"""get_had_good_score(ScoringFunction self) -> bool"""
5207 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
5209 def get_last_score(self):
5210 r"""get_last_score(ScoringFunction self) -> double"""
5211 return _IMP_kernel.ScoringFunction_get_last_score(self)
5214 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
5215 return _IMP_kernel.ScoringFunction_create_restraints(self)
5217 def get_single_restraint(self):
5218 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
5219 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
5222 r"""__str__(ScoringFunction self) -> std::string"""
5223 return _IMP_kernel.ScoringFunction___str__(self)
5226 r"""__repr__(ScoringFunction self) -> std::string"""
5227 return _IMP_kernel.ScoringFunction___repr__(self)
5231 return _object_cast_to_ScoringFunction(o)
5234 def do_show(self, out):
5239 return _object_cast_to_ScoringFunction(o)
5243 r = self.get_single_restraint()
5245 raise NotImplementedError(f
"No JAX implementation for {self}")
5247 return r.get_derived_object()._get_jax()
5249 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
5250 def __disown__(self):
5252 _IMP_kernel.disown_ScoringFunction(self)
5253 return weakref.proxy(self)
5256 r"""do_destroy(ScoringFunction self)"""
5257 return _IMP_kernel.ScoringFunction_do_destroy(self)
5259 def handle_set_has_required_score_states(self, arg0):
5260 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
5261 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
5263 def do_get_inputs(self):
5264 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5265 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
5267 def do_get_interactions(self):
5268 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
5269 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
5272 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
5276 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
5277 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
5279 return _IMP_kernel.create_decomposition(*args)
5280 class _ScoringFunctionAdaptor(_InputAdaptor):
5281 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
5283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5284 __repr__ = _swig_repr
5286 def __init__(self, *args):
5288 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
5289 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
5290 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
5291 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
5292 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
5294 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
5295 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
5298 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
5301 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
5302 return _IMP_kernel.show_restraint_hierarchy(*args)
5303 class Undecorator(
Object):
5304 r"""Proxy of C++ IMP::Undecorator class."""
5306 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5308 def __init__(self, m, name):
5309 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
5310 if self.__class__ == Undecorator:
5314 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
5316 if self.__class__ != Undecorator:
5317 _director_objects.register(self)
5322 def teardown(self, pi):
5323 r"""teardown(Undecorator self, ParticleIndex pi)"""
5324 return _IMP_kernel.Undecorator_teardown(self, pi)
5327 r"""__str__(Undecorator self) -> std::string"""
5328 return _IMP_kernel.Undecorator___str__(self)
5331 r"""__repr__(Undecorator self) -> std::string"""
5332 return _IMP_kernel.Undecorator___repr__(self)
5336 return _object_cast_to_Undecorator(o)
5339 def do_show(self, out):
5344 return _object_cast_to_Undecorator(o)
5346 __swig_destroy__ = _IMP_kernel.delete_Undecorator
5347 def __disown__(self):
5349 _IMP_kernel.disown_Undecorator(self)
5350 return weakref.proxy(self)
5353 r"""do_destroy(Undecorator self)"""
5354 return _IMP_kernel.Undecorator_do_destroy(self)
5357 _IMP_kernel.Undecorator_swigregister(Undecorator)
5359 r"""Proxy of C++ IMP::Model class."""
5361 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5363 def __init__(self, *args):
5364 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
5365 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
5367 if self
not in _models_set:
5368 _models_set.add(self)
5373 def clear_particle_caches(self, pi):
5374 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
5375 return _IMP_kernel.Model_clear_particle_caches(self, pi)
5378 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
5379 return _IMP_kernel.Model_add_particle(self, name)
5381 def get_particle_name(self, pi):
5382 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
5383 return _IMP_kernel.Model_get_particle_name(self, pi)
5385 def add_undecorator(self, pi, d):
5386 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
5387 return _IMP_kernel.Model_add_undecorator(self, pi, d)
5389 def get_dependent_restraints_uncached(self, pi):
5390 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
5391 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
5393 def get_dependent_particles_uncached(self, pi):
5394 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
5395 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
5397 def get_dependent_score_states_uncached(self, pi):
5398 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
5399 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
5400 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)
5401 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
5402 def __del_score_states(self): _list_util.del_varlist(self.score_states)
5403 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
5405 def remove_score_state(self, d):
5406 r"""remove_score_state(Model self, ScoreState d)"""
5407 return _IMP_kernel.Model_remove_score_state(self, d)
5409 def _python_index_score_state(self, d, start, stop):
5410 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
5411 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
5413 def remove_score_states(self, d):
5414 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
5415 return _IMP_kernel.Model_remove_score_states(self, d)
5417 def set_score_states(self, ps):
5418 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
5419 return _IMP_kernel.Model_set_score_states(self, ps)
5421 def set_score_states_order(self, objs):
5422 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
5423 return _IMP_kernel.Model_set_score_states_order(self, objs)
5425 def add_score_state(self, obj):
5426 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
5427 return _IMP_kernel.Model_add_score_state(self, obj)
5429 def add_score_states(self, objs):
5430 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
5431 return _IMP_kernel.Model_add_score_states(self, objs)
5433 def clear_score_states(self):
5434 r"""clear_score_states(Model self)"""
5435 return _IMP_kernel.Model_clear_score_states(self)
5437 def get_number_of_score_states(self):
5438 r"""get_number_of_score_states(Model self) -> unsigned int"""
5439 return _IMP_kernel.Model_get_number_of_score_states(self)
5441 def get_has_score_states(self):
5442 r"""get_has_score_states(Model self) -> bool"""
5443 return _IMP_kernel.Model_get_has_score_states(self)
5445 def get_score_state(self, i):
5446 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
5447 return _IMP_kernel.Model_get_score_state(self, i)
5449 def get_score_states(self):
5450 r"""get_score_states(Model self) -> IMP::ScoreStates"""
5451 return _IMP_kernel.Model_get_score_states(self)
5453 def erase_score_state(self, i):
5454 r"""erase_score_state(Model self, unsigned int i)"""
5455 return _IMP_kernel.Model_erase_score_state(self, i)
5457 def reserve_score_states(self, sz):
5458 r"""reserve_score_states(Model self, unsigned int sz)"""
5459 return _IMP_kernel.Model_reserve_score_states(self, sz)
5462 r"""update(Model self)"""
5463 return _IMP_kernel.Model_update(self)
5465 def get_ordered_score_states(self):
5466 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
5467 return _IMP_kernel.Model_get_ordered_score_states(self)
5469 def add_cache_attribute(self, *args):
5471 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5472 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5473 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5474 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5475 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5476 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5477 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5478 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5479 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5480 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5482 return _IMP_kernel.Model_add_cache_attribute(self, *args)
5484 def add_attribute(self, *args):
5486 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5487 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5488 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5489 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5490 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5491 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5492 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5493 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5494 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5495 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5496 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5497 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5498 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5499 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5501 return _IMP_kernel.Model_add_attribute(self, *args)
5503 def remove_attribute(self, *args):
5505 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
5506 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
5507 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
5508 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
5509 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
5510 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
5511 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
5512 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
5513 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
5514 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
5515 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
5516 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
5517 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
5518 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
5520 return _IMP_kernel.Model_remove_attribute(self, *args)
5522 def get_has_attribute(self, *args):
5524 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
5525 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
5526 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
5527 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
5528 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
5529 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
5530 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
5531 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5532 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
5533 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
5534 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
5535 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
5536 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
5537 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5539 return _IMP_kernel.Model_get_has_attribute(self, *args)
5541 def set_attribute(self, *args):
5543 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5544 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5545 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5546 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5547 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5548 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5549 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5550 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5551 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5552 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5553 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5554 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5555 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5556 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5558 return _IMP_kernel.Model_set_attribute(self, *args)
5560 def get_attribute(self, *args):
5562 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5563 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
5564 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
5565 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> IMP::algebra::Vector3D
5566 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
5567 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
5568 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
5569 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5570 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
5571 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
5572 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
5573 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
5574 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5575 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5577 return _IMP_kernel.Model_get_attribute(self, *args)
5579 def set_is_optimized(self, arg2, arg3, arg4):
5580 r"""set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)"""
5581 return _IMP_kernel.Model_set_is_optimized(self, arg2, arg3, arg4)
5583 def add_to_derivative(self, k, particle, v, da):
5584 r"""add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)"""
5585 return _IMP_kernel.Model_add_to_derivative(self, k, particle, v, da)
5587 def get_particle(self, p):
5588 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
5589 return _IMP_kernel.Model_get_particle(self, p)
5591 def get_has_particle(self, p):
5592 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
5593 return _IMP_kernel.Model_get_has_particle(self, p)
5596 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
5597 return _IMP_kernel.Model_get_particle_indexes(self)
5599 def get_model_objects(self):
5600 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
5601 return _IMP_kernel.Model_get_model_objects(self)
5603 def remove_particle(self, pi):
5604 r"""remove_particle(Model self, ParticleIndex pi)"""
5605 return _IMP_kernel.Model_remove_particle(self, pi)
5607 def add_data(self, mk, o):
5608 r"""add_data(Model self, ModelKey mk, Object o)"""
5609 return _IMP_kernel.Model_add_data(self, mk, o)
5611 def get_data(self, mk):
5612 r"""get_data(Model self, ModelKey mk) -> Object"""
5613 return _IMP_kernel.Model_get_data(self, mk)
5615 def remove_data(self, mk):
5616 r"""remove_data(Model self, ModelKey mk)"""
5617 return _IMP_kernel.Model_remove_data(self, mk)
5619 def get_has_data(self, mk):
5620 r"""get_has_data(Model self, ModelKey mk) -> bool"""
5621 return _IMP_kernel.Model_get_has_data(self, mk)
5624 r"""get_age(Model self) -> unsigned int"""
5625 return _IMP_kernel.Model_get_age(self)
5627 def get_trigger_last_updated(self, tk):
5628 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
5629 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
5631 def set_trigger_updated(self, tk):
5632 r"""set_trigger_updated(Model self, TriggerKey tk)"""
5633 return _IMP_kernel.Model_set_trigger_updated(self, tk)
5635 def get_dependencies_updated(self):
5636 r"""get_dependencies_updated(Model self) -> unsigned int"""
5637 return _IMP_kernel.Model_get_dependencies_updated(self)
5639 def get_removed_particles_attributes_age(self):
5640 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
5641 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
5643 def save_dependencies(self):
5644 r"""save_dependencies(Model self)"""
5645 return _IMP_kernel.Model_save_dependencies(self)
5647 def restore_dependencies(self):
5648 r"""restore_dependencies(Model self)"""
5649 return _IMP_kernel.Model_restore_dependencies(self)
5651 def get_particles_size(self):
5652 r"""get_particles_size(Model self) -> unsigned int"""
5653 return _IMP_kernel.Model_get_particles_size(self)
5655 def get_unique_id(self):
5656 r"""get_unique_id(Model self) -> uint32_t"""
5657 return _IMP_kernel.Model_get_unique_id(self)
5660 def get_by_unique_id(id):
5661 r"""get_by_unique_id(uint32_t id) -> Model"""
5662 return _IMP_kernel.Model_get_by_unique_id(id)
5665 r"""get_version_info(Model self) -> VersionInfo"""
5666 return _IMP_kernel.Model_get_version_info(self)
5667 __swig_destroy__ = _IMP_kernel.delete_Model
5669 r"""__del__(Model self)"""
5671 _director_objects.cleanup()
5678 r"""do_destroy(Model self)"""
5679 return _IMP_kernel.Model_do_destroy(self)
5682 r"""__str__(Model self) -> std::string"""
5683 return _IMP_kernel.Model___str__(self)
5686 r"""__repr__(Model self) -> std::string"""
5687 return _IMP_kernel.Model___repr__(self)
5691 return _object_cast_to_Model(o)
5694 def _get_as_binary(self):
5695 r"""_get_as_binary(Model self) -> PyObject *"""
5696 return _IMP_kernel.Model__get_as_binary(self)
5698 def _set_from_binary(self, p):
5699 r"""_set_from_binary(Model self, PyObject * p)"""
5700 return _IMP_kernel.Model__set_from_binary(self, p)
5702 def __getstate__(self):
5703 p = self._get_as_binary()
5704 if len(self.__dict__) > 1:
5705 d = self.__dict__.copy()
5710 def __setstate__(self, p):
5711 if not hasattr(self,
'this'):
5713 if isinstance(p, tuple):
5715 self.__dict__.update(d)
5716 return self._set_from_binary(p)
5720 """Get the model's attribute array for IntKey k as a NumPy array.
5721 The array is indexed by ParticleIndex; particles that don't have
5722 this attribute will either be off the end of the array or will have
5724 This is a NumPy view that shares memory with the Model. Thus,
5725 any changes to values in this list will be reflected in the Model.
5726 Also, if the Model attribute array moves in memory (e.g. if particles
5727 or attributes are added) this array will be invalidated, so it is
5728 unsafe to keep it around long term.
5729 If read_only is set True, values in the array cannot be changed.
5731 return _get_ints_numpy(self, k, self, read_only)
5734 """Get the model's attribute array for any type of Key
5735 k as a NumPy array. See Model::get_ints_numpy() for more details."""
5736 _numpy_meth_map = {IntKey: _get_ints_numpy,
5737 FloatKey: _get_floats_numpy,
5738 Vector3DKey: _get_vector3ds_numpy}
5739 return _numpy_meth_map[type(k)](self, k, self, read_only)
5742 """Get the model's attribute array for FloatKey k as a NumPy array.
5743 See Model::get_ints_numpy() for more details."""
5744 return _get_floats_numpy(self, k, self, read_only)
5747 """Get the model's attribute derivatives array for FloatKey k
5748 as a NumPy array. See Model::get_ints_numpy() for more details."""
5749 return _get_derivatives_numpy(self, k, self, read_only)
5752 """Get the model's attribute array for Vector3DKey k as a NumPy array.
5753 See Model::get_ints_numpy() for more details."""
5754 return _get_vector3ds_numpy(self, k, self, read_only)
5757 """Get the model's XYZR attribute arrays as NumPy arrays.
5758 The attribute arrays for Cartesian coordinates and radii are
5759 stored separately from those for other FloatKeys. This function
5760 returns a tuple of two NumPy arrays, the first of coordinates and
5761 the second of radii. See Model::get_ints_numpy() for more details."""
5762 return _get_spheres_numpy(self, self, read_only)
5765 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
5766 See Model::get_ints_numpy() for more details."""
5767 return _get_sphere_derivatives_numpy(self, self, read_only)
5770 """Get the model's internal coordinate array as a NumPy array.
5771 The attribute arrays for rigid body internal coordinates are
5772 stored separately from those for other FloatKeys.
5773 See Model::get_ints_numpy() for more details."""
5774 return _get_internal_coordinates_numpy(self, self, read_only)
5777 """Get the model's internal coordinate derivative array as a
5779 See Model::get_ints_numpy() for more details."""
5780 return _get_internal_coordinate_derivatives_numpy(
5781 self, self, read_only)
5785 _IMP_kernel.Model_swigregister(Model)
5787 r"""Proxy of C++ IMP::Decorator class."""
5789 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5790 __repr__ = _swig_repr
5792 def __init__(self, p):
5793 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
5794 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
5796 def __ne__(self, o):
5797 r"""__ne__(Decorator self, Object o) -> bool"""
5798 return _IMP_kernel.Decorator___ne__(self, o)
5800 def __lt__(self, o):
5801 r"""__lt__(Decorator self, Object o) -> bool"""
5802 return _IMP_kernel.Decorator___lt__(self, o)
5804 def __gt__(self, o):
5805 r"""__gt__(Decorator self, Object o) -> bool"""
5806 return _IMP_kernel.Decorator___gt__(self, o)
5808 def __ge__(self, o):
5809 r"""__ge__(Decorator self, Object o) -> bool"""
5810 return _IMP_kernel.Decorator___ge__(self, o)
5812 def __le__(self, o):
5813 r"""__le__(Decorator self, Object o) -> bool"""
5814 return _IMP_kernel.Decorator___le__(self, o)
5817 r"""get_particle(Decorator self) -> Particle"""
5818 return _IMP_kernel.Decorator_get_particle(self)
5820 def get_particle_index(self):
5821 r"""get_particle_index(Decorator self) -> ParticleIndex"""
5822 return _IMP_kernel.Decorator_get_particle_index(self)
5824 def get_model(self):
5825 m = _IMP_kernel.Decorator_get_model(self)
5826 if m
in _models_set:
5827 m = _models_set_get(m)
5832 def get_is_valid(self):
5833 r"""get_is_valid(Decorator self) -> bool"""
5834 return _IMP_kernel.Decorator_get_is_valid(self)
5837 r"""__hash__(Decorator self) -> std::size_t"""
5838 return _IMP_kernel.Decorator___hash__(self)
5840 def __eq__(self, *args):
5842 __eq__(Decorator self, Object o) -> bool
5843 __eq__(Decorator self, Decorator o) -> bool
5844 __eq__(Decorator self, Particle o) -> bool
5846 return _IMP_kernel.Decorator___eq__(self, *args)
5849 r"""__bool__(Decorator self) -> bool"""
5850 return _IMP_kernel.Decorator___bool__(self)
5851 __swig_destroy__ = _IMP_kernel.delete_Decorator
5854 _IMP_kernel.Decorator_swigregister(Decorator)
5856 def check_particle(m, pi):
5857 r"""check_particle(Model m, ParticleIndex pi)"""
5858 return _IMP_kernel.check_particle(m, pi)
5860 r"""Proxy of C++ IMP::UnaryFunction class."""
5862 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5864 def __init__(self, *args):
5865 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
5866 if self.__class__ == UnaryFunction:
5870 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
5872 if self.__class__ != UnaryFunction:
5873 _director_objects.register(self)
5878 def evaluate(self, feature):
5879 r"""evaluate(UnaryFunction self, double feature) -> double"""
5880 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
5882 def evaluate_with_derivative(self, feature):
5883 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
5884 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
5885 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
5888 r"""__str__(UnaryFunction self) -> std::string"""
5889 return _IMP_kernel.UnaryFunction___str__(self)
5892 r"""__repr__(UnaryFunction self) -> std::string"""
5893 return _IMP_kernel.UnaryFunction___repr__(self)
5897 return _object_cast_to_UnaryFunction(o)
5900 def do_show(self, out):
5905 return _object_cast_to_UnaryFunction(o)
5909 """Return a JAX implementation of this UnaryFunction.
5910 Implement this method in a UnaryFunction subclass to provide
5911 an equivalent function using [JAX](https://docs.jax.dev/)
5912 that scores the provided feature value.
5914 raise NotImplementedError(f
"No JAX implementation for {self}")
5916 def __disown__(self):
5918 _IMP_kernel.disown_UnaryFunction(self)
5919 return weakref.proxy(self)
5922 r"""do_destroy(UnaryFunction self)"""
5923 return _IMP_kernel.UnaryFunction_do_destroy(self)
5926 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
5928 r"""Proxy of C++ IMP::OptimizerState class."""
5930 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5932 def __init__(self, *args):
5934 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
5935 __init__(OptimizerState self) -> OptimizerState
5937 if self.__class__ == OptimizerState:
5941 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
5943 if self.__class__ != OptimizerState:
5944 _director_objects.register(self)
5950 r"""update(OptimizerState self)"""
5951 return _IMP_kernel.OptimizerState_update(self)
5953 def set_is_optimizing(self, arg0):
5954 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
5955 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
5957 def get_optimizer(self):
5958 r"""get_optimizer(OptimizerState self) -> Optimizer"""
5959 return _IMP_kernel.OptimizerState_get_optimizer(self)
5961 def set_period(self, p):
5962 r"""set_period(OptimizerState self, unsigned int p)"""
5963 return _IMP_kernel.OptimizerState_set_period(self, p)
5965 def get_period(self):
5966 r"""get_period(OptimizerState self) -> unsigned int"""
5967 return _IMP_kernel.OptimizerState_get_period(self)
5970 r"""reset(OptimizerState self)"""
5971 return _IMP_kernel.OptimizerState_reset(self)
5973 def update_always(self):
5974 r"""update_always(OptimizerState self)"""
5975 return _IMP_kernel.OptimizerState_update_always(self)
5977 def get_number_of_updates(self):
5978 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
5979 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
5981 def set_number_of_updates(self, n):
5982 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
5983 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
5984 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
5986 def do_update(self, arg0):
5987 r"""do_update(OptimizerState self, unsigned int arg0)"""
5988 return _IMP_kernel.OptimizerState_do_update(self, arg0)
5990 def do_set_is_optimizing(self, arg0):
5991 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
5992 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
5994 def do_get_inputs(self):
5995 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
5996 return _IMP_kernel.OptimizerState_do_get_inputs(self)
5998 def do_get_outputs(self):
5999 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6000 return _IMP_kernel.OptimizerState_do_get_outputs(self)
6003 r"""__str__(OptimizerState self) -> std::string"""
6004 return _IMP_kernel.OptimizerState___str__(self)
6007 r"""__repr__(OptimizerState self) -> std::string"""
6008 return _IMP_kernel.OptimizerState___repr__(self)
6012 return _object_cast_to_OptimizerState(o)
6015 def do_show(self, out):
6020 return _object_cast_to_OptimizerState(o)
6023 def _get_jax(self, state_index):
6024 """Add JAX support for this OptimizerState.
6026 Each OptimizerState must explicitly support how it is going to
6027 be called when the Optimizer is run via JAX.
6029 OptimizerStates can run as traditional IMP CPU code
6030 on the IMP Model object, in which case None should be returned here.
6031 The Optimizer will sync any necessary information from JAX back
6032 with the IMP Model before calling the OptimizerState. However,
6033 the OptimizerState is not permitted to modify the Model; any
6034 changes will not be propagated back to the Optimizer.
6035 (For example, a thermostat which tries to change particle
6036 velocities will not function correctly.)
6038 Alternatively, a pure JAX implementation can be provided.
6039 See _wrap_jax for more information.
6041 raise NotImplementedError(f
"No JAX implementation for {self}")
6043 def _wrap_jax(self, init_func, apply_func):
6044 """Create the return value for _get_jax.
6045 Use this method in _get_jax() to wrap the JAX function
6046 with other OptimizerState-specific information.
6048 @param init_func a JAX function which, given a JAX Optimizer,
6049 does any necessary setup and returns a (possibly modified)
6050 JAX Optimizer. If any OptimizerState-specific
6051 persistent state is needed, it can be stored in
6052 `opt.optimizer_states[state_index]` and later retrieved or
6053 modified in apply_func.
6054 @param apply_func a JAX function which, given a JAX Optimizer,
6055 does the JAX equivalent of do_update() and returns a new
6058 from IMP._jax_util
import JAXOptimizerStateInfo
6059 return JAXOptimizerStateInfo(self, init_func, apply_func)
6061 def __disown__(self):
6063 _IMP_kernel.disown_OptimizerState(self)
6064 return weakref.proxy(self)
6067 r"""do_destroy(OptimizerState self)"""
6068 return _IMP_kernel.OptimizerState_do_destroy(self)
6070 def handle_set_has_required_score_states(self, arg0):
6071 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
6072 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
6074 def do_get_interactions(self):
6075 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
6076 return _IMP_kernel.OptimizerState_do_get_interactions(self)
6079 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
6081 r"""Proxy of C++ IMP::Refiner class."""
6083 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6085 def __init__(self, *args):
6086 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
6087 if self.__class__ == Refiner:
6091 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
6093 if self.__class__ != Refiner:
6094 _director_objects.register(self)
6099 def get_can_refine(self, arg0):
6100 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
6101 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
6103 def get_refined_indexes(self, m, pi):
6104 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
6105 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
6107 def get_refined_indexes_by_ref(self, m, pi):
6108 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
6109 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
6111 def get_is_by_ref_supported(self):
6112 r"""get_is_by_ref_supported(Refiner self) -> bool"""
6113 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
6115 def get_refined(self, *args):
6117 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
6118 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
6120 return _IMP_kernel.Refiner_get_refined(self, *args)
6122 def get_number_of_refined(self, a):
6123 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
6124 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
6127 r"""__str__(Refiner self) -> std::string"""
6128 return _IMP_kernel.Refiner___str__(self)
6131 r"""__repr__(Refiner self) -> std::string"""
6132 return _IMP_kernel.Refiner___repr__(self)
6136 return _object_cast_to_Refiner(o)
6139 def do_show(self, out):
6144 return _object_cast_to_Refiner(o)
6146 __swig_destroy__ = _IMP_kernel.delete_Refiner
6147 def __disown__(self):
6149 _IMP_kernel.disown_Refiner(self)
6150 return weakref.proxy(self)
6152 def do_get_inputs(self, m, pis):
6153 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6154 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
6157 r"""do_destroy(Refiner self)"""
6158 return _IMP_kernel.Refiner_do_destroy(self)
6161 _IMP_kernel.Refiner_swigregister(Refiner)
6163 r"""Proxy of C++ IMP::Optimizer class."""
6165 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6167 def set_is_optimizing_states(self, tf):
6168 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
6169 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
6171 def get_optimizer_state_inputs(self):
6172 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6173 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
6175 def do_get_inputs(self):
6176 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6177 return _IMP_kernel.Optimizer_do_get_inputs(self)
6179 def do_get_outputs(self):
6180 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6181 return _IMP_kernel.Optimizer_do_get_outputs(self)
6183 def __init__(self, *args):
6185 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
6186 __init__(Optimizer self) -> Optimizer
6188 if self.__class__ == Optimizer:
6192 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
6194 if self.__class__ != Optimizer:
6195 _director_objects.register(self)
6200 def optimize(self, max_steps):
6201 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
6202 return _IMP_kernel.Optimizer_optimize(self, max_steps)
6204 def set_stop_on_good_score(self, tf):
6205 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
6206 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
6208 def get_stop_on_good_score(self):
6209 r"""get_stop_on_good_score(Optimizer self) -> bool"""
6210 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
6212 def get_last_score(self):
6213 r"""get_last_score(Optimizer self) -> double"""
6214 return _IMP_kernel.Optimizer_get_last_score(self)
6216 def get_scoring_function(self):
6217 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
6218 return _IMP_kernel.Optimizer_get_scoring_function(self)
6219 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)
6220 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
6221 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
6222 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
6224 def remove_optimizer_state(self, d):
6225 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
6226 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
6228 def _python_index_optimizer_state(self, d, start, stop):
6229 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
6230 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
6232 def remove_optimizer_states(self, d):
6233 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
6234 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
6236 def set_optimizer_states(self, ps):
6237 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
6238 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
6240 def set_optimizer_states_order(self, objs):
6241 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
6242 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
6244 def add_optimizer_state(self, obj):
6245 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
6246 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
6248 def add_optimizer_states(self, objs):
6249 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
6250 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
6252 def clear_optimizer_states(self):
6253 r"""clear_optimizer_states(Optimizer self)"""
6254 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
6256 def get_number_of_optimizer_states(self):
6257 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
6258 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
6260 def get_has_optimizer_states(self):
6261 r"""get_has_optimizer_states(Optimizer self) -> bool"""
6262 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
6264 def get_optimizer_state(self, i):
6265 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
6266 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
6268 def get_optimizer_states(self):
6269 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
6270 return _IMP_kernel.Optimizer_get_optimizer_states(self)
6272 def erase_optimizer_state(self, i):
6273 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
6274 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
6276 def reserve_optimizer_states(self, sz):
6277 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
6278 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
6280 def set_scoring_function(self, sf):
6281 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
6282 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
6283 __swig_destroy__ = _IMP_kernel.delete_Optimizer
6285 r"""__del__(Optimizer self)"""
6287 _director_objects.cleanup()
6293 def do_optimize(self, ns):
6294 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
6295 return _IMP_kernel.Optimizer_do_optimize(self, ns)
6297 def update_states(self):
6298 r"""update_states(Optimizer self)"""
6299 return _IMP_kernel.Optimizer_update_states(self)
6302 r"""__str__(Optimizer self) -> std::string"""
6303 return _IMP_kernel.Optimizer___str__(self)
6306 r"""__repr__(Optimizer self) -> std::string"""
6307 return _IMP_kernel.Optimizer___repr__(self)
6311 return _object_cast_to_Optimizer(o)
6314 def do_show(self, out):
6319 return _object_cast_to_Optimizer(o)
6321 def __disown__(self):
6323 _IMP_kernel.disown_Optimizer(self)
6324 return weakref.proxy(self)
6327 r"""do_destroy(Optimizer self)"""
6328 return _IMP_kernel.Optimizer_do_destroy(self)
6330 def handle_set_has_required_score_states(self, arg0):
6331 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
6332 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
6334 def do_get_interactions(self):
6335 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
6336 return _IMP_kernel.Optimizer_do_get_interactions(self)
6339 _IMP_kernel.Optimizer_swigregister(Optimizer)
6341 r"""Proxy of C++ IMP::AttributeOptimizer class."""
6343 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6345 def __init__(self, *args):
6347 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
6348 __init__(AttributeOptimizer self) -> AttributeOptimizer
6350 if self.__class__ == AttributeOptimizer:
6354 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
6356 if self.__class__ != AttributeOptimizer:
6357 _director_objects.register(self)
6362 def get_optimized_attributes(self):
6363 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
6364 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
6366 def set_value(self, fi, v):
6367 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
6368 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
6370 def get_value(self, fi):
6371 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6372 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
6374 def get_derivative(self, fi):
6375 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6376 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
6378 def get_width(self, k):
6379 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
6380 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
6382 def set_scaled_value(self, fi, v):
6383 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
6384 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
6386 def get_scaled_value(self, fi):
6387 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
6388 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
6390 def get_scaled_derivative(self, fi):
6391 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
6392 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
6394 def clear_range_cache(self):
6395 r"""clear_range_cache(AttributeOptimizer self)"""
6396 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
6399 r"""__str__(AttributeOptimizer self) -> std::string"""
6400 return _IMP_kernel.AttributeOptimizer___str__(self)
6403 r"""__repr__(AttributeOptimizer self) -> std::string"""
6404 return _IMP_kernel.AttributeOptimizer___repr__(self)
6408 return _object_cast_to_AttributeOptimizer(o)
6411 def do_show(self, out):
6416 return _object_cast_to_AttributeOptimizer(o)
6418 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
6419 def __disown__(self):
6421 _IMP_kernel.disown_AttributeOptimizer(self)
6422 return weakref.proxy(self)
6425 r"""do_destroy(AttributeOptimizer self)"""
6426 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
6428 def handle_set_has_required_score_states(self, arg0):
6429 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
6430 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
6432 def do_get_inputs(self):
6433 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6434 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
6436 def do_get_outputs(self):
6437 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6438 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
6440 def do_get_interactions(self):
6441 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
6442 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
6444 def do_optimize(self, ns):
6445 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
6446 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
6449 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
6451 r"""Proxy of C++ IMP::ConfigurationSet class."""
6453 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6455 def __init__(self, *args):
6456 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
6457 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
6459 def save_configuration(self):
6460 r"""save_configuration(ConfigurationSet self)"""
6461 return _IMP_kernel.ConfigurationSet_save_configuration(self)
6463 def get_number_of_configurations(self):
6464 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
6465 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
6467 def load_configuration(self, i):
6468 r"""load_configuration(ConfigurationSet self, int i)"""
6469 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
6471 def remove_configuration(self, i):
6472 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
6473 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
6475 def get_model(self):
6476 r"""get_model(ConfigurationSet self) -> Model"""
6477 return _IMP_kernel.ConfigurationSet_get_model(self)
6480 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
6481 return _IMP_kernel.ConfigurationSet_get_version_info(self)
6482 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
6485 r"""__str__(ConfigurationSet self) -> std::string"""
6486 return _IMP_kernel.ConfigurationSet___str__(self)
6489 r"""__repr__(ConfigurationSet self) -> std::string"""
6490 return _IMP_kernel.ConfigurationSet___repr__(self)
6494 return _object_cast_to_ConfigurationSet(o)
6498 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
6500 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
6502 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6504 def __init__(self, cs):
6505 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
6506 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
6509 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
6510 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
6511 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
6514 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6515 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
6518 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6519 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
6523 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
6527 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
6529 r"""Proxy of C++ IMP::Configuration class."""
6531 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6533 def __init__(self, *args):
6535 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
6536 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
6538 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
6540 def load_configuration(self):
6541 r"""load_configuration(Configuration self)"""
6542 return _IMP_kernel.Configuration_load_configuration(self)
6544 def swap_configuration(self):
6545 r"""swap_configuration(Configuration self)"""
6546 return _IMP_kernel.Configuration_swap_configuration(self)
6549 r"""get_version_info(Configuration self) -> VersionInfo"""
6550 return _IMP_kernel.Configuration_get_version_info(self)
6551 __swig_destroy__ = _IMP_kernel.delete_Configuration
6554 r"""__str__(Configuration self) -> std::string"""
6555 return _IMP_kernel.Configuration___str__(self)
6558 r"""__repr__(Configuration self) -> std::string"""
6559 return _IMP_kernel.Configuration___repr__(self)
6563 return _object_cast_to_Configuration(o)
6567 _IMP_kernel.Configuration_swigregister(Configuration)
6569 r"""Proxy of C++ IMP::Sampler class."""
6571 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6573 def __init__(self, *args):
6574 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
6575 if self.__class__ == Sampler:
6579 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
6581 if self.__class__ != Sampler:
6582 _director_objects.register(self)
6587 def create_sample(self):
6588 r"""create_sample(Sampler self) -> ConfigurationSet"""
6589 return _IMP_kernel.Sampler_create_sample(self)
6591 def get_scoring_function(self):
6592 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
6593 return _IMP_kernel.Sampler_get_scoring_function(self)
6595 def set_scoring_function(self, sf):
6596 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
6597 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
6599 def get_model(self):
6600 r"""get_model(Sampler self) -> Model"""
6601 return _IMP_kernel.Sampler_get_model(self)
6603 def do_sample(self):
6604 r"""do_sample(Sampler self) -> ConfigurationSet"""
6605 return _IMP_kernel.Sampler_do_sample(self)
6606 __swig_destroy__ = _IMP_kernel.delete_Sampler
6609 r"""__str__(Sampler self) -> std::string"""
6610 return _IMP_kernel.Sampler___str__(self)
6613 r"""__repr__(Sampler self) -> std::string"""
6614 return _IMP_kernel.Sampler___repr__(self)
6618 return _object_cast_to_Sampler(o)
6621 def do_show(self, out):
6626 return _object_cast_to_Sampler(o)
6628 def __disown__(self):
6630 _IMP_kernel.disown_Sampler(self)
6631 return weakref.proxy(self)
6634 r"""do_destroy(Sampler self)"""
6635 return _IMP_kernel.Sampler_do_destroy(self)
6638 _IMP_kernel.Sampler_swigregister(Sampler)
6640 r"""Proxy of C++ IMP::PairModifier class."""
6642 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6644 def __init__(self, *args):
6645 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
6646 if self.__class__ == PairModifier:
6650 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
6652 if self.__class__ != PairModifier:
6653 _director_objects.register(self)
6658 def apply_index(self, m, v):
6659 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
6660 return _IMP_kernel.PairModifier_apply_index(self, m, v)
6662 def apply_indexes(self, m, o, lower_bound, upper_bound):
6663 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
6664 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
6666 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
6667 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)"""
6668 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
6671 r"""__str__(PairModifier self) -> std::string"""
6672 return _IMP_kernel.PairModifier___str__(self)
6675 r"""__repr__(PairModifier self) -> std::string"""
6676 return _IMP_kernel.PairModifier___repr__(self)
6680 return _object_cast_to_PairModifier(o)
6683 def do_show(self, out):
6688 return _object_cast_to_PairModifier(o)
6690 __swig_destroy__ = _IMP_kernel.delete_PairModifier
6691 def __disown__(self):
6693 _IMP_kernel.disown_PairModifier(self)
6694 return weakref.proxy(self)
6696 def do_get_inputs(self, m, pis):
6697 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6698 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
6700 def do_get_outputs(self, m, pis):
6701 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6702 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
6705 r"""do_destroy(PairModifier self)"""
6706 return _IMP_kernel.PairModifier_do_destroy(self)
6709 _IMP_kernel.PairModifier_swigregister(PairModifier)
6711 r"""Proxy of C++ IMP::PairScore class."""
6713 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6715 def __init__(self, *args):
6716 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
6717 if self.__class__ == PairScore:
6721 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
6723 if self.__class__ != PairScore:
6724 _director_objects.register(self)
6729 def evaluate_index(self, m, vt, da):
6730 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
6731 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
6733 def check_indexes(self, m, pis):
6734 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
6735 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
6737 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
6738 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"""
6739 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
6741 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6742 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"""
6743 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
6745 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
6746 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"""
6747 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
6749 def evaluate_if_good_index(self, m, vt, da, max):
6750 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
6751 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
6753 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6754 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"""
6755 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
6757 def create_current_decomposition(self, m, vt):
6758 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6759 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
6761 def do_create_current_decomposition(self, m, vt):
6762 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6763 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
6764 __swig_destroy__ = _IMP_kernel.delete_PairScore
6767 r"""__str__(PairScore self) -> std::string"""
6768 return _IMP_kernel.PairScore___str__(self)
6771 r"""__repr__(PairScore self) -> std::string"""
6772 return _IMP_kernel.PairScore___repr__(self)
6776 return _object_cast_to_PairScore(o)
6779 def do_show(self, out):
6784 return _object_cast_to_PairScore(o)
6787 def _wrap_jax(self, score_func, keys=None):
6788 """Create the return value for _get_jax.
6789 Use this method in _get_jax() to wrap the JAX scoring function
6790 with other score-specific information.
6792 @param score_func A function implemented using JAX that takes
6793 two arguments (the current JAX Model, and the
6794 ParticlePairIndexes to act on) and returns the total
6795 score (for all indexes).
6796 @param keys Model attributes used by the PairScore.
6797 See IMP::Restraint::_wrap_jax.
6799 from IMP._jax_util
import JAXScoreInfo
6800 return JAXScoreInfo(score_func=score_func, keys=keys)
6803 """Return a JAX implementation of this PairScore.
6804 Implement this method in a PairScore subclass to provide
6805 an equivalent function using [JAX](https://docs.jax.dev/)
6806 that scores the current JAX Model with a given set of
6807 ParticlePairIndexes. See also _wrap_jax.
6809 raise NotImplementedError(f
"No JAX implementation for {self}")
6811 def __disown__(self):
6813 _IMP_kernel.disown_PairScore(self)
6814 return weakref.proxy(self)
6816 def do_get_inputs(self, m, pis):
6817 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6818 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
6821 r"""do_destroy(PairScore self)"""
6822 return _IMP_kernel.PairScore_do_destroy(self)
6825 _IMP_kernel.PairScore_swigregister(PairScore)
6827 r"""Proxy of C++ IMP::PairPredicate class."""
6829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6831 def __init__(self, *args):
6832 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
6833 if self.__class__ == PairPredicate:
6837 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
6839 if self.__class__ != PairPredicate:
6840 _director_objects.register(self)
6845 def setup_for_get_value_index_in_batch(self, arg0):
6846 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
6847 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
6849 def get_value_index_in_batch(self, m, vt):
6850 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6851 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
6853 def __call__(self, m, vt):
6854 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6855 return _IMP_kernel.PairPredicate___call__(self, m, vt)
6857 def get_value_index(self, *args):
6859 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
6860 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6862 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
6863 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
6866 r"""__str__(PairPredicate self) -> std::string"""
6867 return _IMP_kernel.PairPredicate___str__(self)
6870 r"""__repr__(PairPredicate self) -> std::string"""
6871 return _IMP_kernel.PairPredicate___repr__(self)
6875 return _object_cast_to_PairPredicate(o)
6878 def do_show(self, out):
6883 return _object_cast_to_PairPredicate(o)
6885 def __disown__(self):
6887 _IMP_kernel.disown_PairPredicate(self)
6888 return weakref.proxy(self)
6890 def do_get_inputs(self, m, pis):
6891 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6892 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
6895 r"""do_destroy(PairPredicate self)"""
6896 return _IMP_kernel.PairPredicate_do_destroy(self)
6899 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
6901 r"""Proxy of C++ IMP::PairContainer class."""
6903 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6905 def apply_generic(self, m):
6906 r"""apply_generic(PairContainer self, PairModifier m)"""
6907 return _IMP_kernel.PairContainer_apply_generic(self, m)
6909 def apply_generic_moved(self, m, moved_pis, reset_pis):
6910 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6911 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
6913 def apply(self, sm):
6914 r"""apply(PairContainer self, PairModifier sm)"""
6915 return _IMP_kernel.PairContainer_apply(self, sm)
6917 def apply_moved(self, sm, moved_pis, reset_pis):
6918 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6919 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
6921 def get_range_indexes(self):
6922 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6923 return _IMP_kernel.PairContainer_get_range_indexes(self)
6925 def get_contents(self):
6926 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
6927 return _IMP_kernel.PairContainer_get_contents(self)
6930 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6931 return _IMP_kernel.PairContainer_get_indexes(self)
6933 def get(self, *args):
6935 get(PairContainer self) -> IMP::ParticlePairsTemp
6936 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
6938 return _IMP_kernel.PairContainer_get(self, *args)
6940 def get_number(self):
6941 r"""get_number(PairContainer self) -> unsigned int"""
6942 return _IMP_kernel.PairContainer_get_number(self)
6944 def __init__(self, *args):
6946 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
6947 __init__(PairContainer self) -> PairContainer
6949 if self.__class__ == PairContainer:
6953 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
6955 if self.__class__ != PairContainer:
6956 _director_objects.register(self)
6961 def do_apply(self, sm):
6962 r"""do_apply(PairContainer self, PairModifier sm)"""
6963 return _IMP_kernel.PairContainer_do_apply(self, sm)
6965 def do_apply_moved(self, sm, moved_pis, reset_pis):
6966 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6967 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
6969 def do_get_provides_access(self):
6970 r"""do_get_provides_access(PairContainer self) -> bool"""
6971 return _IMP_kernel.PairContainer_do_get_provides_access(self)
6972 __swig_destroy__ = _IMP_kernel.delete_PairContainer
6975 r"""__str__(PairContainer self) -> std::string"""
6976 return _IMP_kernel.PairContainer___str__(self)
6979 r"""__repr__(PairContainer self) -> std::string"""
6980 return _IMP_kernel.PairContainer___repr__(self)
6984 return _object_cast_to_PairContainer(o)
6987 def do_show(self, out):
6992 return _object_cast_to_PairContainer(o)
6994 def __disown__(self):
6996 _IMP_kernel.disown_PairContainer(self)
6997 return weakref.proxy(self)
7000 r"""do_destroy(PairContainer self)"""
7001 return _IMP_kernel.PairContainer_do_destroy(self)
7003 def handle_set_has_required_score_states(self, arg0):
7004 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
7005 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
7007 def do_get_inputs(self):
7008 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
7009 return _IMP_kernel.PairContainer_do_get_inputs(self)
7011 def do_get_interactions(self):
7012 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
7013 return _IMP_kernel.PairContainer_do_get_interactions(self)
7015 def do_get_contents_hash(self):
7016 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
7017 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
7020 _IMP_kernel.PairContainer_swigregister(PairContainer)
7021 class _PairContainerAdaptor(_InputAdaptor):
7022 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
7024 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7025 __repr__ = _swig_repr
7027 def __init__(self, *args):
7029 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
7030 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
7031 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
7033 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
7035 def set_name_if_default(self, name):
7036 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
7037 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
7038 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
7041 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
7043 r"""Proxy of C++ IMP::QuadModifier class."""
7045 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7047 def __init__(self, *args):
7048 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
7049 if self.__class__ == QuadModifier:
7053 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
7055 if self.__class__ != QuadModifier:
7056 _director_objects.register(self)
7061 def apply_index(self, m, v):
7062 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
7063 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
7065 def apply_indexes(self, m, o, lower_bound, upper_bound):
7066 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7067 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7069 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7070 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)"""
7071 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7074 r"""__str__(QuadModifier self) -> std::string"""
7075 return _IMP_kernel.QuadModifier___str__(self)
7078 r"""__repr__(QuadModifier self) -> std::string"""
7079 return _IMP_kernel.QuadModifier___repr__(self)
7083 return _object_cast_to_QuadModifier(o)
7086 def do_show(self, out):
7091 return _object_cast_to_QuadModifier(o)
7093 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
7094 def __disown__(self):
7096 _IMP_kernel.disown_QuadModifier(self)
7097 return weakref.proxy(self)
7099 def do_get_inputs(self, m, pis):
7100 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7101 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
7103 def do_get_outputs(self, m, pis):
7104 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7105 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
7108 r"""do_destroy(QuadModifier self)"""
7109 return _IMP_kernel.QuadModifier_do_destroy(self)
7112 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
7114 r"""Proxy of C++ IMP::QuadScore class."""
7116 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7118 def __init__(self, *args):
7119 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
7120 if self.__class__ == QuadScore:
7124 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
7126 if self.__class__ != QuadScore:
7127 _director_objects.register(self)
7132 def evaluate_index(self, m, vt, da):
7133 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
7134 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
7136 def check_indexes(self, m, pis):
7137 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7138 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
7140 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7141 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"""
7142 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7144 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7145 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"""
7146 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7148 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7149 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"""
7150 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7152 def evaluate_if_good_index(self, m, vt, da, max):
7153 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
7154 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
7156 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7157 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"""
7158 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7160 def create_current_decomposition(self, m, vt):
7161 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7162 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
7164 def do_create_current_decomposition(self, m, vt):
7165 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7166 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
7167 __swig_destroy__ = _IMP_kernel.delete_QuadScore
7170 r"""__str__(QuadScore self) -> std::string"""
7171 return _IMP_kernel.QuadScore___str__(self)
7174 r"""__repr__(QuadScore self) -> std::string"""
7175 return _IMP_kernel.QuadScore___repr__(self)
7179 return _object_cast_to_QuadScore(o)
7182 def do_show(self, out):
7187 return _object_cast_to_QuadScore(o)
7189 def __disown__(self):
7191 _IMP_kernel.disown_QuadScore(self)
7192 return weakref.proxy(self)
7194 def do_get_inputs(self, m, pis):
7195 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7196 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
7199 r"""do_destroy(QuadScore self)"""
7200 return _IMP_kernel.QuadScore_do_destroy(self)
7203 _IMP_kernel.QuadScore_swigregister(QuadScore)
7205 r"""Proxy of C++ IMP::QuadPredicate class."""
7207 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7209 def __init__(self, *args):
7210 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
7211 if self.__class__ == QuadPredicate:
7215 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
7217 if self.__class__ != QuadPredicate:
7218 _director_objects.register(self)
7223 def setup_for_get_value_index_in_batch(self, arg0):
7224 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
7225 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
7227 def get_value_index_in_batch(self, m, vt):
7228 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7229 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
7231 def __call__(self, m, vt):
7232 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7233 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
7235 def get_value_index(self, *args):
7237 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
7238 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
7240 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
7241 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
7244 r"""__str__(QuadPredicate self) -> std::string"""
7245 return _IMP_kernel.QuadPredicate___str__(self)
7248 r"""__repr__(QuadPredicate self) -> std::string"""
7249 return _IMP_kernel.QuadPredicate___repr__(self)
7253 return _object_cast_to_QuadPredicate(o)
7256 def do_show(self, out):
7261 return _object_cast_to_QuadPredicate(o)
7263 def __disown__(self):
7265 _IMP_kernel.disown_QuadPredicate(self)
7266 return weakref.proxy(self)
7268 def do_get_inputs(self, m, pis):
7269 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7270 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
7273 r"""do_destroy(QuadPredicate self)"""
7274 return _IMP_kernel.QuadPredicate_do_destroy(self)
7277 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
7279 r"""Proxy of C++ IMP::QuadContainer class."""
7281 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7283 def apply_generic(self, m):
7284 r"""apply_generic(QuadContainer self, QuadModifier m)"""
7285 return _IMP_kernel.QuadContainer_apply_generic(self, m)
7287 def apply_generic_moved(self, m, moved_pis, reset_pis):
7288 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7289 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7291 def apply(self, sm):
7292 r"""apply(QuadContainer self, QuadModifier sm)"""
7293 return _IMP_kernel.QuadContainer_apply(self, sm)
7295 def apply_moved(self, sm, moved_pis, reset_pis):
7296 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7297 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
7299 def get_range_indexes(self):
7300 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7301 return _IMP_kernel.QuadContainer_get_range_indexes(self)
7303 def get_contents(self):
7304 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
7305 return _IMP_kernel.QuadContainer_get_contents(self)
7308 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7309 return _IMP_kernel.QuadContainer_get_indexes(self)
7311 def get(self, *args):
7313 get(QuadContainer self) -> IMP::ParticleQuadsTemp
7314 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
7316 return _IMP_kernel.QuadContainer_get(self, *args)
7318 def get_number(self):
7319 r"""get_number(QuadContainer self) -> unsigned int"""
7320 return _IMP_kernel.QuadContainer_get_number(self)
7322 def __init__(self, *args):
7324 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
7325 __init__(QuadContainer self) -> QuadContainer
7327 if self.__class__ == QuadContainer:
7331 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
7333 if self.__class__ != QuadContainer:
7334 _director_objects.register(self)
7339 def do_apply(self, sm):
7340 r"""do_apply(QuadContainer self, QuadModifier sm)"""
7341 return _IMP_kernel.QuadContainer_do_apply(self, sm)
7343 def do_apply_moved(self, sm, moved_pis, reset_pis):
7344 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7345 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7347 def do_get_provides_access(self):
7348 r"""do_get_provides_access(QuadContainer self) -> bool"""
7349 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
7350 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
7353 r"""__str__(QuadContainer self) -> std::string"""
7354 return _IMP_kernel.QuadContainer___str__(self)
7357 r"""__repr__(QuadContainer self) -> std::string"""
7358 return _IMP_kernel.QuadContainer___repr__(self)
7362 return _object_cast_to_QuadContainer(o)
7365 def do_show(self, out):
7370 return _object_cast_to_QuadContainer(o)
7372 def __disown__(self):
7374 _IMP_kernel.disown_QuadContainer(self)
7375 return weakref.proxy(self)
7378 r"""do_destroy(QuadContainer self)"""
7379 return _IMP_kernel.QuadContainer_do_destroy(self)
7381 def handle_set_has_required_score_states(self, arg0):
7382 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
7383 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
7385 def do_get_inputs(self):
7386 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
7387 return _IMP_kernel.QuadContainer_do_get_inputs(self)
7389 def do_get_interactions(self):
7390 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
7391 return _IMP_kernel.QuadContainer_do_get_interactions(self)
7393 def do_get_contents_hash(self):
7394 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
7395 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
7398 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
7399 class _QuadContainerAdaptor(_InputAdaptor):
7400 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
7402 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7403 __repr__ = _swig_repr
7405 def __init__(self, *args):
7407 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
7408 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
7409 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
7411 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
7413 def set_name_if_default(self, name):
7414 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
7415 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
7416 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
7419 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
7421 r"""Proxy of C++ IMP::SingletonModifier class."""
7423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7425 def __init__(self, *args):
7426 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
7427 if self.__class__ == SingletonModifier:
7431 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
7433 if self.__class__ != SingletonModifier:
7434 _director_objects.register(self)
7439 def apply_index(self, m, v):
7440 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
7441 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
7443 def apply_indexes(self, m, o, lower_bound, upper_bound):
7444 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7445 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7447 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7448 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)"""
7449 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7452 r"""__str__(SingletonModifier self) -> std::string"""
7453 return _IMP_kernel.SingletonModifier___str__(self)
7456 r"""__repr__(SingletonModifier self) -> std::string"""
7457 return _IMP_kernel.SingletonModifier___repr__(self)
7461 return _object_cast_to_SingletonModifier(o)
7464 def do_show(self, out):
7469 return _object_cast_to_SingletonModifier(o)
7472 def _wrap_jax(self, apply_func, keys=None):
7473 from IMP._jax_util
import JAXModifierInfo
7474 return JAXModifierInfo(apply_func=apply_func, keys=keys)
7476 def _get_jax(self, m, index=None):
7477 raise NotImplementedError(f
"No JAX implementation for {self}")
7479 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
7480 def __disown__(self):
7482 _IMP_kernel.disown_SingletonModifier(self)
7483 return weakref.proxy(self)
7485 def do_get_inputs(self, m, pis):
7486 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7487 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
7489 def do_get_outputs(self, m, pis):
7490 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7491 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
7494 r"""do_destroy(SingletonModifier self)"""
7495 return _IMP_kernel.SingletonModifier_do_destroy(self)
7498 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
7500 r"""Proxy of C++ IMP::SingletonScore class."""
7502 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7504 def __init__(self, *args):
7505 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
7506 if self.__class__ == SingletonScore:
7510 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
7512 if self.__class__ != SingletonScore:
7513 _director_objects.register(self)
7518 def evaluate_index(self, m, vt, da):
7519 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
7520 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
7522 def check_indexes(self, m, pis):
7523 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7524 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
7526 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7527 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"""
7528 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7530 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7531 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"""
7532 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7534 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7535 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"""
7536 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7538 def evaluate_if_good_index(self, m, vt, da, max):
7539 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
7540 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
7542 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7543 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"""
7544 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7546 def create_current_decomposition(self, m, vt):
7547 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7548 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
7550 def do_create_current_decomposition(self, m, vt):
7551 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7552 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
7553 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
7556 r"""__str__(SingletonScore self) -> std::string"""
7557 return _IMP_kernel.SingletonScore___str__(self)
7560 r"""__repr__(SingletonScore self) -> std::string"""
7561 return _IMP_kernel.SingletonScore___repr__(self)
7565 return _object_cast_to_SingletonScore(o)
7568 def do_show(self, out):
7573 return _object_cast_to_SingletonScore(o)
7576 def _wrap_jax(self, score_func, keys=None):
7577 """See IMP::PairScore::_wrap_jax"""
7578 from IMP._jax_util
import JAXScoreInfo
7579 return JAXScoreInfo(score_func=score_func, keys=keys)
7582 """See IMP::PairScore::_get_jax"""
7583 raise NotImplementedError(f
"No JAX implementation for {self}")
7585 def __disown__(self):
7587 _IMP_kernel.disown_SingletonScore(self)
7588 return weakref.proxy(self)
7590 def do_get_inputs(self, m, pis):
7591 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7592 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
7595 r"""do_destroy(SingletonScore self)"""
7596 return _IMP_kernel.SingletonScore_do_destroy(self)
7599 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
7601 r"""Proxy of C++ IMP::SingletonPredicate class."""
7603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7605 def __init__(self, *args):
7606 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
7607 if self.__class__ == SingletonPredicate:
7611 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
7613 if self.__class__ != SingletonPredicate:
7614 _director_objects.register(self)
7619 def setup_for_get_value_index_in_batch(self, arg0):
7620 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
7621 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
7623 def get_value_index_in_batch(self, m, vt):
7624 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7625 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
7627 def __call__(self, m, vt):
7628 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7629 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
7631 def get_value_index(self, *args):
7633 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
7634 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
7636 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
7637 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
7640 r"""__str__(SingletonPredicate self) -> std::string"""
7641 return _IMP_kernel.SingletonPredicate___str__(self)
7644 r"""__repr__(SingletonPredicate self) -> std::string"""
7645 return _IMP_kernel.SingletonPredicate___repr__(self)
7649 return _object_cast_to_SingletonPredicate(o)
7652 def do_show(self, out):
7657 return _object_cast_to_SingletonPredicate(o)
7659 def __disown__(self):
7661 _IMP_kernel.disown_SingletonPredicate(self)
7662 return weakref.proxy(self)
7664 def do_get_inputs(self, m, pis):
7665 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7666 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
7669 r"""do_destroy(SingletonPredicate self)"""
7670 return _IMP_kernel.SingletonPredicate_do_destroy(self)
7673 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
7675 r"""Proxy of C++ IMP::SingletonContainer class."""
7677 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7679 def apply_generic(self, m):
7680 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
7681 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
7683 def apply_generic_moved(self, m, moved_pis, reset_pis):
7684 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7685 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7687 def apply(self, sm):
7688 r"""apply(SingletonContainer self, SingletonModifier sm)"""
7689 return _IMP_kernel.SingletonContainer_apply(self, sm)
7691 def apply_moved(self, sm, moved_pis, reset_pis):
7692 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7693 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
7695 def get_range_indexes(self):
7696 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7697 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
7699 def get_contents(self):
7700 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
7701 return _IMP_kernel.SingletonContainer_get_contents(self)
7704 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7705 return _IMP_kernel.SingletonContainer_get_indexes(self)
7707 def get(self, *args):
7709 get(SingletonContainer self) -> IMP::ParticlesTemp
7710 get(SingletonContainer self, unsigned int i) -> Particle
7712 return _IMP_kernel.SingletonContainer_get(self, *args)
7714 def get_number(self):
7715 r"""get_number(SingletonContainer self) -> unsigned int"""
7716 return _IMP_kernel.SingletonContainer_get_number(self)
7718 def __init__(self, *args):
7720 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
7721 __init__(SingletonContainer self) -> SingletonContainer
7723 if self.__class__ == SingletonContainer:
7727 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
7729 if self.__class__ != SingletonContainer:
7730 _director_objects.register(self)
7735 def do_apply(self, sm):
7736 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
7737 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
7739 def do_apply_moved(self, sm, moved_pis, reset_pis):
7740 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7741 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7743 def do_get_provides_access(self):
7744 r"""do_get_provides_access(SingletonContainer self) -> bool"""
7745 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
7746 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
7749 r"""__str__(SingletonContainer self) -> std::string"""
7750 return _IMP_kernel.SingletonContainer___str__(self)
7753 r"""__repr__(SingletonContainer self) -> std::string"""
7754 return _IMP_kernel.SingletonContainer___repr__(self)
7758 return _object_cast_to_SingletonContainer(o)
7761 def do_show(self, out):
7766 return _object_cast_to_SingletonContainer(o)
7768 def __disown__(self):
7770 _IMP_kernel.disown_SingletonContainer(self)
7771 return weakref.proxy(self)
7774 r"""do_destroy(SingletonContainer self)"""
7775 return _IMP_kernel.SingletonContainer_do_destroy(self)
7777 def handle_set_has_required_score_states(self, arg0):
7778 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
7779 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
7781 def do_get_inputs(self):
7782 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
7783 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
7785 def do_get_interactions(self):
7786 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
7787 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
7789 def do_get_contents_hash(self):
7790 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
7791 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
7794 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
7795 class _SingletonContainerAdaptor(_InputAdaptor):
7796 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
7798 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7799 __repr__ = _swig_repr
7801 def __init__(self, *args):
7803 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
7804 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
7805 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
7807 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
7809 def set_name_if_default(self, name):
7810 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
7811 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
7812 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
7815 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
7817 r"""Proxy of C++ IMP::TripletModifier class."""
7819 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7821 def __init__(self, *args):
7822 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
7823 if self.__class__ == TripletModifier:
7827 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
7829 if self.__class__ != TripletModifier:
7830 _director_objects.register(self)
7835 def apply_index(self, m, v):
7836 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
7837 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
7839 def apply_indexes(self, m, o, lower_bound, upper_bound):
7840 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7841 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7843 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7844 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)"""
7845 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7848 r"""__str__(TripletModifier self) -> std::string"""
7849 return _IMP_kernel.TripletModifier___str__(self)
7852 r"""__repr__(TripletModifier self) -> std::string"""
7853 return _IMP_kernel.TripletModifier___repr__(self)
7857 return _object_cast_to_TripletModifier(o)
7860 def do_show(self, out):
7865 return _object_cast_to_TripletModifier(o)
7867 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
7868 def __disown__(self):
7870 _IMP_kernel.disown_TripletModifier(self)
7871 return weakref.proxy(self)
7873 def do_get_inputs(self, m, pis):
7874 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7875 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
7877 def do_get_outputs(self, m, pis):
7878 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7879 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
7882 r"""do_destroy(TripletModifier self)"""
7883 return _IMP_kernel.TripletModifier_do_destroy(self)
7886 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
7888 r"""Proxy of C++ IMP::TripletScore class."""
7890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7892 def __init__(self, *args):
7893 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
7894 if self.__class__ == TripletScore:
7898 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
7900 if self.__class__ != TripletScore:
7901 _director_objects.register(self)
7906 def evaluate_index(self, m, vt, da):
7907 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
7908 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
7910 def check_indexes(self, m, pis):
7911 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7912 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
7914 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7915 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"""
7916 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7918 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7919 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"""
7920 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7922 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7923 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"""
7924 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7926 def evaluate_if_good_index(self, m, vt, da, max):
7927 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
7928 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
7930 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7931 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"""
7932 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7934 def create_current_decomposition(self, m, vt):
7935 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
7936 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
7938 def do_create_current_decomposition(self, m, vt):
7939 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
7940 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
7941 __swig_destroy__ = _IMP_kernel.delete_TripletScore
7944 r"""__str__(TripletScore self) -> std::string"""
7945 return _IMP_kernel.TripletScore___str__(self)
7948 r"""__repr__(TripletScore self) -> std::string"""
7949 return _IMP_kernel.TripletScore___repr__(self)
7953 return _object_cast_to_TripletScore(o)
7956 def do_show(self, out):
7961 return _object_cast_to_TripletScore(o)
7963 def __disown__(self):
7965 _IMP_kernel.disown_TripletScore(self)
7966 return weakref.proxy(self)
7968 def do_get_inputs(self, m, pis):
7969 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7970 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
7973 r"""do_destroy(TripletScore self)"""
7974 return _IMP_kernel.TripletScore_do_destroy(self)
7977 _IMP_kernel.TripletScore_swigregister(TripletScore)
7979 r"""Proxy of C++ IMP::TripletPredicate class."""
7981 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7983 def __init__(self, *args):
7984 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
7985 if self.__class__ == TripletPredicate:
7989 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
7991 if self.__class__ != TripletPredicate:
7992 _director_objects.register(self)
7997 def setup_for_get_value_index_in_batch(self, arg0):
7998 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
7999 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
8001 def get_value_index_in_batch(self, m, vt):
8002 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8003 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
8005 def __call__(self, m, vt):
8006 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8007 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
8009 def get_value_index(self, *args):
8011 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
8012 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
8014 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
8015 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
8018 r"""__str__(TripletPredicate self) -> std::string"""
8019 return _IMP_kernel.TripletPredicate___str__(self)
8022 r"""__repr__(TripletPredicate self) -> std::string"""
8023 return _IMP_kernel.TripletPredicate___repr__(self)
8027 return _object_cast_to_TripletPredicate(o)
8030 def do_show(self, out):
8035 return _object_cast_to_TripletPredicate(o)
8037 def __disown__(self):
8039 _IMP_kernel.disown_TripletPredicate(self)
8040 return weakref.proxy(self)
8042 def do_get_inputs(self, m, pis):
8043 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8044 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
8047 r"""do_destroy(TripletPredicate self)"""
8048 return _IMP_kernel.TripletPredicate_do_destroy(self)
8051 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
8053 r"""Proxy of C++ IMP::TripletContainer class."""
8055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8057 def apply_generic(self, m):
8058 r"""apply_generic(TripletContainer self, TripletModifier m)"""
8059 return _IMP_kernel.TripletContainer_apply_generic(self, m)
8061 def apply_generic_moved(self, m, moved_pis, reset_pis):
8062 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8063 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8065 def apply(self, sm):
8066 r"""apply(TripletContainer self, TripletModifier sm)"""
8067 return _IMP_kernel.TripletContainer_apply(self, sm)
8069 def apply_moved(self, sm, moved_pis, reset_pis):
8070 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8071 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
8073 def get_range_indexes(self):
8074 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8075 return _IMP_kernel.TripletContainer_get_range_indexes(self)
8077 def get_contents(self):
8078 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
8079 return _IMP_kernel.TripletContainer_get_contents(self)
8082 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8083 return _IMP_kernel.TripletContainer_get_indexes(self)
8085 def get(self, *args):
8087 get(TripletContainer self) -> IMP::ParticleTripletsTemp
8088 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
8090 return _IMP_kernel.TripletContainer_get(self, *args)
8092 def get_number(self):
8093 r"""get_number(TripletContainer self) -> unsigned int"""
8094 return _IMP_kernel.TripletContainer_get_number(self)
8096 def __init__(self, *args):
8098 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
8099 __init__(TripletContainer self) -> TripletContainer
8101 if self.__class__ == TripletContainer:
8105 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
8107 if self.__class__ != TripletContainer:
8108 _director_objects.register(self)
8113 def do_apply(self, sm):
8114 r"""do_apply(TripletContainer self, TripletModifier sm)"""
8115 return _IMP_kernel.TripletContainer_do_apply(self, sm)
8117 def do_apply_moved(self, sm, moved_pis, reset_pis):
8118 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8119 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8121 def do_get_provides_access(self):
8122 r"""do_get_provides_access(TripletContainer self) -> bool"""
8123 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
8124 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
8127 r"""__str__(TripletContainer self) -> std::string"""
8128 return _IMP_kernel.TripletContainer___str__(self)
8131 r"""__repr__(TripletContainer self) -> std::string"""
8132 return _IMP_kernel.TripletContainer___repr__(self)
8136 return _object_cast_to_TripletContainer(o)
8139 def do_show(self, out):
8144 return _object_cast_to_TripletContainer(o)
8146 def __disown__(self):
8148 _IMP_kernel.disown_TripletContainer(self)
8149 return weakref.proxy(self)
8152 r"""do_destroy(TripletContainer self)"""
8153 return _IMP_kernel.TripletContainer_do_destroy(self)
8155 def handle_set_has_required_score_states(self, arg0):
8156 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
8157 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
8159 def do_get_inputs(self):
8160 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
8161 return _IMP_kernel.TripletContainer_do_get_inputs(self)
8163 def do_get_interactions(self):
8164 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
8165 return _IMP_kernel.TripletContainer_do_get_interactions(self)
8167 def do_get_contents_hash(self):
8168 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
8169 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
8172 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
8173 class _TripletContainerAdaptor(_InputAdaptor):
8174 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
8176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8177 __repr__ = _swig_repr
8179 def __init__(self, *args):
8181 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
8182 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
8183 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
8185 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
8187 def set_name_if_default(self, name):
8188 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
8189 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
8190 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
8193 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
8196 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
8197 return _IMP_kernel.write_particles_to_buffer(particles, keys)
8200 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
8201 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
8204 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
8205 return _IMP_kernel.get_particles(m, ps)
8209 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
8210 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
8212 return _IMP_kernel.get_indexes(*args)
8213 class _ParticleIndexAdaptor(object):
8214 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
8216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8217 __repr__ = _swig_repr
8219 def __init__(self, *args):
8221 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
8222 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
8223 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
8225 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
8226 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
8229 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
8230 class _ParticleIndexesAdaptor(_InputAdaptor):
8231 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
8233 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8234 __repr__ = _swig_repr
8236 def __init__(self, *args):
8238 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
8239 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
8240 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
8242 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
8243 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
8246 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
8247 class _ParticleIndexPairsAdaptor(object):
8248 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
8250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8251 __repr__ = _swig_repr
8253 def __init__(self, *args):
8255 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
8256 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
8257 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
8259 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
8260 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
8263 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
8265 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
8267 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8269 def __init__(self, *args):
8271 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
8272 __init__(_ConstRestraint self) -> _ConstRestraint
8274 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
8276 def get_value(self):
8277 r"""get_value(_ConstRestraint self) -> double"""
8278 return _IMP_kernel._ConstRestraint_get_value(self)
8280 def do_create_decomposition(self):
8281 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
8282 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
8284 def do_get_inputs(self):
8285 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
8286 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
8289 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
8290 return _IMP_kernel._ConstRestraint_get_version_info(self)
8291 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
8294 r"""__str__(_ConstRestraint self) -> std::string"""
8295 return _IMP_kernel._ConstRestraint___str__(self)
8298 r"""__repr__(_ConstRestraint self) -> std::string"""
8299 return _IMP_kernel._ConstRestraint___repr__(self)
8303 return _object_cast_to__ConstRestraint(o)
8306 def _get_as_binary(self):
8307 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
8308 return _IMP_kernel._ConstRestraint__get_as_binary(self)
8310 def _set_from_binary(self, p):
8311 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
8312 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
8314 def __getstate__(self):
8315 p = self._get_as_binary()
8316 if len(self.__dict__) > 1:
8317 d = self.__dict__.copy()
8322 def __setstate__(self, p):
8323 if not hasattr(self,
'this'):
8325 if isinstance(p, tuple):
8327 self.__dict__.update(d)
8328 return self._set_from_binary(p)
8332 value = self.get_value()
8334 return self._wrap_jax(
lambda jm: value)
8338 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
8340 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
8342 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8344 def __init__(self, *args):
8346 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
8347 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
8349 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
8351 def get_value(self):
8352 r"""get_value(_ConstSingletonScore self) -> double"""
8353 return _IMP_kernel._ConstSingletonScore_get_value(self)
8355 def do_get_inputs(self, arg2, arg3):
8356 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8357 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
8359 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8360 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"""
8361 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8363 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8364 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"""
8365 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8367 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8368 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"""
8369 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8371 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8372 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"""
8373 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8376 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
8377 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
8378 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
8381 r"""__str__(_ConstSingletonScore self) -> std::string"""
8382 return _IMP_kernel._ConstSingletonScore___str__(self)
8385 r"""__repr__(_ConstSingletonScore self) -> std::string"""
8386 return _IMP_kernel._ConstSingletonScore___repr__(self)
8390 return _object_cast_to__ConstSingletonScore(o)
8393 def _get_as_binary(self):
8394 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
8395 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
8397 def _set_from_binary(self, p):
8398 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
8399 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
8401 def __getstate__(self):
8402 p = self._get_as_binary()
8403 if len(self.__dict__) > 1:
8404 d = self.__dict__.copy()
8409 def __setstate__(self, p):
8410 if not hasattr(self,
'this'):
8412 if isinstance(p, tuple):
8414 self.__dict__.update(d)
8415 return self._set_from_binary(p)
8419 value = self.get_value()
8421 return self._wrap_jax(
lambda jm, indexes: value)
8425 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
8427 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
8429 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8431 def __init__(self, *args):
8433 __init__(_ConstPairScore self, double v) -> _ConstPairScore
8434 __init__(_ConstPairScore self) -> _ConstPairScore
8436 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
8438 def get_value(self):
8439 r"""get_value(_ConstPairScore self) -> double"""
8440 return _IMP_kernel._ConstPairScore_get_value(self)
8442 def do_get_inputs(self, arg2, arg3):
8443 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8444 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
8446 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8447 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"""
8448 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8450 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8451 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"""
8452 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8454 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8455 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"""
8456 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8458 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8459 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"""
8460 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8463 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
8464 return _IMP_kernel._ConstPairScore_get_version_info(self)
8465 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
8468 r"""__str__(_ConstPairScore self) -> std::string"""
8469 return _IMP_kernel._ConstPairScore___str__(self)
8472 r"""__repr__(_ConstPairScore self) -> std::string"""
8473 return _IMP_kernel._ConstPairScore___repr__(self)
8477 return _object_cast_to__ConstPairScore(o)
8480 def _get_as_binary(self):
8481 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
8482 return _IMP_kernel._ConstPairScore__get_as_binary(self)
8484 def _set_from_binary(self, p):
8485 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
8486 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
8488 def __getstate__(self):
8489 p = self._get_as_binary()
8490 if len(self.__dict__) > 1:
8491 d = self.__dict__.copy()
8496 def __setstate__(self, p):
8497 if not hasattr(self,
'this'):
8499 if isinstance(p, tuple):
8501 self.__dict__.update(d)
8502 return self._set_from_binary(p)
8506 value = self.get_value()
8508 return self._wrap_jax(
lambda jm, indexes: value)
8512 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
8514 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
8516 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8518 def __init__(self, *args):
8520 __init__(_TrivialDecorator self) -> _TrivialDecorator
8521 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
8522 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
8524 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
8526 def show(self, *args):
8527 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
8528 return _IMP_kernel._TrivialDecorator_show(self, *args)
8531 def setup_particle(*args):
8533 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
8534 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
8536 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
8539 def get_is_setup(*args):
8541 get_is_setup(_ParticleAdaptor p) -> bool
8542 get_is_setup(Model m, ParticleIndex pi) -> bool
8544 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
8548 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
8549 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8550 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8551 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8552 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8553 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
8554 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8555 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
8556 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8557 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8558 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8559 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8561 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
8563 def get_value(self, *args):
8565 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
8566 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
8567 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
8568 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
8569 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
8570 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
8571 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
8572 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
8573 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
8574 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
8575 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8577 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
8579 def set_value(self, *args):
8581 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8582 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8583 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8584 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8585 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
8586 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8587 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
8588 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8589 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8590 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8591 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8593 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
8597 remove_attribute(_TrivialDecorator self, FloatKey a0)
8598 remove_attribute(_TrivialDecorator self, IntKey a0)
8599 remove_attribute(_TrivialDecorator self, FloatsKey a0)
8600 remove_attribute(_TrivialDecorator self, IntsKey a0)
8601 remove_attribute(_TrivialDecorator self, StringKey a0)
8602 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
8603 remove_attribute(_TrivialDecorator self, ObjectKey a0)
8604 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
8605 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
8606 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
8607 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
8609 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
8611 def has_attribute(self, *args):
8613 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
8614 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
8615 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
8616 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
8617 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
8618 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
8619 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
8620 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
8621 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
8622 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
8623 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
8625 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
8627 def get_derivative(self, a0):
8628 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
8629 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
8632 r"""get_name(_TrivialDecorator self) -> std::string"""
8633 return _IMP_kernel._TrivialDecorator_get_name(self)
8636 r"""clear_caches(_TrivialDecorator self)"""
8637 return _IMP_kernel._TrivialDecorator_clear_caches(self)
8639 def set_name(self, a0):
8640 r"""set_name(_TrivialDecorator self, std::string a0)"""
8641 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
8644 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
8645 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
8647 def add_to_derivative(self, a0, a1, a2):
8648 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8649 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
8652 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
8653 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
8655 def get_is_optimized(self, a0):
8656 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
8657 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
8659 def get_check_level(self):
8660 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
8661 return _IMP_kernel._TrivialDecorator_get_check_level(self)
8663 def __eq__(self, *args):
8665 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8666 __eq__(_TrivialDecorator self, Particle d) -> bool
8668 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
8670 def __ne__(self, *args):
8672 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8673 __ne__(_TrivialDecorator self, Particle d) -> bool
8675 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
8677 def __le__(self, *args):
8679 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8680 __le__(_TrivialDecorator self, Particle d) -> bool
8682 return _IMP_kernel._TrivialDecorator___le__(self, *args)
8684 def __lt__(self, *args):
8686 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8687 __lt__(_TrivialDecorator self, Particle d) -> bool
8689 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
8691 def __ge__(self, *args):
8693 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8694 __ge__(_TrivialDecorator self, Particle d) -> bool
8696 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
8698 def __gt__(self, *args):
8700 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8701 __gt__(_TrivialDecorator self, Particle d) -> bool
8703 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
8706 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
8707 return _IMP_kernel._TrivialDecorator___hash__(self)
8710 r"""__str__(_TrivialDecorator self) -> std::string"""
8711 return _IMP_kernel._TrivialDecorator___str__(self)
8714 r"""__repr__(_TrivialDecorator self) -> std::string"""
8715 return _IMP_kernel._TrivialDecorator___repr__(self)
8717 def _get_as_binary(self):
8718 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
8719 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
8721 def _set_from_binary(self, p):
8722 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
8723 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
8725 def __getstate__(self):
8726 p = self._get_as_binary()
8727 if len(self.__dict__) > 1:
8728 d = self.__dict__.copy()
8733 def __setstate__(self, p):
8734 if not hasattr(self,
'this'):
8736 if isinstance(p, tuple):
8738 self.__dict__.update(d)
8739 return self._set_from_binary(p)
8741 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
8744 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
8745 class _TrivialDerivedDecorator(_TrivialDecorator):
8746 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
8748 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8750 def __init__(self, *args):
8752 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
8753 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
8754 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
8756 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
8758 def show(self, *args):
8759 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
8760 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
8763 def setup_particle(*args):
8765 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
8766 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
8768 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
8771 def get_is_setup(*args):
8773 get_is_setup(_ParticleAdaptor p) -> bool
8774 get_is_setup(Model m, ParticleIndex pi) -> bool
8776 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
8780 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
8781 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8782 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8783 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8784 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8785 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8786 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8787 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8788 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8789 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8790 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8791 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8793 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
8795 def get_value(self, *args):
8797 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
8798 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
8799 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
8800 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
8801 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
8802 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
8803 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
8804 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
8805 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
8806 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
8807 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8809 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
8811 def set_value(self, *args):
8813 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8814 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8815 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8816 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8817 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8818 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8819 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8820 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8821 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8822 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8823 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8825 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
8829 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
8830 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
8831 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
8832 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
8833 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
8834 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
8835 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
8836 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
8837 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
8838 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
8839 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
8841 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
8843 def has_attribute(self, *args):
8845 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
8846 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
8847 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
8848 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
8849 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
8850 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
8851 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
8852 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
8853 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
8854 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
8855 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
8857 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
8859 def get_derivative(self, a0):
8860 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
8861 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
8864 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
8865 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
8868 r"""clear_caches(_TrivialDerivedDecorator self)"""
8869 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
8871 def set_name(self, a0):
8872 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
8873 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
8876 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
8877 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
8879 def add_to_derivative(self, a0, a1, a2):
8880 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8881 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
8884 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
8885 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
8887 def get_is_optimized(self, a0):
8888 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
8889 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
8891 def get_check_level(self):
8892 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
8893 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
8895 def __eq__(self, *args):
8897 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8898 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
8900 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
8902 def __ne__(self, *args):
8904 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8905 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
8907 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
8909 def __le__(self, *args):
8911 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8912 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
8914 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
8916 def __lt__(self, *args):
8918 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8919 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
8921 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
8923 def __ge__(self, *args):
8925 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8926 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
8928 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
8930 def __gt__(self, *args):
8932 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8933 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
8935 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
8938 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
8939 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
8942 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
8943 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
8946 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
8947 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
8949 def _get_as_binary(self):
8950 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
8951 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
8953 def _set_from_binary(self, p):
8954 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
8955 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
8957 def __getstate__(self):
8958 p = self._get_as_binary()
8959 if len(self.__dict__) > 1:
8960 d = self.__dict__.copy()
8965 def __setstate__(self, p):
8966 if not hasattr(self,
'this'):
8968 if isinstance(p, tuple):
8970 self.__dict__.update(d)
8971 return self._set_from_binary(p)
8973 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
8976 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
8977 class _TrivialTraitsDecorator(
Decorator):
8978 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
8980 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8982 def get_decorator_traits(self):
8983 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
8984 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
8987 def get_default_decorator_traits():
8988 r"""get_default_decorator_traits() -> StringKey"""
8989 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
8991 def __init__(self, *args):
8993 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
8994 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
8995 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
8997 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
8999 def show(self, *args):
9000 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
9001 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
9004 def setup_particle(*args):
9006 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9007 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9009 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
9012 def get_is_setup(*args):
9014 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
9015 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
9017 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
9020 def get_default_key():
9021 r"""get_default_key() -> StringKey"""
9022 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
9026 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
9027 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9028 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9029 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9030 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9031 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9032 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9033 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9034 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9035 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9036 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9037 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9039 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
9041 def get_value(self, *args):
9043 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
9044 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
9045 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
9046 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
9047 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
9048 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
9049 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
9050 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
9051 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
9052 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
9053 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9055 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
9057 def set_value(self, *args):
9059 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9060 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9061 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9062 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9063 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9064 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9065 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9066 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9067 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9068 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9069 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9071 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
9075 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
9076 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
9077 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
9078 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
9079 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
9080 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
9081 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
9082 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
9083 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
9084 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
9085 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
9087 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
9089 def has_attribute(self, *args):
9091 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
9092 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
9093 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
9094 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
9095 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
9096 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
9097 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
9098 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
9099 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
9100 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
9101 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
9103 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
9105 def get_derivative(self, a0):
9106 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
9107 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
9110 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
9111 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
9114 r"""clear_caches(_TrivialTraitsDecorator self)"""
9115 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
9117 def set_name(self, a0):
9118 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
9119 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
9122 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
9123 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
9125 def add_to_derivative(self, a0, a1, a2):
9126 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9127 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
9130 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
9131 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
9133 def get_is_optimized(self, a0):
9134 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
9135 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
9137 def get_check_level(self):
9138 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
9139 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
9141 def __eq__(self, *args):
9143 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9144 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
9146 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
9148 def __ne__(self, *args):
9150 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9151 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
9153 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
9155 def __le__(self, *args):
9157 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9158 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
9160 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
9162 def __lt__(self, *args):
9164 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9165 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
9167 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
9169 def __ge__(self, *args):
9171 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9172 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
9174 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
9176 def __gt__(self, *args):
9178 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9179 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
9181 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
9184 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
9185 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
9188 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
9189 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
9192 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
9193 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
9194 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
9197 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
9199 def __lshift__(*args):
9201 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
9202 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
9203 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
9205 return _IMP_kernel.__lshift__(*args)
9207 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
9209 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9211 def __init__(self, *args):
9213 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
9214 __init__(_ConstOptimizer self) -> _ConstOptimizer
9216 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
9218 def do_optimize(self, max_steps):
9219 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
9220 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
9223 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
9224 return _IMP_kernel._ConstOptimizer_get_version_info(self)
9225 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
9228 r"""__str__(_ConstOptimizer self) -> std::string"""
9229 return _IMP_kernel._ConstOptimizer___str__(self)
9232 r"""__repr__(_ConstOptimizer self) -> std::string"""
9233 return _IMP_kernel._ConstOptimizer___repr__(self)
9237 return _object_cast_to__ConstOptimizer(o)
9240 def _get_as_binary(self):
9241 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
9242 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
9244 def _set_from_binary(self, p):
9245 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
9246 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
9248 def __getstate__(self):
9249 p = self._get_as_binary()
9250 if len(self.__dict__) > 1:
9251 d = self.__dict__.copy()
9256 def __setstate__(self, p):
9257 if not hasattr(self,
'this'):
9259 if isinstance(p, tuple):
9261 self.__dict__.update(d)
9262 return self._set_from_binary(p)
9266 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
9269 r"""get_particle(Particle p) -> Particle"""
9270 return _IMP_kernel.get_particle(p)
9272 def _decorator_test(p):
9273 r"""_decorator_test(Particle p)"""
9274 return _IMP_kernel._decorator_test(p)
9276 def _overloaded_decorator(*args):
9278 _overloaded_decorator(_TrivialDecorator a) -> int
9279 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
9281 return _IMP_kernel._overloaded_decorator(*args)
9283 def _take_particles(*args):
9285 _take_particles(IMP::Particles const & ps) -> unsigned int
9286 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
9287 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
9289 return _IMP_kernel._take_particles(*args)
9291 def _give_particles(m):
9292 r"""_give_particles(Model m) -> IMP::Particles const &"""
9293 return _IMP_kernel._give_particles(m)
9295 def _pass_particles(ps):
9296 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
9297 return _IMP_kernel._pass_particles(ps)
9299 def _pass_particle(ps):
9300 r"""_pass_particle(Particle ps) -> Particle"""
9301 return _IMP_kernel._pass_particle(ps)
9303 def _pass_particle_pair(pp):
9304 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
9305 return _IMP_kernel._pass_particle_pair(pp)
9307 def _give_particles_copy(m):
9308 r"""_give_particles_copy(Model m) -> IMP::Particles"""
9309 return _IMP_kernel._give_particles_copy(m)
9311 def _pass_float_keys(input):
9312 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
9313 return _IMP_kernel._pass_float_keys(input)
9317 _pass(IMP::Particles const & p) -> IMP::Particles const
9318 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
9320 return _IMP_kernel._pass(*args)
9322 def _pass_decorators(p):
9323 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
9324 return _IMP_kernel._pass_decorators(p)
9326 def _pass_decorator_traits(p):
9327 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
9328 return _IMP_kernel._pass_decorator_traits(p)
9330 def _pass_particle_pairs(p):
9331 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
9332 return _IMP_kernel._pass_particle_pairs(p)
9334 def _pass_particle_index_pairs(p):
9335 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
9336 return _IMP_kernel._pass_particle_index_pairs(p)
9338 def _pass_model_objects(p):
9339 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
9340 return _IMP_kernel._pass_model_objects(p)
9342 def _pass_particles_temps(ps):
9343 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
9344 return _IMP_kernel._pass_particles_temps(ps)
9346 def _test_overload(*args):
9348 _test_overload(IMP::Particles const & ps) -> int
9349 _test_overload(IMP::Restraints const & ps) -> int
9351 return _IMP_kernel._test_overload(*args)
9353 def _get_range(m, k):
9354 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
9355 return _IMP_kernel._get_range(m, k)
9357 def _create_particles_from_pdb(name, m):
9358 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
9359 return _IMP_kernel._create_particles_from_pdb(name, m)
9361 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
9363 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9364 __repr__ = _swig_repr
9367 r"""__init__(_LogPairScore self) -> _LogPairScore"""
9368 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
9370 def do_get_inputs(self, arg2, arg3):
9371 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9372 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
9374 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9375 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"""
9376 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9378 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9379 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"""
9380 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9382 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9383 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"""
9384 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9386 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9387 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"""
9388 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9391 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
9392 return _IMP_kernel._LogPairScore_get_version_info(self)
9393 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
9395 def get_particle_pairs(self):
9396 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
9397 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
9400 r"""clear(_LogPairScore self)"""
9401 return _IMP_kernel._LogPairScore_clear(self)
9403 def get_contains(self, pp):
9404 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
9405 return _IMP_kernel._LogPairScore_get_contains(self, pp)
9408 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
9410 def _overloaded_particles(*args):
9412 _overloaded_particles(Particle arg1)
9413 _overloaded_particles(IMP::Particles const & arg1)
9414 _overloaded_particles(IMP::ParticlesTemp const & arg1)
9415 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
9416 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
9417 _overloaded_particles(_TrivialDecorator arg1)
9419 return _IMP_kernel._overloaded_particles(*args)
9420 class _ImplicitParticles(object):
9421 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
9423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9424 __repr__ = _swig_repr
9426 def __init__(self, *args):
9428 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
9429 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
9430 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
9431 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
9432 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
9433 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
9435 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
9436 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
9439 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
9441 def _implicit_particles(arg1):
9442 r"""_implicit_particles(_ImplicitParticles arg1)"""
9443 return _IMP_kernel._implicit_particles(arg1)
9445 def _take_particle_adaptor(pa):
9446 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
9447 return _IMP_kernel._take_particle_adaptor(pa)
9449 def _take_particle_indexes_adaptor(pa):
9450 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
9451 return _IMP_kernel._take_particle_indexes_adaptor(pa)
9453 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
9455 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9457 def __init__(self, *args):
9459 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
9460 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
9462 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
9464 def set(self, p, key, value):
9465 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
9466 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
9469 r"""reset(ScopedSetFloatAttribute self)"""
9470 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
9471 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
9473 def show(self, *args):
9474 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
9475 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
9478 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
9479 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
9482 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
9483 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
9486 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
9488 def _get_module_data_path(module, file_name):
9489 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
9490 return _IMP_kernel._get_module_data_path(module, file_name)
9492 def _get_module_example_path(module, file_name):
9493 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
9494 return _IMP_kernel._get_module_example_path(module, file_name)
9503 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
9504 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
9505 pathcomps = os.environ[
'PATH'].split(
";")
9507 if d
not in pathcomps:
9508 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
9516 """Allow command line tools to easily implement multiple commands.
9517 Typically, an IMP command line tool will use an instance of this class
9518 to provide a consistent interface to multiple distinct commands
9519 from a single binary, rather than providing a potentially large
9520 number of binaries. This is similar to the way a number of common
9521 command line tools outside of IMP function (e.g. Git provides a single
9522 `git` tool which implements multiple commands - `git add`, `git commit`,
9523 `git push` and so on).
9525 Each command is implemented with a Python module of the same name
9526 that can be imported from the module (for example, if `module_name`
9527 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
9528 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
9529 Each such module should have a docstring and a `%main()` method
9530 that takes no arguments (the module should also call its `%main()` method
9531 if it is run directly, i.e. with something like
9532 `if __name__=="__main__": %main()`). The encompassing module
9533 (`IMP.foo` in the example) should define `_all_commands` as a Python
9534 list of all valid commands.
9536 See the `multifit` and `cnmultifit` command line tools for example
9540 def __init__(self, short_help, long_help, module_name):
9542 @param short_help A few words that describe the command line tool.
9543 @param long_help Longer text, used in the `help` command.
9544 @param module_name Name of the module (e.g. `IMP.foo`) that
9545 implements the commands.
9547 self.short_help = short_help
9548 self.long_help = long_help
9549 self.module_name = module_name
9550 self._all_commands = self.import_module()._all_commands
9551 self._progname = os.path.basename(sys.argv[0])
9554 """Call this method to act upon the user-provided command line"""
9555 if len(sys.argv) <= 1:
9556 print(self.short_help +
" Use '%s help' for help." % self._progname)
9558 command = sys.argv[1]
9559 if command
in (
'help',
'--help',
'-h'):
9560 if len(sys.argv) == 3:
9561 self.show_command_help(sys.argv[2])
9564 elif command ==
'--version':
9566 elif command
in self._all_commands:
9567 self.do_command(command)
9569 self.unknown_command(command)
9571 def import_module(self, mod=None):
9572 modname = self.module_name
9574 modname +=
"." + mod
9575 return __import__(modname, {}, {}, [
''])
9577 def unknown_command(self, command):
9578 print(
"Unknown command: '%s'" % command)
9579 print(
"Use '%s help' for help." % self._progname)
9582 def _get_version(self):
9585 def show_version(self):
9586 print(self._progname +
' ' + self._get_version())
9588 def show_help(self):
9589 ver = self._get_version()
9590 print(
"%s, version %s." % (self._progname, ver))
9591 print(self.long_help +
"""
9593 This program is part of IMP, the Integrative Modeling Platform,
9595 For additional information about IMP, see <https://integrativemodeling.org>.
9597 Usage: %s <command> [options] [args]
9600 commands = self._all_commands[:] + [
'help']
9602 cmdlen = max([len(c)
for c
in commands])
9605 doc =
'Get help on using %s.' % self._progname
9607 doc = self.import_module(c).__doc__
or "<no help>"
9608 c +=
' ' * (cmdlen - len(c))
9609 print(
' ' + c +
' ' + doc)
9611 Use "%s help <command>" for detailed help on any command
9612 or "%s --version" to see the version number.""" % (self._progname,
9615 def do_command(self, command):
9616 mod = self.import_module(command)
9617 sys.argv[0] = self._progname +
' ' + command
9621 def show_command_help(self, command):
9622 if command ==
'help':
9624 elif command
in self._all_commands
or command ==
'help':
9625 mod = self.import_module(command)
9626 sys.argv = [self._progname +
' ' + command,
'--help']
9629 self.unknown_command(command)
9636 g = networkx.DiGraph()
9637 if len(ig.get_vertices()) == 0:
9646 return self.p.get_name()
9648 def __call__(self, name):
9649 return self.p.__call__(name)
9651 for vi
in ig.get_vertices():
9652 n = ig.get_vertex_name(vi)
9653 g.add_node(NodeWrapper(n))
9654 for vi
in ig.get_vertices():
9655 n = ig.get_vertex_name(vi)
9656 for ni
in ig.get_out_neighbors(vi):
9657 nn = ig.get_vertex_name(ni)
9658 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
9665 n0 = name.get_name()
9668 n1 = str(n0).replace(
'"',
'')
9669 n2 = n1.replace(
"\n",
'')
9672 from altgraph
import Graph, Dot
9673 graph = Graph.Graph()
9674 for i, v
in enumerate(g.get_vertices()):
9676 for i, v
in enumerate(g.get_vertices()):
9677 for n
in g.get_out_neighbors(v):
9678 graph.add_edge(v, n)
9679 dot = Dot.Dot(graph)
9680 for i, v
in enumerate(g.get_vertices()):
9681 dot.node_style(i, label=clean(g.get_vertex_name(v)))
9689 st = g.get_graphviz_string()
9690 with open(tfn,
"w")
as fh:
9693 print(
"running dot")
9694 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
9698 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")
9701 if platform.system() ==
"Darwin":
9704 cmd = [
"gv",
"acroread",
"xpdf"]
9707 print(
"launching viewer " + c)
9709 subprocess.check_call([c, tfon])
9715 print(
"Could not display file. It is saved at " + tfon)
9725 """Mark a Python module as deprecated.
9726 @note The `module` argument would normally be `__name__`.
9727 @see [deprecation support](@ref deprecation)."""
9729 "Module %s is deprecated. %s\n" % (module, help_message))
9732 """Python decorator to mark a class as deprecated.
9733 @see [deprecation support](@ref deprecation)."""
9735 orig_init = obj.__init__
9738 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
9739 def __init__(obj, *args, **keys):
9741 % (type(obj), help_message))
9742 orig_init(obj, *args, **keys)
9743 obj.__init__ = __init__
9748 """Python decorator to mark a method as deprecated.
9749 @see [deprecation support](@ref deprecation)."""
9750 def out_wrapper(obj):
9751 @functools.wraps(obj)
9752 def wrapper(cls, *args, **keys):
9754 % (obj.__name__, type(cls), help_message))
9755 return obj(cls, *args, **keys)
9760 """Python decorator to mark a function as deprecated.
9761 @see [deprecation support](@ref deprecation)."""
9762 def out_wrapper(obj):
9763 @functools.wraps(obj)
9764 def wrapper(*args, **keys):
9766 % (obj.__name__, help_message))
9767 return obj(*args, **keys)
9771 @contextlib.contextmanager
9773 """Context manager to temporarily allow (or disallow) deprecated code.
9774 @see [deprecation support](@ref deprecation)."""
9781 def _get_all_flags(ntokens):
9782 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
9783 return _IMP_kernel._get_all_flags(ntokens)
9785 def _print_internal_help(out, description):
9786 r"""_print_internal_help(_ostream out, std::string description)"""
9787 return _IMP_kernel._print_internal_help(out, description)
9793 class _PassThroughAction(argparse.Action):
9794 """Pass an argument through to the IMP Boost parser"""
9795 def __call__(self, parser, namespace, values, option_string=None):
9796 parser._boost_command_line.append(option_string)
9798 parser._boost_command_line.append(values)
9801 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
9802 parser._handle_boost()
9806 """IMP-specific subclass of argparse.ArgumentParser.
9807 This adds options common to all IMP applications
9808 (see IMP::setup_from_argv()).
9811 def __init__(self, *args, **kwargs):
9813 kwargs[
'add_help'] =
False
9814 super().__init__(*args, **kwargs)
9815 for ntoken
in (0, 1):
9816 flags = _get_all_flags(ntoken)
9818 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
9819 self.add_argument(*arg, help=argparse.SUPPRESS,
9820 nargs=
None if ntoken
else 0,
9821 action=_PassThroughAction,
9822 default=argparse.SUPPRESS)
9825 """Parse the command line and return optional and positional arguments.
9826 This functions in the same way as the method in the base class
9827 argparse.ArgumentParser, except that it also processes optional
9828 arguments common to all IMP applications (these are not returned
9829 in `args`, but can be obtained in the usual way, e.g. by calling
9830 IMP::get_string_flag()).
9833 self._boost_command_line = [sys.argv[0]]
9835 if len(self._boost_command_line) > 1:
9836 self._handle_boost()
9839 def _get_description(self):
9840 return self.format_help() +
"\nOptions common to all IMP applications:"
9842 def print_help(self, file=None):
9843 _print_internal_help(file
if file
else sys.stdout,
9844 self._get_description())
9846 def _handle_boost(self):
9848 self._get_description(),
9851 class RandomNumberGenerator(object):
9852 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
9854 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9855 __repr__ = _swig_repr
9858 r"""seed(RandomNumberGenerator self, int x)"""
9859 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
9862 r"""__call__(RandomNumberGenerator self) -> int"""
9863 return _IMP_kernel.RandomNumberGenerator___call__(self)
9866 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
9867 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
9868 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
9871 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
9875 get_random_float_uniform() -> float
9876 get_random_float_uniform(float min, float max) -> float
9878 return _IMP_kernel.get_random_float_uniform(*args)
9882 get_random_double_uniform() -> double
9883 get_random_double_uniform(double min, double max) -> double
9885 return _IMP_kernel.get_random_double_uniform(*args)
9887 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
9888 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
9889 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
9891 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
9892 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
9893 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
9895 def get_random_floats_uniform(n):
9896 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
9897 return _IMP_kernel.get_random_floats_uniform(n)
9899 def get_random_doubles_uniform(n):
9900 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
9901 return _IMP_kernel.get_random_doubles_uniform(n)
9904 r"""get_random_seed() -> boost::uint64_t"""
9905 return _IMP_kernel.get_random_seed()
9907 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
9908 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9909 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
9911 def _get_floats_numpy(m, k, m_pyobj, read_only):
9912 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9913 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
9915 def _get_ints_numpy(m, k, m_pyobj, read_only):
9916 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9917 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
9919 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
9920 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9921 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
9923 def _get_spheres_numpy(m, m_pyobj, read_only):
9924 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9925 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
9927 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
9928 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9929 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
9931 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
9932 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9933 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
9935 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
9936 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
9937 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
9941 ParticleIndex = numpy.intc
9946 def get_module_name():
9947 r"""get_module_name() -> std::string const"""
9948 return _IMP_kernel.get_module_name()
9951 r"""get_module_version() -> std::string const"""
9952 return _IMP_kernel.get_module_version()
9955 r"""get_example_path(std::string fname) -> std::string"""
9956 return _IMP_kernel.get_example_path(fname)
9959 r"""get_data_path(std::string fname) -> std::string"""
9960 return _IMP_kernel.get_data_path(fname)
9962 from .
import _version_check
9967 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.
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.
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.
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)
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< 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.
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)
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)
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.
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 FloatKey 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.
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.
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)
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.
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.