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()
853 if (modname ==
'IMP.core'
854 and type_name ==
'GenericBoundingBox3DSingletonScore'):
855 type_name =
'BoundingBox3DSingletonScore'
856 elif (modname ==
'IMP.core'
857 and type_name ==
'GenericAttributeSingletonScore'):
858 type_name =
'AttributeSingletonScore'
859 elif (modname ==
'IMP.core'
860 and type_name ==
'GenericBoundingSphere3DSingletonScore'):
861 type_name =
'BoundingSphere3DSingletonScore'
862 elif modname ==
'IMP' and type_name ==
'RestraintScoringFunction':
866 elif modname ==
'IMP' and type_name ==
'GenericRestraintsScoringFunction':
867 type_name =
'_RestraintsScoringFunction'
868 modobj = sys.modules[modname]
869 clsobj = getattr(modobj, type_name)
870 return clsobj.get_from(self)
874 r"""__str__(Object self) -> std::string"""
875 return _IMP_kernel.Object___str__(self)
878 r"""__repr__(Object self) -> std::string"""
879 return _IMP_kernel.Object___repr__(self)
883 return _object_cast_to_Object(o)
885 def __disown__(self):
887 _IMP_kernel.disown_Object(self)
888 return weakref.proxy(self)
891 _IMP_kernel.Object_swigregister(Object)
892 class SetLogState(_RAII):
893 r"""Proxy of C++ IMP::SetLogState class."""
895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
898 r"""reset(SetLogState self)"""
899 return _IMP_kernel.SetLogState_reset(self)
900 __swig_destroy__ = _IMP_kernel.delete_SetLogState
902 def show(self, *args):
903 r"""show(SetLogState self, _ostream out=std::cout)"""
904 return _IMP_kernel.SetLogState_show(self, *args)
906 def __init__(self, *args):
908 __init__(SetLogState self) -> SetLogState
909 __init__(SetLogState self, Object o, IMP::LogLevel l) -> SetLogState
910 __init__(SetLogState self, IMP::LogLevel l) -> SetLogState
912 _IMP_kernel.SetLogState_swiginit(self, _IMP_kernel.new_SetLogState(*args))
914 def set(self, *args):
916 set(SetLogState self, Object o, IMP::LogLevel l)
917 set(SetLogState self, IMP::LogLevel l)
919 return _IMP_kernel.SetLogState_set(self, *args)
923 def __exit__(self, exc_type, exc_val, exc_tb):
929 r"""__str__(SetLogState self) -> std::string"""
930 return _IMP_kernel.SetLogState___str__(self)
933 r"""__repr__(SetLogState self) -> std::string"""
934 return _IMP_kernel.SetLogState___repr__(self)
937 _IMP_kernel.SetLogState_swigregister(SetLogState)
938 class WarningContext(object):
939 r"""Proxy of C++ IMP::WarningContext class."""
941 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
942 data_ = property(_IMP_kernel.WarningContext_data__get, _IMP_kernel.WarningContext_data__set, doc=
r"""data_ : boost::unordered_set<(std::string)>""")
944 def add_warning(self, key, warning):
945 r"""add_warning(WarningContext self, std::string key, std::string warning)"""
946 return _IMP_kernel.WarningContext_add_warning(self, key, warning)
948 def clear_warnings(self):
949 r"""clear_warnings(WarningContext self)"""
950 return _IMP_kernel.WarningContext_clear_warnings(self)
952 def dump_warnings(self):
953 r"""dump_warnings(WarningContext self)"""
954 return _IMP_kernel.WarningContext_dump_warnings(self)
955 __swig_destroy__ = _IMP_kernel.delete_WarningContext
957 def show(self, *args):
958 r"""show(WarningContext self, _ostream out=std::cout)"""
959 return _IMP_kernel.WarningContext_show(self, *args)
963 def __exit__(self, exc_type, exc_val, exc_tb):
969 r"""__str__(WarningContext self) -> std::string"""
970 return _IMP_kernel.WarningContext___str__(self)
973 r"""__repr__(WarningContext self) -> std::string"""
974 return _IMP_kernel.WarningContext___repr__(self)
977 r"""__init__(WarningContext self) -> WarningContext"""
978 _IMP_kernel.WarningContext_swiginit(self, _IMP_kernel.new_WarningContext())
981 _IMP_kernel.WarningContext_swigregister(WarningContext)
982 class CreateLogContext(_RAII):
983 r"""Proxy of C++ IMP::CreateLogContext class."""
985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
987 def __init__(self, *args):
989 __init__(CreateLogContext self, std::string fname, Object object=None) -> CreateLogContext
990 __init__(CreateLogContext self) -> CreateLogContext
991 __init__(CreateLogContext self, char const * fname, Object object=None) -> CreateLogContext
993 _IMP_kernel.CreateLogContext_swiginit(self, _IMP_kernel.new_CreateLogContext(*args))
995 def set(self, fname, object=None):
996 r"""set(CreateLogContext self, char const * fname, Object object=None)"""
997 return _IMP_kernel.CreateLogContext_set(self, fname, object)
1000 r"""reset(CreateLogContext self)"""
1001 return _IMP_kernel.CreateLogContext_reset(self)
1002 __swig_destroy__ = _IMP_kernel.delete_CreateLogContext
1004 def show(self, *args):
1005 r"""show(CreateLogContext self, _ostream out=std::cout)"""
1006 return _IMP_kernel.CreateLogContext_show(self, *args)
1008 def __enter__(self):
1010 def __exit__(self, exc_type, exc_val, exc_tb):
1016 r"""__str__(CreateLogContext self) -> std::string"""
1017 return _IMP_kernel.CreateLogContext___str__(self)
1020 r"""__repr__(CreateLogContext self) -> std::string"""
1021 return _IMP_kernel.CreateLogContext___repr__(self)
1024 _IMP_kernel.CreateLogContext_swigregister(CreateLogContext)
1025 class SetCheckState(_RAII):
1026 r"""Proxy of C++ IMP::SetCheckState class."""
1028 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1031 r"""reset(SetCheckState self)"""
1032 return _IMP_kernel.SetCheckState_reset(self)
1033 __swig_destroy__ = _IMP_kernel.delete_SetCheckState
1035 def show(self, *args):
1036 r"""show(SetCheckState self, _ostream out=std::cout)"""
1037 return _IMP_kernel.SetCheckState_show(self, *args)
1039 def __init__(self, *args):
1041 __init__(SetCheckState self) -> SetCheckState
1042 __init__(SetCheckState self, Object o, IMP::CheckLevel l) -> SetCheckState
1043 __init__(SetCheckState self, IMP::CheckLevel l) -> SetCheckState
1045 _IMP_kernel.SetCheckState_swiginit(self, _IMP_kernel.new_SetCheckState(*args))
1047 def set(self, *args):
1049 set(SetCheckState self, Object o, IMP::CheckLevel l)
1050 set(SetCheckState self, IMP::CheckLevel l)
1052 return _IMP_kernel.SetCheckState_set(self, *args)
1054 def __enter__(self):
1056 def __exit__(self, exc_type, exc_val, exc_tb):
1062 r"""__str__(SetCheckState self) -> std::string"""
1063 return _IMP_kernel.SetCheckState___str__(self)
1066 r"""__repr__(SetCheckState self) -> std::string"""
1067 return _IMP_kernel.SetCheckState___repr__(self)
1070 _IMP_kernel.SetCheckState_swigregister(SetCheckState)
1073 r"""get_unique_name(std::string templ) -> std::string"""
1074 return _IMP_kernel.get_unique_name(templ)
1077 r"""get_copyright() -> std::string"""
1078 return _IMP_kernel.get_copyright()
1079 class _Protection(object):
1080 r"""Proxy of C++ IMP::internal::_Protection class."""
1082 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1084 def __init__(self, *args, **kwargs):
1085 raise AttributeError(
"No constructor defined")
1087 def show(self, *args):
1088 r"""show(_Protection self, _ostream out=std::cout)"""
1089 return _IMP_kernel._Protection_show(self, *args)
1092 r"""__str__(_Protection self) -> std::string"""
1093 return _IMP_kernel._Protection___str__(self)
1096 r"""__repr__(_Protection self) -> std::string"""
1097 return _IMP_kernel._Protection___repr__(self)
1098 __swig_destroy__ = _IMP_kernel.delete__Protection
1101 _IMP_kernel._Protection_swigregister(_Protection)
1105 return _IMP_kernel._test_log()
1107 def _test_intranges(ips):
1108 r"""_test_intranges(IMP::IntRanges const & ips) -> int"""
1109 return _IMP_kernel._test_intranges(ips)
1111 def _test_intrange(*args):
1113 _test_intrange(IMP::IntRange const & ips) -> IMP::IntRange
1114 _test_intrange() -> IMP::IntRange
1116 return _IMP_kernel._test_intrange(*args)
1119 r"""_test_ifile(TextInput a) -> std::string"""
1120 return _IMP_kernel._test_ifile(a)
1123 r"""_test_ofile(TextOutput a) -> std::string"""
1124 return _IMP_kernel._test_ofile(a)
1126 def _test_ifile_overloaded(*args):
1128 _test_ifile_overloaded(TextInput a, int i) -> std::string
1129 _test_ifile_overloaded(TextInput a, std::string st) -> std::string
1131 return _IMP_kernel._test_ifile_overloaded(*args)
1133 def _test_ofile_overloaded(*args):
1135 _test_ofile_overloaded(TextOutput a, int i) -> std::string
1136 _test_ofile_overloaded(TextOutput a, std::string st) -> std::string
1138 return _IMP_kernel._test_ofile_overloaded(*args)
1139 class _TestValue(object):
1140 r"""Proxy of C++ IMP::internal::_TestValue class."""
1142 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1144 def __init__(self, i):
1145 r"""__init__(_TestValue self, int i) -> _TestValue"""
1146 _IMP_kernel._TestValue_swiginit(self, _IMP_kernel.new__TestValue(i))
1148 def show(self, *args):
1149 r"""show(_TestValue self, _ostream out=std::cout)"""
1150 return _IMP_kernel._TestValue_show(self, *args)
1152 def __cmp__(self, o):
1153 r"""__cmp__(_TestValue self, _TestValue o) -> int"""
1154 return _IMP_kernel._TestValue___cmp__(self, o)
1156 def __eq__(self, o):
1157 r"""__eq__(_TestValue self, _TestValue o) -> bool"""
1158 return _IMP_kernel._TestValue___eq__(self, o)
1160 def __ne__(self, o):
1161 r"""__ne__(_TestValue self, _TestValue o) -> bool"""
1162 return _IMP_kernel._TestValue___ne__(self, o)
1164 def __lt__(self, o):
1165 r"""__lt__(_TestValue self, _TestValue o) -> bool"""
1166 return _IMP_kernel._TestValue___lt__(self, o)
1168 def __gt__(self, o):
1169 r"""__gt__(_TestValue self, _TestValue o) -> bool"""
1170 return _IMP_kernel._TestValue___gt__(self, o)
1172 def __ge__(self, o):
1173 r"""__ge__(_TestValue self, _TestValue o) -> bool"""
1174 return _IMP_kernel._TestValue___ge__(self, o)
1176 def __le__(self, o):
1177 r"""__le__(_TestValue self, _TestValue o) -> bool"""
1178 return _IMP_kernel._TestValue___le__(self, o)
1181 r"""get(_TestValue self) -> int"""
1182 return _IMP_kernel._TestValue_get(self)
1184 def get_float(self):
1185 r"""get_float(_TestValue self) -> float const &"""
1186 return _IMP_kernel._TestValue_get_float(self)
1188 def get_double(self):
1189 r"""get_double(_TestValue self) -> double const &"""
1190 return _IMP_kernel._TestValue_get_double(self)
1192 def get_Float(self):
1193 r"""get_Float(_TestValue self) -> IMP::Float const &"""
1194 return _IMP_kernel._TestValue_get_Float(self)
1197 r"""get_int(_TestValue self) -> int const &"""
1198 return _IMP_kernel._TestValue_get_int(self)
1201 r"""get_Int(_TestValue self) -> IMP::Int const &"""
1202 return _IMP_kernel._TestValue_get_Int(self)
1204 def get_string(self):
1205 r"""get_string(_TestValue self) -> std::string const &"""
1206 return _IMP_kernel._TestValue_get_string(self)
1208 def get_String(self):
1209 r"""get_String(_TestValue self) -> IMP::String const &"""
1210 return _IMP_kernel._TestValue_get_String(self)
1213 r"""__str__(_TestValue self) -> std::string"""
1214 return _IMP_kernel._TestValue___str__(self)
1217 r"""__repr__(_TestValue self) -> std::string"""
1218 return _IMP_kernel._TestValue___repr__(self)
1219 __swig_destroy__ = _IMP_kernel.delete__TestValue
1222 _IMP_kernel._TestValue_swigregister(_TestValue)
1224 def _pass_plain_pair(p):
1225 r"""_pass_plain_pair(IMP::FloatPair p) -> IMP::FloatPair"""
1226 return _IMP_kernel._pass_plain_pair(p)
1228 def _pass_overloaded_strings(*args):
1230 _pass_overloaded_strings(IMP::Strings const & a, int arg2) -> IMP::Strings
1231 _pass_overloaded_strings(IMP::Strings const & a) -> IMP::Strings
1233 return _IMP_kernel._pass_overloaded_strings(*args)
1236 r"""_pass_pair(IMP::DerivativePair const & p) -> IMP::DerivativePair"""
1237 return _IMP_kernel._pass_pair(p)
1239 def _pass_floats(input):
1240 r"""_pass_floats(IMP::Floats const & input) -> IMP::Floats"""
1241 return _IMP_kernel._pass_floats(input)
1243 def _pass_ints(input):
1244 r"""_pass_ints(IMP::Ints input) -> IMP::Ints"""
1245 return _IMP_kernel._pass_ints(input)
1247 def _pass_ints_list(input):
1248 r"""_pass_ints_list(IMP::IntsList const & input) -> IMP::IntsList"""
1249 return _IMP_kernel._pass_ints_list(input)
1251 def _pass_ints_lists(input):
1252 r"""_pass_ints_lists(IMP::IntsLists const & input) -> IMP::IntsLists"""
1253 return _IMP_kernel._pass_ints_lists(input)
1255 def _pass_strings(input):
1256 r"""_pass_strings(IMP::Strings const & input) -> IMP::Strings const &"""
1257 return _IMP_kernel._pass_strings(input)
1258 class _TestObject(
Object):
1259 r"""Proxy of C++ IMP::internal::_TestObject class."""
1261 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1264 r"""__init__(_TestObject self) -> _TestObject"""
1265 _IMP_kernel._TestObject_swiginit(self, _IMP_kernel.new__TestObject())
1268 r"""get_version_info(_TestObject self) -> VersionInfo"""
1269 return _IMP_kernel._TestObject_get_version_info(self)
1270 __swig_destroy__ = _IMP_kernel.delete__TestObject
1273 r"""__str__(_TestObject self) -> std::string"""
1274 return _IMP_kernel._TestObject___str__(self)
1277 r"""__repr__(_TestObject self) -> std::string"""
1278 return _IMP_kernel._TestObject___repr__(self)
1282 return _object_cast_to__TestObject(o)
1286 _IMP_kernel._TestObject_swigregister(_TestObject)
1289 r"""get_live_object_names() -> IMP::Strings"""
1290 return _IMP_kernel.get_live_object_names()
1293 r"""get_live_objects() -> IMP::Objects"""
1294 return _IMP_kernel.get_live_objects()
1297 r"""set_show_leaked_objects(bool tf)"""
1298 return _IMP_kernel.set_show_leaked_objects(tf)
1301 r"""set_deprecation_warnings(bool tf)"""
1302 return _IMP_kernel.set_deprecation_warnings(tf)
1305 r"""set_deprecation_exceptions(bool tf)"""
1306 return _IMP_kernel.set_deprecation_exceptions(tf)
1309 r"""get_deprecation_exceptions() -> bool"""
1310 return _IMP_kernel.get_deprecation_exceptions()
1313 r"""handle_use_deprecated(std::string message)"""
1314 return _IMP_kernel.handle_use_deprecated(message)
1317 r"""get_number_of_threads() -> unsigned int"""
1318 return _IMP_kernel.get_number_of_threads()
1321 r"""set_number_of_threads(unsigned int n)"""
1322 return _IMP_kernel.set_number_of_threads(n)
1323 class SetNumberOfThreads(_RAII):
1324 r"""Proxy of C++ IMP::SetNumberOfThreads class."""
1326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1328 def __init__(self, *args):
1330 __init__(SetNumberOfThreads self) -> SetNumberOfThreads
1331 __init__(SetNumberOfThreads self, unsigned int n) -> SetNumberOfThreads
1333 _IMP_kernel.SetNumberOfThreads_swiginit(self, _IMP_kernel.new_SetNumberOfThreads(*args))
1336 r"""set(SetNumberOfThreads self, unsigned int n)"""
1337 return _IMP_kernel.SetNumberOfThreads_set(self, n)
1340 r"""reset(SetNumberOfThreads self)"""
1341 return _IMP_kernel.SetNumberOfThreads_reset(self)
1342 __swig_destroy__ = _IMP_kernel.delete_SetNumberOfThreads
1344 def show(self, *args):
1345 r"""show(SetNumberOfThreads self, _ostream out=std::cout)"""
1346 return _IMP_kernel.SetNumberOfThreads_show(self, *args)
1348 def __enter__(self):
1350 def __exit__(self, exc_type, exc_val, exc_tb):
1356 r"""__str__(SetNumberOfThreads self) -> std::string"""
1357 return _IMP_kernel.SetNumberOfThreads___str__(self)
1360 r"""__repr__(SetNumberOfThreads self) -> std::string"""
1361 return _IMP_kernel.SetNumberOfThreads___repr__(self)
1364 _IMP_kernel.SetNumberOfThreads_swigregister(SetNumberOfThreads)
1367 i_m_p=
"IMP_MODULE_PATH"
1368 if i_m_p
in os.environ.keys():
1369 __path__.insert(0, os.environ[i_m_p])
1371 def _forward_add_attribute(self, name, value, opt=None):
1373 self.get_particle().add_attribute(name, value, opt)
1375 self.get_particle().add_attribute(name, value)
1376 def _forward_get_value(self, name):
1377 self.get_particle().get_value(name)
1378 def _forward_set_value(self, name, value):
1379 self.get_particle().set_value(name, value)
1385 _object_types.append(
"Constraint")
1388 def _object_cast_to_Constraint(o):
1389 r"""_object_cast_to_Constraint(Object o) -> Constraint"""
1390 return _IMP_kernel._object_cast_to_Constraint(o)
1392 _object_types.append(
"Undecorator")
1395 def _object_cast_to_Undecorator(o):
1396 r"""_object_cast_to_Undecorator(Object o) -> Undecorator"""
1397 return _IMP_kernel._object_cast_to_Undecorator(o)
1399 _object_types.append(
"Container")
1402 def _object_cast_to_Container(o):
1403 r"""_object_cast_to_Container(Object o) -> Container"""
1404 return _IMP_kernel._object_cast_to_Container(o)
1406 _object_types.append(
"Optimizer")
1409 def _object_cast_to_Optimizer(o):
1410 r"""_object_cast_to_Optimizer(Object o) -> Optimizer"""
1411 return _IMP_kernel._object_cast_to_Optimizer(o)
1413 _object_types.append(
"AttributeOptimizer")
1416 def _object_cast_to_AttributeOptimizer(o):
1417 r"""_object_cast_to_AttributeOptimizer(Object o) -> AttributeOptimizer"""
1418 return _IMP_kernel._object_cast_to_AttributeOptimizer(o)
1420 _object_types.append(
"OptimizerState")
1423 def _object_cast_to_OptimizerState(o):
1424 r"""_object_cast_to_OptimizerState(Object o) -> OptimizerState"""
1425 return _IMP_kernel._object_cast_to_OptimizerState(o)
1427 _object_types.append(
"PairContainer")
1430 def _object_cast_to_PairContainer(o):
1431 r"""_object_cast_to_PairContainer(Object o) -> PairContainer"""
1432 return _IMP_kernel._object_cast_to_PairContainer(o)
1434 _object_types.append(
"PairModifier")
1437 def _object_cast_to_PairModifier(o):
1438 r"""_object_cast_to_PairModifier(Object o) -> PairModifier"""
1439 return _IMP_kernel._object_cast_to_PairModifier(o)
1441 _object_types.append(
"PairScore")
1444 def _object_cast_to_PairScore(o):
1445 r"""_object_cast_to_PairScore(Object o) -> PairScore"""
1446 return _IMP_kernel._object_cast_to_PairScore(o)
1448 _object_types.append(
"QuadContainer")
1451 def _object_cast_to_QuadContainer(o):
1452 r"""_object_cast_to_QuadContainer(Object o) -> QuadContainer"""
1453 return _IMP_kernel._object_cast_to_QuadContainer(o)
1455 _object_types.append(
"QuadModifier")
1458 def _object_cast_to_QuadModifier(o):
1459 r"""_object_cast_to_QuadModifier(Object o) -> QuadModifier"""
1460 return _IMP_kernel._object_cast_to_QuadModifier(o)
1462 _object_types.append(
"QuadScore")
1465 def _object_cast_to_QuadScore(o):
1466 r"""_object_cast_to_QuadScore(Object o) -> QuadScore"""
1467 return _IMP_kernel._object_cast_to_QuadScore(o)
1469 _object_types.append(
"Refiner")
1472 def _object_cast_to_Refiner(o):
1473 r"""_object_cast_to_Refiner(Object o) -> Refiner"""
1474 return _IMP_kernel._object_cast_to_Refiner(o)
1476 _object_types.append(
"Restraint")
1479 def _object_cast_to_Restraint(o):
1480 r"""_object_cast_to_Restraint(Object o) -> Restraint"""
1481 return _IMP_kernel._object_cast_to_Restraint(o)
1483 _object_types.append(
"Sampler")
1486 def _object_cast_to_Sampler(o):
1487 r"""_object_cast_to_Sampler(Object o) -> Sampler"""
1488 return _IMP_kernel._object_cast_to_Sampler(o)
1490 _object_types.append(
"ScoreState")
1493 def _object_cast_to_ScoreState(o):
1494 r"""_object_cast_to_ScoreState(Object o) -> ScoreState"""
1495 return _IMP_kernel._object_cast_to_ScoreState(o)
1497 _object_types.append(
"SingletonContainer")
1500 def _object_cast_to_SingletonContainer(o):
1501 r"""_object_cast_to_SingletonContainer(Object o) -> SingletonContainer"""
1502 return _IMP_kernel._object_cast_to_SingletonContainer(o)
1504 _object_types.append(
"SingletonModifier")
1507 def _object_cast_to_SingletonModifier(o):
1508 r"""_object_cast_to_SingletonModifier(Object o) -> SingletonModifier"""
1509 return _IMP_kernel._object_cast_to_SingletonModifier(o)
1511 _object_types.append(
"SingletonScore")
1514 def _object_cast_to_SingletonScore(o):
1515 r"""_object_cast_to_SingletonScore(Object o) -> SingletonScore"""
1516 return _IMP_kernel._object_cast_to_SingletonScore(o)
1518 _object_types.append(
"TripletContainer")
1521 def _object_cast_to_TripletContainer(o):
1522 r"""_object_cast_to_TripletContainer(Object o) -> TripletContainer"""
1523 return _IMP_kernel._object_cast_to_TripletContainer(o)
1525 _object_types.append(
"TripletModifier")
1528 def _object_cast_to_TripletModifier(o):
1529 r"""_object_cast_to_TripletModifier(Object o) -> TripletModifier"""
1530 return _IMP_kernel._object_cast_to_TripletModifier(o)
1532 _object_types.append(
"TripletScore")
1535 def _object_cast_to_TripletScore(o):
1536 r"""_object_cast_to_TripletScore(Object o) -> TripletScore"""
1537 return _IMP_kernel._object_cast_to_TripletScore(o)
1539 _object_types.append(
"UnaryFunction")
1542 def _object_cast_to_UnaryFunction(o):
1543 r"""_object_cast_to_UnaryFunction(Object o) -> UnaryFunction"""
1544 return _IMP_kernel._object_cast_to_UnaryFunction(o)
1546 _object_types.append(
"RestraintInfo")
1549 def _object_cast_to_RestraintInfo(o):
1550 r"""_object_cast_to_RestraintInfo(Object o) -> RestraintInfo"""
1551 return _IMP_kernel._object_cast_to_RestraintInfo(o)
1553 _object_types.append(
"ConfigurationSet")
1556 def _object_cast_to_ConfigurationSet(o):
1557 r"""_object_cast_to_ConfigurationSet(Object o) -> ConfigurationSet"""
1558 return _IMP_kernel._object_cast_to_ConfigurationSet(o)
1560 _object_types.append(
"Configuration")
1563 def _object_cast_to_Configuration(o):
1564 r"""_object_cast_to_Configuration(Object o) -> Configuration"""
1565 return _IMP_kernel._object_cast_to_Configuration(o)
1567 _object_types.append(
"Model")
1570 def _object_cast_to_Model(o):
1571 r"""_object_cast_to_Model(Object o) -> Model"""
1572 return _IMP_kernel._object_cast_to_Model(o)
1574 _object_types.append(
"Particle")
1577 def _object_cast_to_Particle(o):
1578 r"""_object_cast_to_Particle(Object o) -> Particle"""
1579 return _IMP_kernel._object_cast_to_Particle(o)
1581 _object_types.append(
"RestraintSet")
1584 def _object_cast_to_RestraintSet(o):
1585 r"""_object_cast_to_RestraintSet(Object o) -> RestraintSet"""
1586 return _IMP_kernel._object_cast_to_RestraintSet(o)
1588 ParticlePairsTemp=list
1589 _plural_types.append(
"ParticlePairsTemp")
1590 _value_types.append(
"ParticlePair")
1593 ParticleTripletsTemp=list
1594 _plural_types.append(
"ParticleTripletsTemp")
1595 _value_types.append(
"ParticleTriplet")
1598 ParticleQuadsTemp=list
1599 _plural_types.append(
"ParticleQuadsTemp")
1600 _value_types.append(
"ParticleQuad")
1603 ParticleIndexPairs=list
1604 _plural_types.append(
"ParticleIndexPairs")
1605 _value_types.append(
"ParticleIndexPair")
1608 ParticleIndexTriplets=list
1609 _plural_types.append(
"ParticleIndexTriplets")
1610 _value_types.append(
"ParticleIndexTriplet")
1613 ParticleIndexQuads=list
1614 _plural_types.append(
"ParticleIndexQuads")
1615 _value_types.append(
"ParticleIndexQuad")
1618 _object_types.append(
"SingletonPredicate")
1621 def _object_cast_to_SingletonPredicate(o):
1622 r"""_object_cast_to_SingletonPredicate(Object o) -> SingletonPredicate"""
1623 return _IMP_kernel._object_cast_to_SingletonPredicate(o)
1625 _object_types.append(
"PairPredicate")
1628 def _object_cast_to_PairPredicate(o):
1629 r"""_object_cast_to_PairPredicate(Object o) -> PairPredicate"""
1630 return _IMP_kernel._object_cast_to_PairPredicate(o)
1632 _object_types.append(
"TripletPredicate")
1635 def _object_cast_to_TripletPredicate(o):
1636 r"""_object_cast_to_TripletPredicate(Object o) -> TripletPredicate"""
1637 return _IMP_kernel._object_cast_to_TripletPredicate(o)
1639 _object_types.append(
"QuadPredicate")
1642 def _object_cast_to_QuadPredicate(o):
1643 r"""_object_cast_to_QuadPredicate(Object o) -> QuadPredicate"""
1644 return _IMP_kernel._object_cast_to_QuadPredicate(o)
1646 _object_types.append(
"SaveToConfigurationSetOptimizerState")
1649 def _object_cast_to_SaveToConfigurationSetOptimizerState(o):
1650 r"""_object_cast_to_SaveToConfigurationSetOptimizerState(Object o) -> SaveToConfigurationSetOptimizerState"""
1651 return _IMP_kernel._object_cast_to_SaveToConfigurationSetOptimizerState(o)
1653 EvaluationStates=list
1654 _plural_types.append(
"EvaluationStates")
1655 _value_types.append(
"EvaluationState")
1658 ScoreAccumulators=list
1659 _plural_types.append(
"ScoreAccumulators")
1660 _value_types.append(
"ScoreAccumulator")
1663 ParticleIndexes=list
1664 _plural_types.append(
"ParticleIndexes")
1665 _value_types.append(
"ParticleIndex")
1669 _plural_types.append(
"FloatIndexes")
1670 _value_types.append(
"FloatIndex")
1674 _plural_types.append(
"FloatKeys")
1675 _value_types.append(
"FloatKey")
1679 _plural_types.append(
"FloatsKeys")
1680 _value_types.append(
"FloatsKey")
1684 _plural_types.append(
"IntKeys")
1685 _value_types.append(
"IntKey")
1689 _plural_types.append(
"IntsKeys")
1690 _value_types.append(
"IntsKey")
1694 _plural_types.append(
"StringKeys")
1695 _value_types.append(
"StringKey")
1698 ParticleIndexKeys=list
1699 _plural_types.append(
"ParticleIndexKeys")
1700 _value_types.append(
"ParticleIndexKey")
1703 ParticleIndexesKeys=list
1704 _plural_types.append(
"ParticleIndexesKeys")
1705 _value_types.append(
"ParticleIndexesKey")
1709 _plural_types.append(
"ObjectKeys")
1710 _value_types.append(
"ObjectKey")
1714 _plural_types.append(
"ModelKeys")
1715 _value_types.append(
"ModelKey")
1719 _plural_types.append(
"TriggerKeys")
1720 _value_types.append(
"TriggerKey")
1723 SparseFloatKeys=list
1724 _plural_types.append(
"SparseFloatKeys")
1725 _value_types.append(
"SparseFloatKey")
1729 _plural_types.append(
"SparseIntKeys")
1730 _value_types.append(
"SparseIntKey")
1733 SparseStringKeys=list
1734 _plural_types.append(
"SparseStringKeys")
1735 _value_types.append(
"SparseStringKey")
1738 SparseParticleIndexKeys=list
1739 _plural_types.append(
"SparseParticleIndexKeys")
1740 _value_types.append(
"SparseParticleIndexKey")
1744 _plural_types.append(
"Vector3DKeys")
1745 _value_types.append(
"Vector3DKey")
1748 _raii_types.append(
"ScopedSetFloatAttribute")
1751 _object_types.append(
"ScoringFunction")
1754 def _object_cast_to_ScoringFunction(o):
1755 r"""_object_cast_to_ScoringFunction(Object o) -> ScoringFunction"""
1756 return _IMP_kernel._object_cast_to_ScoringFunction(o)
1758 _object_types.append(
"ModelObject")
1761 def _object_cast_to_ModelObject(o):
1762 r"""_object_cast_to_ModelObject(Object o) -> ModelObject"""
1763 return _IMP_kernel._object_cast_to_ModelObject(o)
1765 _object_types.append(
"_RestraintsScoringFunction")
1768 def _object_cast_to__RestraintsScoringFunction(o):
1769 r"""_object_cast_to__RestraintsScoringFunction(Object o) -> _RestraintsScoringFunction"""
1770 return _IMP_kernel._object_cast_to__RestraintsScoringFunction(o)
1772 def _TrivialDecorators(l=[]):
1773 return [_TrivialDecorator(x)
for x
in l]
1774 _plural_types.append(
"_TrivialDecorators")
1777 _value_types.append(
"_TrivialDecorator")
1780 def _TrivialDerivedDecorators(l=[]):
1781 return [_TrivialDerivedDecorator(x)
for x
in l]
1782 _plural_types.append(
"_TrivialDerivedDecorators")
1785 _value_types.append(
"_TrivialDerivedDecorator")
1788 def _TrivialTraitsDecorators(l=[]):
1789 return [_TrivialTraitsDecorator(x)
for x
in l]
1790 _plural_types.append(
"_TrivialTraitsDecorators")
1793 _value_types.append(
"_TrivialTraitsDecorator")
1796 _object_types.append(
"_ConstRestraint")
1799 def _object_cast_to__ConstRestraint(o):
1800 r"""_object_cast_to__ConstRestraint(Object o) -> _ConstRestraint"""
1801 return _IMP_kernel._object_cast_to__ConstRestraint(o)
1803 _object_types.append(
"_ConstOptimizer")
1806 def _object_cast_to__ConstOptimizer(o):
1807 r"""_object_cast_to__ConstOptimizer(Object o) -> _ConstOptimizer"""
1808 return _IMP_kernel._object_cast_to__ConstOptimizer(o)
1810 _object_types.append(
"_ConstSingletonScore")
1813 def _object_cast_to__ConstSingletonScore(o):
1814 r"""_object_cast_to__ConstSingletonScore(Object o) -> _ConstSingletonScore"""
1815 return _IMP_kernel._object_cast_to__ConstSingletonScore(o)
1817 _object_types.append(
"_ConstPairScore")
1820 def _object_cast_to__ConstPairScore(o):
1821 r"""_object_cast_to__ConstPairScore(Object o) -> _ConstPairScore"""
1822 return _IMP_kernel._object_cast_to__ConstPairScore(o)
1824 r"""Proxy of C++ IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex > class."""
1826 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1827 __repr__ = _swig_repr
1830 r"""__init__(DependencyGraph self) -> DependencyGraph"""
1831 _IMP_kernel.DependencyGraph_swiginit(self, _IMP_kernel.new_DependencyGraph())
1833 def get_graph(self):
1834 r"""get_graph(DependencyGraph self) -> IMP::DependencyGraph const &"""
1835 return _IMP_kernel.DependencyGraph_get_graph(self)
1838 r"""get_vertices(DependencyGraph self) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptors"""
1839 return _IMP_kernel.DependencyGraph_get_vertices(self)
1841 def get_vertex_name(self, i):
1842 r"""get_vertex_name(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor i) -> ModelObject"""
1843 return _IMP_kernel.DependencyGraph_get_vertex_name(self, i)
1845 def get_in_neighbors(self, v):
1846 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"""
1847 return _IMP_kernel.DependencyGraph_get_in_neighbors(self, v)
1849 def get_out_neighbors(self, v):
1850 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"""
1851 return _IMP_kernel.DependencyGraph_get_out_neighbors(self, v)
1854 r"""show_graphviz(DependencyGraph self, _ostream out=std::cout)"""
1855 return _IMP_kernel.DependencyGraph_show_graphviz(self, *args)
1857 def get_graphviz_string(self):
1858 r"""get_graphviz_string(DependencyGraph self) -> std::string"""
1859 return _IMP_kernel.DependencyGraph_get_graphviz_string(self)
1861 def add_edge(self, v0, v1):
1862 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)"""
1863 return _IMP_kernel.DependencyGraph_add_edge(self, v0, v1)
1865 def add_vertex(self, l):
1866 r"""add_vertex(DependencyGraph self, ModelObject l) -> IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor"""
1867 return _IMP_kernel.DependencyGraph_add_vertex(self, l)
1869 def remove_vertex(self, l):
1870 r"""remove_vertex(DependencyGraph self, IMP::internal::BoostDigraph< IMP::DependencyGraph,IMP::ModelObject *,IMP::ShowDependencyGraphVertex >::VertexDescriptor l)"""
1871 return _IMP_kernel.DependencyGraph_remove_vertex(self, l)
1872 __swig_destroy__ = _IMP_kernel.delete_DependencyGraph
1875 _IMP_kernel.DependencyGraph_swigregister(DependencyGraph)
1877 _value_types.append(
"DependencyGraph")
1880 r"""Proxy of C++ IMP::Key< 0 > class."""
1882 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1884 def __init__(self, *args):
1886 __init__(FloatKey self) -> FloatKey
1887 __init__(FloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatKey
1888 __init__(FloatKey self, unsigned int i) -> FloatKey
1890 _IMP_kernel.FloatKey_swiginit(self, _IMP_kernel.new_FloatKey(*args))
1894 r"""add_key(std::string sc) -> unsigned int"""
1895 return _IMP_kernel.FloatKey_add_key(sc)
1898 def get_key_exists(sc):
1899 r"""get_key_exists(std::string sc) -> bool"""
1900 return _IMP_kernel.FloatKey_get_key_exists(sc)
1902 def get_string(self):
1903 r"""get_string(FloatKey self) -> std::string const"""
1904 return _IMP_kernel.FloatKey_get_string(self)
1906 def __cmp__(self, o):
1907 r"""__cmp__(FloatKey self, FloatKey o) -> int"""
1908 return _IMP_kernel.FloatKey___cmp__(self, o)
1910 def __eq__(self, o):
1911 r"""__eq__(FloatKey self, FloatKey o) -> bool"""
1912 return _IMP_kernel.FloatKey___eq__(self, o)
1914 def __ne__(self, o):
1915 r"""__ne__(FloatKey self, FloatKey o) -> bool"""
1916 return _IMP_kernel.FloatKey___ne__(self, o)
1918 def __lt__(self, o):
1919 r"""__lt__(FloatKey self, FloatKey o) -> bool"""
1920 return _IMP_kernel.FloatKey___lt__(self, o)
1922 def __gt__(self, o):
1923 r"""__gt__(FloatKey self, FloatKey o) -> bool"""
1924 return _IMP_kernel.FloatKey___gt__(self, o)
1926 def __ge__(self, o):
1927 r"""__ge__(FloatKey self, FloatKey o) -> bool"""
1928 return _IMP_kernel.FloatKey___ge__(self, o)
1930 def __le__(self, o):
1931 r"""__le__(FloatKey self, FloatKey o) -> bool"""
1932 return _IMP_kernel.FloatKey___le__(self, o)
1935 r"""__hash__(FloatKey self) -> std::size_t"""
1936 return _IMP_kernel.FloatKey___hash__(self)
1938 def show(self, *args):
1939 r"""show(FloatKey self, _ostream out=std::cout)"""
1940 return _IMP_kernel.FloatKey_show(self, *args)
1943 def add_alias(old_key, new_name):
1944 r"""add_alias(FloatKey old_key, std::string new_name) -> FloatKey"""
1945 return _IMP_kernel.FloatKey_add_alias(old_key, new_name)
1948 def get_number_of_keys():
1949 r"""get_number_of_keys() -> unsigned int"""
1950 return _IMP_kernel.FloatKey_get_number_of_keys()
1953 r"""get_index(FloatKey self) -> unsigned int"""
1954 return _IMP_kernel.FloatKey_get_index(self)
1958 r"""show_all(_ostream out)"""
1959 return _IMP_kernel.FloatKey_show_all(out)
1962 def get_all_strings():
1963 r"""get_all_strings() -> IMP::Vector< std::string >"""
1964 return _IMP_kernel.FloatKey_get_all_strings()
1967 def get_number_unique():
1968 r"""get_number_unique() -> unsigned int"""
1969 return _IMP_kernel.FloatKey_get_number_unique()
1972 r"""__str__(FloatKey self) -> std::string"""
1973 return _IMP_kernel.FloatKey___str__(self)
1976 r"""__repr__(FloatKey self) -> std::string"""
1977 return _IMP_kernel.FloatKey___repr__(self)
1978 __swig_destroy__ = _IMP_kernel.delete_FloatKey
1981 _IMP_kernel.FloatKey_swigregister(FloatKey)
1983 r"""Proxy of C++ IMP::Key< 1 > class."""
1985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1987 def __init__(self, *args):
1989 __init__(IntKey self) -> IntKey
1990 __init__(IntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntKey
1991 __init__(IntKey self, unsigned int i) -> IntKey
1993 _IMP_kernel.IntKey_swiginit(self, _IMP_kernel.new_IntKey(*args))
1997 r"""add_key(std::string sc) -> unsigned int"""
1998 return _IMP_kernel.IntKey_add_key(sc)
2001 def get_key_exists(sc):
2002 r"""get_key_exists(std::string sc) -> bool"""
2003 return _IMP_kernel.IntKey_get_key_exists(sc)
2005 def get_string(self):
2006 r"""get_string(IntKey self) -> std::string const"""
2007 return _IMP_kernel.IntKey_get_string(self)
2009 def __cmp__(self, o):
2010 r"""__cmp__(IntKey self, IntKey o) -> int"""
2011 return _IMP_kernel.IntKey___cmp__(self, o)
2013 def __eq__(self, o):
2014 r"""__eq__(IntKey self, IntKey o) -> bool"""
2015 return _IMP_kernel.IntKey___eq__(self, o)
2017 def __ne__(self, o):
2018 r"""__ne__(IntKey self, IntKey o) -> bool"""
2019 return _IMP_kernel.IntKey___ne__(self, o)
2021 def __lt__(self, o):
2022 r"""__lt__(IntKey self, IntKey o) -> bool"""
2023 return _IMP_kernel.IntKey___lt__(self, o)
2025 def __gt__(self, o):
2026 r"""__gt__(IntKey self, IntKey o) -> bool"""
2027 return _IMP_kernel.IntKey___gt__(self, o)
2029 def __ge__(self, o):
2030 r"""__ge__(IntKey self, IntKey o) -> bool"""
2031 return _IMP_kernel.IntKey___ge__(self, o)
2033 def __le__(self, o):
2034 r"""__le__(IntKey self, IntKey o) -> bool"""
2035 return _IMP_kernel.IntKey___le__(self, o)
2038 r"""__hash__(IntKey self) -> std::size_t"""
2039 return _IMP_kernel.IntKey___hash__(self)
2041 def show(self, *args):
2042 r"""show(IntKey self, _ostream out=std::cout)"""
2043 return _IMP_kernel.IntKey_show(self, *args)
2046 def add_alias(old_key, new_name):
2047 r"""add_alias(IntKey old_key, std::string new_name) -> IntKey"""
2048 return _IMP_kernel.IntKey_add_alias(old_key, new_name)
2051 def get_number_of_keys():
2052 r"""get_number_of_keys() -> unsigned int"""
2053 return _IMP_kernel.IntKey_get_number_of_keys()
2056 r"""get_index(IntKey self) -> unsigned int"""
2057 return _IMP_kernel.IntKey_get_index(self)
2061 r"""show_all(_ostream out)"""
2062 return _IMP_kernel.IntKey_show_all(out)
2065 def get_all_strings():
2066 r"""get_all_strings() -> IMP::Vector< std::string >"""
2067 return _IMP_kernel.IntKey_get_all_strings()
2070 def get_number_unique():
2071 r"""get_number_unique() -> unsigned int"""
2072 return _IMP_kernel.IntKey_get_number_unique()
2075 r"""__str__(IntKey self) -> std::string"""
2076 return _IMP_kernel.IntKey___str__(self)
2079 r"""__repr__(IntKey self) -> std::string"""
2080 return _IMP_kernel.IntKey___repr__(self)
2081 __swig_destroy__ = _IMP_kernel.delete_IntKey
2084 _IMP_kernel.IntKey_swigregister(IntKey)
2086 r"""Proxy of C++ IMP::Key< 2 > class."""
2088 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2090 def __init__(self, *args):
2092 __init__(StringKey self) -> StringKey
2093 __init__(StringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> StringKey
2094 __init__(StringKey self, unsigned int i) -> StringKey
2096 _IMP_kernel.StringKey_swiginit(self, _IMP_kernel.new_StringKey(*args))
2100 r"""add_key(std::string sc) -> unsigned int"""
2101 return _IMP_kernel.StringKey_add_key(sc)
2104 def get_key_exists(sc):
2105 r"""get_key_exists(std::string sc) -> bool"""
2106 return _IMP_kernel.StringKey_get_key_exists(sc)
2108 def get_string(self):
2109 r"""get_string(StringKey self) -> std::string const"""
2110 return _IMP_kernel.StringKey_get_string(self)
2112 def __cmp__(self, o):
2113 r"""__cmp__(StringKey self, StringKey o) -> int"""
2114 return _IMP_kernel.StringKey___cmp__(self, o)
2116 def __eq__(self, o):
2117 r"""__eq__(StringKey self, StringKey o) -> bool"""
2118 return _IMP_kernel.StringKey___eq__(self, o)
2120 def __ne__(self, o):
2121 r"""__ne__(StringKey self, StringKey o) -> bool"""
2122 return _IMP_kernel.StringKey___ne__(self, o)
2124 def __lt__(self, o):
2125 r"""__lt__(StringKey self, StringKey o) -> bool"""
2126 return _IMP_kernel.StringKey___lt__(self, o)
2128 def __gt__(self, o):
2129 r"""__gt__(StringKey self, StringKey o) -> bool"""
2130 return _IMP_kernel.StringKey___gt__(self, o)
2132 def __ge__(self, o):
2133 r"""__ge__(StringKey self, StringKey o) -> bool"""
2134 return _IMP_kernel.StringKey___ge__(self, o)
2136 def __le__(self, o):
2137 r"""__le__(StringKey self, StringKey o) -> bool"""
2138 return _IMP_kernel.StringKey___le__(self, o)
2141 r"""__hash__(StringKey self) -> std::size_t"""
2142 return _IMP_kernel.StringKey___hash__(self)
2144 def show(self, *args):
2145 r"""show(StringKey self, _ostream out=std::cout)"""
2146 return _IMP_kernel.StringKey_show(self, *args)
2149 def add_alias(old_key, new_name):
2150 r"""add_alias(StringKey old_key, std::string new_name) -> StringKey"""
2151 return _IMP_kernel.StringKey_add_alias(old_key, new_name)
2154 def get_number_of_keys():
2155 r"""get_number_of_keys() -> unsigned int"""
2156 return _IMP_kernel.StringKey_get_number_of_keys()
2159 r"""get_index(StringKey self) -> unsigned int"""
2160 return _IMP_kernel.StringKey_get_index(self)
2164 r"""show_all(_ostream out)"""
2165 return _IMP_kernel.StringKey_show_all(out)
2168 def get_all_strings():
2169 r"""get_all_strings() -> IMP::Vector< std::string >"""
2170 return _IMP_kernel.StringKey_get_all_strings()
2173 def get_number_unique():
2174 r"""get_number_unique() -> unsigned int"""
2175 return _IMP_kernel.StringKey_get_number_unique()
2178 r"""__str__(StringKey self) -> std::string"""
2179 return _IMP_kernel.StringKey___str__(self)
2182 r"""__repr__(StringKey self) -> std::string"""
2183 return _IMP_kernel.StringKey___repr__(self)
2184 __swig_destroy__ = _IMP_kernel.delete_StringKey
2187 _IMP_kernel.StringKey_swigregister(StringKey)
2189 r"""Proxy of C++ IMP::Key< 3 > class."""
2191 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2193 def __init__(self, *args):
2195 __init__(ParticleIndexKey self) -> ParticleIndexKey
2196 __init__(ParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexKey
2197 __init__(ParticleIndexKey self, unsigned int i) -> ParticleIndexKey
2199 _IMP_kernel.ParticleIndexKey_swiginit(self, _IMP_kernel.new_ParticleIndexKey(*args))
2203 r"""add_key(std::string sc) -> unsigned int"""
2204 return _IMP_kernel.ParticleIndexKey_add_key(sc)
2207 def get_key_exists(sc):
2208 r"""get_key_exists(std::string sc) -> bool"""
2209 return _IMP_kernel.ParticleIndexKey_get_key_exists(sc)
2211 def get_string(self):
2212 r"""get_string(ParticleIndexKey self) -> std::string const"""
2213 return _IMP_kernel.ParticleIndexKey_get_string(self)
2215 def __cmp__(self, o):
2216 r"""__cmp__(ParticleIndexKey self, ParticleIndexKey o) -> int"""
2217 return _IMP_kernel.ParticleIndexKey___cmp__(self, o)
2219 def __eq__(self, o):
2220 r"""__eq__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2221 return _IMP_kernel.ParticleIndexKey___eq__(self, o)
2223 def __ne__(self, o):
2224 r"""__ne__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2225 return _IMP_kernel.ParticleIndexKey___ne__(self, o)
2227 def __lt__(self, o):
2228 r"""__lt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2229 return _IMP_kernel.ParticleIndexKey___lt__(self, o)
2231 def __gt__(self, o):
2232 r"""__gt__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2233 return _IMP_kernel.ParticleIndexKey___gt__(self, o)
2235 def __ge__(self, o):
2236 r"""__ge__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2237 return _IMP_kernel.ParticleIndexKey___ge__(self, o)
2239 def __le__(self, o):
2240 r"""__le__(ParticleIndexKey self, ParticleIndexKey o) -> bool"""
2241 return _IMP_kernel.ParticleIndexKey___le__(self, o)
2244 r"""__hash__(ParticleIndexKey self) -> std::size_t"""
2245 return _IMP_kernel.ParticleIndexKey___hash__(self)
2247 def show(self, *args):
2248 r"""show(ParticleIndexKey self, _ostream out=std::cout)"""
2249 return _IMP_kernel.ParticleIndexKey_show(self, *args)
2252 def add_alias(old_key, new_name):
2253 r"""add_alias(ParticleIndexKey old_key, std::string new_name) -> ParticleIndexKey"""
2254 return _IMP_kernel.ParticleIndexKey_add_alias(old_key, new_name)
2257 def get_number_of_keys():
2258 r"""get_number_of_keys() -> unsigned int"""
2259 return _IMP_kernel.ParticleIndexKey_get_number_of_keys()
2262 r"""get_index(ParticleIndexKey self) -> unsigned int"""
2263 return _IMP_kernel.ParticleIndexKey_get_index(self)
2267 r"""show_all(_ostream out)"""
2268 return _IMP_kernel.ParticleIndexKey_show_all(out)
2271 def get_all_strings():
2272 r"""get_all_strings() -> IMP::Vector< std::string >"""
2273 return _IMP_kernel.ParticleIndexKey_get_all_strings()
2276 def get_number_unique():
2277 r"""get_number_unique() -> unsigned int"""
2278 return _IMP_kernel.ParticleIndexKey_get_number_unique()
2281 r"""__str__(ParticleIndexKey self) -> std::string"""
2282 return _IMP_kernel.ParticleIndexKey___str__(self)
2285 r"""__repr__(ParticleIndexKey self) -> std::string"""
2286 return _IMP_kernel.ParticleIndexKey___repr__(self)
2287 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexKey
2290 _IMP_kernel.ParticleIndexKey_swigregister(ParticleIndexKey)
2292 r"""Proxy of C++ IMP::Key< 4 > class."""
2294 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2296 def __init__(self, *args):
2298 __init__(ObjectKey self) -> ObjectKey
2299 __init__(ObjectKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ObjectKey
2300 __init__(ObjectKey self, unsigned int i) -> ObjectKey
2302 _IMP_kernel.ObjectKey_swiginit(self, _IMP_kernel.new_ObjectKey(*args))
2306 r"""add_key(std::string sc) -> unsigned int"""
2307 return _IMP_kernel.ObjectKey_add_key(sc)
2310 def get_key_exists(sc):
2311 r"""get_key_exists(std::string sc) -> bool"""
2312 return _IMP_kernel.ObjectKey_get_key_exists(sc)
2314 def get_string(self):
2315 r"""get_string(ObjectKey self) -> std::string const"""
2316 return _IMP_kernel.ObjectKey_get_string(self)
2318 def __cmp__(self, o):
2319 r"""__cmp__(ObjectKey self, ObjectKey o) -> int"""
2320 return _IMP_kernel.ObjectKey___cmp__(self, o)
2322 def __eq__(self, o):
2323 r"""__eq__(ObjectKey self, ObjectKey o) -> bool"""
2324 return _IMP_kernel.ObjectKey___eq__(self, o)
2326 def __ne__(self, o):
2327 r"""__ne__(ObjectKey self, ObjectKey o) -> bool"""
2328 return _IMP_kernel.ObjectKey___ne__(self, o)
2330 def __lt__(self, o):
2331 r"""__lt__(ObjectKey self, ObjectKey o) -> bool"""
2332 return _IMP_kernel.ObjectKey___lt__(self, o)
2334 def __gt__(self, o):
2335 r"""__gt__(ObjectKey self, ObjectKey o) -> bool"""
2336 return _IMP_kernel.ObjectKey___gt__(self, o)
2338 def __ge__(self, o):
2339 r"""__ge__(ObjectKey self, ObjectKey o) -> bool"""
2340 return _IMP_kernel.ObjectKey___ge__(self, o)
2342 def __le__(self, o):
2343 r"""__le__(ObjectKey self, ObjectKey o) -> bool"""
2344 return _IMP_kernel.ObjectKey___le__(self, o)
2347 r"""__hash__(ObjectKey self) -> std::size_t"""
2348 return _IMP_kernel.ObjectKey___hash__(self)
2350 def show(self, *args):
2351 r"""show(ObjectKey self, _ostream out=std::cout)"""
2352 return _IMP_kernel.ObjectKey_show(self, *args)
2355 def add_alias(old_key, new_name):
2356 r"""add_alias(ObjectKey old_key, std::string new_name) -> ObjectKey"""
2357 return _IMP_kernel.ObjectKey_add_alias(old_key, new_name)
2360 def get_number_of_keys():
2361 r"""get_number_of_keys() -> unsigned int"""
2362 return _IMP_kernel.ObjectKey_get_number_of_keys()
2365 r"""get_index(ObjectKey self) -> unsigned int"""
2366 return _IMP_kernel.ObjectKey_get_index(self)
2370 r"""show_all(_ostream out)"""
2371 return _IMP_kernel.ObjectKey_show_all(out)
2374 def get_all_strings():
2375 r"""get_all_strings() -> IMP::Vector< std::string >"""
2376 return _IMP_kernel.ObjectKey_get_all_strings()
2379 def get_number_unique():
2380 r"""get_number_unique() -> unsigned int"""
2381 return _IMP_kernel.ObjectKey_get_number_unique()
2384 r"""__str__(ObjectKey self) -> std::string"""
2385 return _IMP_kernel.ObjectKey___str__(self)
2388 r"""__repr__(ObjectKey self) -> std::string"""
2389 return _IMP_kernel.ObjectKey___repr__(self)
2390 __swig_destroy__ = _IMP_kernel.delete_ObjectKey
2393 _IMP_kernel.ObjectKey_swigregister(ObjectKey)
2395 r"""Proxy of C++ IMP::Key< 5 > class."""
2397 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2399 def __init__(self, *args):
2401 __init__(IntsKey self) -> IntsKey
2402 __init__(IntsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> IntsKey
2403 __init__(IntsKey self, unsigned int i) -> IntsKey
2405 _IMP_kernel.IntsKey_swiginit(self, _IMP_kernel.new_IntsKey(*args))
2409 r"""add_key(std::string sc) -> unsigned int"""
2410 return _IMP_kernel.IntsKey_add_key(sc)
2413 def get_key_exists(sc):
2414 r"""get_key_exists(std::string sc) -> bool"""
2415 return _IMP_kernel.IntsKey_get_key_exists(sc)
2417 def get_string(self):
2418 r"""get_string(IntsKey self) -> std::string const"""
2419 return _IMP_kernel.IntsKey_get_string(self)
2421 def __cmp__(self, o):
2422 r"""__cmp__(IntsKey self, IntsKey o) -> int"""
2423 return _IMP_kernel.IntsKey___cmp__(self, o)
2425 def __eq__(self, o):
2426 r"""__eq__(IntsKey self, IntsKey o) -> bool"""
2427 return _IMP_kernel.IntsKey___eq__(self, o)
2429 def __ne__(self, o):
2430 r"""__ne__(IntsKey self, IntsKey o) -> bool"""
2431 return _IMP_kernel.IntsKey___ne__(self, o)
2433 def __lt__(self, o):
2434 r"""__lt__(IntsKey self, IntsKey o) -> bool"""
2435 return _IMP_kernel.IntsKey___lt__(self, o)
2437 def __gt__(self, o):
2438 r"""__gt__(IntsKey self, IntsKey o) -> bool"""
2439 return _IMP_kernel.IntsKey___gt__(self, o)
2441 def __ge__(self, o):
2442 r"""__ge__(IntsKey self, IntsKey o) -> bool"""
2443 return _IMP_kernel.IntsKey___ge__(self, o)
2445 def __le__(self, o):
2446 r"""__le__(IntsKey self, IntsKey o) -> bool"""
2447 return _IMP_kernel.IntsKey___le__(self, o)
2450 r"""__hash__(IntsKey self) -> std::size_t"""
2451 return _IMP_kernel.IntsKey___hash__(self)
2453 def show(self, *args):
2454 r"""show(IntsKey self, _ostream out=std::cout)"""
2455 return _IMP_kernel.IntsKey_show(self, *args)
2458 def add_alias(old_key, new_name):
2459 r"""add_alias(IntsKey old_key, std::string new_name) -> IntsKey"""
2460 return _IMP_kernel.IntsKey_add_alias(old_key, new_name)
2463 def get_number_of_keys():
2464 r"""get_number_of_keys() -> unsigned int"""
2465 return _IMP_kernel.IntsKey_get_number_of_keys()
2468 r"""get_index(IntsKey self) -> unsigned int"""
2469 return _IMP_kernel.IntsKey_get_index(self)
2473 r"""show_all(_ostream out)"""
2474 return _IMP_kernel.IntsKey_show_all(out)
2477 def get_all_strings():
2478 r"""get_all_strings() -> IMP::Vector< std::string >"""
2479 return _IMP_kernel.IntsKey_get_all_strings()
2482 def get_number_unique():
2483 r"""get_number_unique() -> unsigned int"""
2484 return _IMP_kernel.IntsKey_get_number_unique()
2487 r"""__str__(IntsKey self) -> std::string"""
2488 return _IMP_kernel.IntsKey___str__(self)
2491 r"""__repr__(IntsKey self) -> std::string"""
2492 return _IMP_kernel.IntsKey___repr__(self)
2493 __swig_destroy__ = _IMP_kernel.delete_IntsKey
2496 _IMP_kernel.IntsKey_swigregister(IntsKey)
2498 r"""Proxy of C++ IMP::Key< 6 > class."""
2500 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2502 def __init__(self, *args):
2504 __init__(ParticleIndexesKey self) -> ParticleIndexesKey
2505 __init__(ParticleIndexesKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleIndexesKey
2506 __init__(ParticleIndexesKey self, unsigned int i) -> ParticleIndexesKey
2508 _IMP_kernel.ParticleIndexesKey_swiginit(self, _IMP_kernel.new_ParticleIndexesKey(*args))
2512 r"""add_key(std::string sc) -> unsigned int"""
2513 return _IMP_kernel.ParticleIndexesKey_add_key(sc)
2516 def get_key_exists(sc):
2517 r"""get_key_exists(std::string sc) -> bool"""
2518 return _IMP_kernel.ParticleIndexesKey_get_key_exists(sc)
2520 def get_string(self):
2521 r"""get_string(ParticleIndexesKey self) -> std::string const"""
2522 return _IMP_kernel.ParticleIndexesKey_get_string(self)
2524 def __cmp__(self, o):
2525 r"""__cmp__(ParticleIndexesKey self, ParticleIndexesKey o) -> int"""
2526 return _IMP_kernel.ParticleIndexesKey___cmp__(self, o)
2528 def __eq__(self, o):
2529 r"""__eq__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2530 return _IMP_kernel.ParticleIndexesKey___eq__(self, o)
2532 def __ne__(self, o):
2533 r"""__ne__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2534 return _IMP_kernel.ParticleIndexesKey___ne__(self, o)
2536 def __lt__(self, o):
2537 r"""__lt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2538 return _IMP_kernel.ParticleIndexesKey___lt__(self, o)
2540 def __gt__(self, o):
2541 r"""__gt__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2542 return _IMP_kernel.ParticleIndexesKey___gt__(self, o)
2544 def __ge__(self, o):
2545 r"""__ge__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2546 return _IMP_kernel.ParticleIndexesKey___ge__(self, o)
2548 def __le__(self, o):
2549 r"""__le__(ParticleIndexesKey self, ParticleIndexesKey o) -> bool"""
2550 return _IMP_kernel.ParticleIndexesKey___le__(self, o)
2553 r"""__hash__(ParticleIndexesKey self) -> std::size_t"""
2554 return _IMP_kernel.ParticleIndexesKey___hash__(self)
2556 def show(self, *args):
2557 r"""show(ParticleIndexesKey self, _ostream out=std::cout)"""
2558 return _IMP_kernel.ParticleIndexesKey_show(self, *args)
2561 def add_alias(old_key, new_name):
2562 r"""add_alias(ParticleIndexesKey old_key, std::string new_name) -> ParticleIndexesKey"""
2563 return _IMP_kernel.ParticleIndexesKey_add_alias(old_key, new_name)
2566 def get_number_of_keys():
2567 r"""get_number_of_keys() -> unsigned int"""
2568 return _IMP_kernel.ParticleIndexesKey_get_number_of_keys()
2571 r"""get_index(ParticleIndexesKey self) -> unsigned int"""
2572 return _IMP_kernel.ParticleIndexesKey_get_index(self)
2576 r"""show_all(_ostream out)"""
2577 return _IMP_kernel.ParticleIndexesKey_show_all(out)
2580 def get_all_strings():
2581 r"""get_all_strings() -> IMP::Vector< std::string >"""
2582 return _IMP_kernel.ParticleIndexesKey_get_all_strings()
2585 def get_number_unique():
2586 r"""get_number_unique() -> unsigned int"""
2587 return _IMP_kernel.ParticleIndexesKey_get_number_unique()
2590 r"""__str__(ParticleIndexesKey self) -> std::string"""
2591 return _IMP_kernel.ParticleIndexesKey___str__(self)
2594 r"""__repr__(ParticleIndexesKey self) -> std::string"""
2595 return _IMP_kernel.ParticleIndexesKey___repr__(self)
2596 __swig_destroy__ = _IMP_kernel.delete_ParticleIndexesKey
2599 _IMP_kernel.ParticleIndexesKey_swigregister(ParticleIndexesKey)
2601 r"""Proxy of C++ IMP::Key< 8 > class."""
2603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2605 def __init__(self, *args):
2607 __init__(ModelKey self) -> ModelKey
2608 __init__(ModelKey self, std::string const & c, bool is_implicit_add_permitted=True) -> ModelKey
2609 __init__(ModelKey self, unsigned int i) -> ModelKey
2611 _IMP_kernel.ModelKey_swiginit(self, _IMP_kernel.new_ModelKey(*args))
2615 r"""add_key(std::string sc) -> unsigned int"""
2616 return _IMP_kernel.ModelKey_add_key(sc)
2619 def get_key_exists(sc):
2620 r"""get_key_exists(std::string sc) -> bool"""
2621 return _IMP_kernel.ModelKey_get_key_exists(sc)
2623 def get_string(self):
2624 r"""get_string(ModelKey self) -> std::string const"""
2625 return _IMP_kernel.ModelKey_get_string(self)
2627 def __cmp__(self, o):
2628 r"""__cmp__(ModelKey self, ModelKey o) -> int"""
2629 return _IMP_kernel.ModelKey___cmp__(self, o)
2631 def __eq__(self, o):
2632 r"""__eq__(ModelKey self, ModelKey o) -> bool"""
2633 return _IMP_kernel.ModelKey___eq__(self, o)
2635 def __ne__(self, o):
2636 r"""__ne__(ModelKey self, ModelKey o) -> bool"""
2637 return _IMP_kernel.ModelKey___ne__(self, o)
2639 def __lt__(self, o):
2640 r"""__lt__(ModelKey self, ModelKey o) -> bool"""
2641 return _IMP_kernel.ModelKey___lt__(self, o)
2643 def __gt__(self, o):
2644 r"""__gt__(ModelKey self, ModelKey o) -> bool"""
2645 return _IMP_kernel.ModelKey___gt__(self, o)
2647 def __ge__(self, o):
2648 r"""__ge__(ModelKey self, ModelKey o) -> bool"""
2649 return _IMP_kernel.ModelKey___ge__(self, o)
2651 def __le__(self, o):
2652 r"""__le__(ModelKey self, ModelKey o) -> bool"""
2653 return _IMP_kernel.ModelKey___le__(self, o)
2656 r"""__hash__(ModelKey self) -> std::size_t"""
2657 return _IMP_kernel.ModelKey___hash__(self)
2659 def show(self, *args):
2660 r"""show(ModelKey self, _ostream out=std::cout)"""
2661 return _IMP_kernel.ModelKey_show(self, *args)
2664 def add_alias(old_key, new_name):
2665 r"""add_alias(ModelKey old_key, std::string new_name) -> ModelKey"""
2666 return _IMP_kernel.ModelKey_add_alias(old_key, new_name)
2669 def get_number_of_keys():
2670 r"""get_number_of_keys() -> unsigned int"""
2671 return _IMP_kernel.ModelKey_get_number_of_keys()
2674 r"""get_index(ModelKey self) -> unsigned int"""
2675 return _IMP_kernel.ModelKey_get_index(self)
2679 r"""show_all(_ostream out)"""
2680 return _IMP_kernel.ModelKey_show_all(out)
2683 def get_all_strings():
2684 r"""get_all_strings() -> IMP::Vector< std::string >"""
2685 return _IMP_kernel.ModelKey_get_all_strings()
2688 def get_number_unique():
2689 r"""get_number_unique() -> unsigned int"""
2690 return _IMP_kernel.ModelKey_get_number_unique()
2693 r"""__str__(ModelKey self) -> std::string"""
2694 return _IMP_kernel.ModelKey___str__(self)
2697 r"""__repr__(ModelKey self) -> std::string"""
2698 return _IMP_kernel.ModelKey___repr__(self)
2699 __swig_destroy__ = _IMP_kernel.delete_ModelKey
2702 _IMP_kernel.ModelKey_swigregister(ModelKey)
2704 r"""Proxy of C++ IMP::Key< 11 > class."""
2706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2708 def __init__(self, *args):
2710 __init__(TriggerKey self) -> TriggerKey
2711 __init__(TriggerKey self, std::string const & c, bool is_implicit_add_permitted=True) -> TriggerKey
2712 __init__(TriggerKey self, unsigned int i) -> TriggerKey
2714 _IMP_kernel.TriggerKey_swiginit(self, _IMP_kernel.new_TriggerKey(*args))
2718 r"""add_key(std::string sc) -> unsigned int"""
2719 return _IMP_kernel.TriggerKey_add_key(sc)
2722 def get_key_exists(sc):
2723 r"""get_key_exists(std::string sc) -> bool"""
2724 return _IMP_kernel.TriggerKey_get_key_exists(sc)
2726 def get_string(self):
2727 r"""get_string(TriggerKey self) -> std::string const"""
2728 return _IMP_kernel.TriggerKey_get_string(self)
2730 def __cmp__(self, o):
2731 r"""__cmp__(TriggerKey self, TriggerKey o) -> int"""
2732 return _IMP_kernel.TriggerKey___cmp__(self, o)
2734 def __eq__(self, o):
2735 r"""__eq__(TriggerKey self, TriggerKey o) -> bool"""
2736 return _IMP_kernel.TriggerKey___eq__(self, o)
2738 def __ne__(self, o):
2739 r"""__ne__(TriggerKey self, TriggerKey o) -> bool"""
2740 return _IMP_kernel.TriggerKey___ne__(self, o)
2742 def __lt__(self, o):
2743 r"""__lt__(TriggerKey self, TriggerKey o) -> bool"""
2744 return _IMP_kernel.TriggerKey___lt__(self, o)
2746 def __gt__(self, o):
2747 r"""__gt__(TriggerKey self, TriggerKey o) -> bool"""
2748 return _IMP_kernel.TriggerKey___gt__(self, o)
2750 def __ge__(self, o):
2751 r"""__ge__(TriggerKey self, TriggerKey o) -> bool"""
2752 return _IMP_kernel.TriggerKey___ge__(self, o)
2754 def __le__(self, o):
2755 r"""__le__(TriggerKey self, TriggerKey o) -> bool"""
2756 return _IMP_kernel.TriggerKey___le__(self, o)
2759 r"""__hash__(TriggerKey self) -> std::size_t"""
2760 return _IMP_kernel.TriggerKey___hash__(self)
2762 def show(self, *args):
2763 r"""show(TriggerKey self, _ostream out=std::cout)"""
2764 return _IMP_kernel.TriggerKey_show(self, *args)
2767 def add_alias(old_key, new_name):
2768 r"""add_alias(TriggerKey old_key, std::string new_name) -> TriggerKey"""
2769 return _IMP_kernel.TriggerKey_add_alias(old_key, new_name)
2772 def get_number_of_keys():
2773 r"""get_number_of_keys() -> unsigned int"""
2774 return _IMP_kernel.TriggerKey_get_number_of_keys()
2777 r"""get_index(TriggerKey self) -> unsigned int"""
2778 return _IMP_kernel.TriggerKey_get_index(self)
2782 r"""show_all(_ostream out)"""
2783 return _IMP_kernel.TriggerKey_show_all(out)
2786 def get_all_strings():
2787 r"""get_all_strings() -> IMP::Vector< std::string >"""
2788 return _IMP_kernel.TriggerKey_get_all_strings()
2791 def get_number_unique():
2792 r"""get_number_unique() -> unsigned int"""
2793 return _IMP_kernel.TriggerKey_get_number_unique()
2796 r"""__str__(TriggerKey self) -> std::string"""
2797 return _IMP_kernel.TriggerKey___str__(self)
2800 r"""__repr__(TriggerKey self) -> std::string"""
2801 return _IMP_kernel.TriggerKey___repr__(self)
2802 __swig_destroy__ = _IMP_kernel.delete_TriggerKey
2805 _IMP_kernel.TriggerKey_swigregister(TriggerKey)
2807 r"""Proxy of C++ IMP::Index< IMP::ParticleIndexTag > class."""
2809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2811 def __init__(self, *args):
2813 __init__(ParticleIndex self, int i) -> ParticleIndex
2814 __init__(ParticleIndex self) -> ParticleIndex
2816 _IMP_kernel.ParticleIndex_swiginit(self, _IMP_kernel.new_ParticleIndex(*args))
2819 r"""get_index(ParticleIndex self) -> int"""
2820 return _IMP_kernel.ParticleIndex_get_index(self)
2822 def __cmp__(self, o):
2823 r"""__cmp__(ParticleIndex self, ParticleIndex o) -> int"""
2824 return _IMP_kernel.ParticleIndex___cmp__(self, o)
2826 def __eq__(self, o):
2827 r"""__eq__(ParticleIndex self, ParticleIndex o) -> bool"""
2828 return _IMP_kernel.ParticleIndex___eq__(self, o)
2830 def __ne__(self, o):
2831 r"""__ne__(ParticleIndex self, ParticleIndex o) -> bool"""
2832 return _IMP_kernel.ParticleIndex___ne__(self, o)
2834 def __lt__(self, o):
2835 r"""__lt__(ParticleIndex self, ParticleIndex o) -> bool"""
2836 return _IMP_kernel.ParticleIndex___lt__(self, o)
2838 def __gt__(self, o):
2839 r"""__gt__(ParticleIndex self, ParticleIndex o) -> bool"""
2840 return _IMP_kernel.ParticleIndex___gt__(self, o)
2842 def __ge__(self, o):
2843 r"""__ge__(ParticleIndex self, ParticleIndex o) -> bool"""
2844 return _IMP_kernel.ParticleIndex___ge__(self, o)
2846 def __le__(self, o):
2847 r"""__le__(ParticleIndex self, ParticleIndex o) -> bool"""
2848 return _IMP_kernel.ParticleIndex___le__(self, o)
2850 def show(self, *args):
2851 r"""show(ParticleIndex self, _ostream out=std::cout)"""
2852 return _IMP_kernel.ParticleIndex_show(self, *args)
2855 r"""__hash__(ParticleIndex self) -> std::size_t"""
2856 return _IMP_kernel.ParticleIndex___hash__(self)
2859 r"""__str__(ParticleIndex self) -> std::string"""
2860 return _IMP_kernel.ParticleIndex___str__(self)
2863 r"""__repr__(ParticleIndex self) -> std::string"""
2864 return _IMP_kernel.ParticleIndex___repr__(self)
2865 __swig_destroy__ = _IMP_kernel.delete_ParticleIndex
2868 _IMP_kernel.ParticleIndex_swigregister(ParticleIndex)
2870 r"""Proxy of C++ IMP::Key< 10 > class."""
2872 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2874 def __init__(self, *args):
2876 __init__(FloatsKey self) -> FloatsKey
2877 __init__(FloatsKey self, std::string const & c, bool is_implicit_add_permitted=True) -> FloatsKey
2878 __init__(FloatsKey self, unsigned int i) -> FloatsKey
2880 _IMP_kernel.FloatsKey_swiginit(self, _IMP_kernel.new_FloatsKey(*args))
2884 r"""add_key(std::string sc) -> unsigned int"""
2885 return _IMP_kernel.FloatsKey_add_key(sc)
2888 def get_key_exists(sc):
2889 r"""get_key_exists(std::string sc) -> bool"""
2890 return _IMP_kernel.FloatsKey_get_key_exists(sc)
2892 def get_string(self):
2893 r"""get_string(FloatsKey self) -> std::string const"""
2894 return _IMP_kernel.FloatsKey_get_string(self)
2896 def __cmp__(self, o):
2897 r"""__cmp__(FloatsKey self, FloatsKey o) -> int"""
2898 return _IMP_kernel.FloatsKey___cmp__(self, o)
2900 def __eq__(self, o):
2901 r"""__eq__(FloatsKey self, FloatsKey o) -> bool"""
2902 return _IMP_kernel.FloatsKey___eq__(self, o)
2904 def __ne__(self, o):
2905 r"""__ne__(FloatsKey self, FloatsKey o) -> bool"""
2906 return _IMP_kernel.FloatsKey___ne__(self, o)
2908 def __lt__(self, o):
2909 r"""__lt__(FloatsKey self, FloatsKey o) -> bool"""
2910 return _IMP_kernel.FloatsKey___lt__(self, o)
2912 def __gt__(self, o):
2913 r"""__gt__(FloatsKey self, FloatsKey o) -> bool"""
2914 return _IMP_kernel.FloatsKey___gt__(self, o)
2916 def __ge__(self, o):
2917 r"""__ge__(FloatsKey self, FloatsKey o) -> bool"""
2918 return _IMP_kernel.FloatsKey___ge__(self, o)
2920 def __le__(self, o):
2921 r"""__le__(FloatsKey self, FloatsKey o) -> bool"""
2922 return _IMP_kernel.FloatsKey___le__(self, o)
2925 r"""__hash__(FloatsKey self) -> std::size_t"""
2926 return _IMP_kernel.FloatsKey___hash__(self)
2928 def show(self, *args):
2929 r"""show(FloatsKey self, _ostream out=std::cout)"""
2930 return _IMP_kernel.FloatsKey_show(self, *args)
2933 def add_alias(old_key, new_name):
2934 r"""add_alias(FloatsKey old_key, std::string new_name) -> FloatsKey"""
2935 return _IMP_kernel.FloatsKey_add_alias(old_key, new_name)
2938 def get_number_of_keys():
2939 r"""get_number_of_keys() -> unsigned int"""
2940 return _IMP_kernel.FloatsKey_get_number_of_keys()
2943 r"""get_index(FloatsKey self) -> unsigned int"""
2944 return _IMP_kernel.FloatsKey_get_index(self)
2948 r"""show_all(_ostream out)"""
2949 return _IMP_kernel.FloatsKey_show_all(out)
2952 def get_all_strings():
2953 r"""get_all_strings() -> IMP::Vector< std::string >"""
2954 return _IMP_kernel.FloatsKey_get_all_strings()
2957 def get_number_unique():
2958 r"""get_number_unique() -> unsigned int"""
2959 return _IMP_kernel.FloatsKey_get_number_unique()
2962 r"""__str__(FloatsKey self) -> std::string"""
2963 return _IMP_kernel.FloatsKey___str__(self)
2966 r"""__repr__(FloatsKey self) -> std::string"""
2967 return _IMP_kernel.FloatsKey___repr__(self)
2968 __swig_destroy__ = _IMP_kernel.delete_FloatsKey
2971 _IMP_kernel.FloatsKey_swigregister(FloatsKey)
2973 r"""Proxy of C++ IMP::Key< 12 > class."""
2975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2977 def __init__(self, *args):
2979 __init__(SparseStringKey self) -> SparseStringKey
2980 __init__(SparseStringKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseStringKey
2981 __init__(SparseStringKey self, unsigned int i) -> SparseStringKey
2983 _IMP_kernel.SparseStringKey_swiginit(self, _IMP_kernel.new_SparseStringKey(*args))
2987 r"""add_key(std::string sc) -> unsigned int"""
2988 return _IMP_kernel.SparseStringKey_add_key(sc)
2991 def get_key_exists(sc):
2992 r"""get_key_exists(std::string sc) -> bool"""
2993 return _IMP_kernel.SparseStringKey_get_key_exists(sc)
2995 def get_string(self):
2996 r"""get_string(SparseStringKey self) -> std::string const"""
2997 return _IMP_kernel.SparseStringKey_get_string(self)
2999 def __cmp__(self, o):
3000 r"""__cmp__(SparseStringKey self, SparseStringKey o) -> int"""
3001 return _IMP_kernel.SparseStringKey___cmp__(self, o)
3003 def __eq__(self, o):
3004 r"""__eq__(SparseStringKey self, SparseStringKey o) -> bool"""
3005 return _IMP_kernel.SparseStringKey___eq__(self, o)
3007 def __ne__(self, o):
3008 r"""__ne__(SparseStringKey self, SparseStringKey o) -> bool"""
3009 return _IMP_kernel.SparseStringKey___ne__(self, o)
3011 def __lt__(self, o):
3012 r"""__lt__(SparseStringKey self, SparseStringKey o) -> bool"""
3013 return _IMP_kernel.SparseStringKey___lt__(self, o)
3015 def __gt__(self, o):
3016 r"""__gt__(SparseStringKey self, SparseStringKey o) -> bool"""
3017 return _IMP_kernel.SparseStringKey___gt__(self, o)
3019 def __ge__(self, o):
3020 r"""__ge__(SparseStringKey self, SparseStringKey o) -> bool"""
3021 return _IMP_kernel.SparseStringKey___ge__(self, o)
3023 def __le__(self, o):
3024 r"""__le__(SparseStringKey self, SparseStringKey o) -> bool"""
3025 return _IMP_kernel.SparseStringKey___le__(self, o)
3028 r"""__hash__(SparseStringKey self) -> std::size_t"""
3029 return _IMP_kernel.SparseStringKey___hash__(self)
3031 def show(self, *args):
3032 r"""show(SparseStringKey self, _ostream out=std::cout)"""
3033 return _IMP_kernel.SparseStringKey_show(self, *args)
3036 def add_alias(old_key, new_name):
3037 r"""add_alias(SparseStringKey old_key, std::string new_name) -> SparseStringKey"""
3038 return _IMP_kernel.SparseStringKey_add_alias(old_key, new_name)
3041 def get_number_of_keys():
3042 r"""get_number_of_keys() -> unsigned int"""
3043 return _IMP_kernel.SparseStringKey_get_number_of_keys()
3046 r"""get_index(SparseStringKey self) -> unsigned int"""
3047 return _IMP_kernel.SparseStringKey_get_index(self)
3051 r"""show_all(_ostream out)"""
3052 return _IMP_kernel.SparseStringKey_show_all(out)
3055 def get_all_strings():
3056 r"""get_all_strings() -> IMP::Vector< std::string >"""
3057 return _IMP_kernel.SparseStringKey_get_all_strings()
3060 def get_number_unique():
3061 r"""get_number_unique() -> unsigned int"""
3062 return _IMP_kernel.SparseStringKey_get_number_unique()
3065 r"""__str__(SparseStringKey self) -> std::string"""
3066 return _IMP_kernel.SparseStringKey___str__(self)
3069 r"""__repr__(SparseStringKey self) -> std::string"""
3070 return _IMP_kernel.SparseStringKey___repr__(self)
3071 __swig_destroy__ = _IMP_kernel.delete_SparseStringKey
3074 _IMP_kernel.SparseStringKey_swigregister(SparseStringKey)
3076 r"""Proxy of C++ IMP::Key< 13 > class."""
3078 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3080 def __init__(self, *args):
3082 __init__(SparseIntKey self) -> SparseIntKey
3083 __init__(SparseIntKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseIntKey
3084 __init__(SparseIntKey self, unsigned int i) -> SparseIntKey
3086 _IMP_kernel.SparseIntKey_swiginit(self, _IMP_kernel.new_SparseIntKey(*args))
3090 r"""add_key(std::string sc) -> unsigned int"""
3091 return _IMP_kernel.SparseIntKey_add_key(sc)
3094 def get_key_exists(sc):
3095 r"""get_key_exists(std::string sc) -> bool"""
3096 return _IMP_kernel.SparseIntKey_get_key_exists(sc)
3098 def get_string(self):
3099 r"""get_string(SparseIntKey self) -> std::string const"""
3100 return _IMP_kernel.SparseIntKey_get_string(self)
3102 def __cmp__(self, o):
3103 r"""__cmp__(SparseIntKey self, SparseIntKey o) -> int"""
3104 return _IMP_kernel.SparseIntKey___cmp__(self, o)
3106 def __eq__(self, o):
3107 r"""__eq__(SparseIntKey self, SparseIntKey o) -> bool"""
3108 return _IMP_kernel.SparseIntKey___eq__(self, o)
3110 def __ne__(self, o):
3111 r"""__ne__(SparseIntKey self, SparseIntKey o) -> bool"""
3112 return _IMP_kernel.SparseIntKey___ne__(self, o)
3114 def __lt__(self, o):
3115 r"""__lt__(SparseIntKey self, SparseIntKey o) -> bool"""
3116 return _IMP_kernel.SparseIntKey___lt__(self, o)
3118 def __gt__(self, o):
3119 r"""__gt__(SparseIntKey self, SparseIntKey o) -> bool"""
3120 return _IMP_kernel.SparseIntKey___gt__(self, o)
3122 def __ge__(self, o):
3123 r"""__ge__(SparseIntKey self, SparseIntKey o) -> bool"""
3124 return _IMP_kernel.SparseIntKey___ge__(self, o)
3126 def __le__(self, o):
3127 r"""__le__(SparseIntKey self, SparseIntKey o) -> bool"""
3128 return _IMP_kernel.SparseIntKey___le__(self, o)
3131 r"""__hash__(SparseIntKey self) -> std::size_t"""
3132 return _IMP_kernel.SparseIntKey___hash__(self)
3134 def show(self, *args):
3135 r"""show(SparseIntKey self, _ostream out=std::cout)"""
3136 return _IMP_kernel.SparseIntKey_show(self, *args)
3139 def add_alias(old_key, new_name):
3140 r"""add_alias(SparseIntKey old_key, std::string new_name) -> SparseIntKey"""
3141 return _IMP_kernel.SparseIntKey_add_alias(old_key, new_name)
3144 def get_number_of_keys():
3145 r"""get_number_of_keys() -> unsigned int"""
3146 return _IMP_kernel.SparseIntKey_get_number_of_keys()
3149 r"""get_index(SparseIntKey self) -> unsigned int"""
3150 return _IMP_kernel.SparseIntKey_get_index(self)
3154 r"""show_all(_ostream out)"""
3155 return _IMP_kernel.SparseIntKey_show_all(out)
3158 def get_all_strings():
3159 r"""get_all_strings() -> IMP::Vector< std::string >"""
3160 return _IMP_kernel.SparseIntKey_get_all_strings()
3163 def get_number_unique():
3164 r"""get_number_unique() -> unsigned int"""
3165 return _IMP_kernel.SparseIntKey_get_number_unique()
3168 r"""__str__(SparseIntKey self) -> std::string"""
3169 return _IMP_kernel.SparseIntKey___str__(self)
3172 r"""__repr__(SparseIntKey self) -> std::string"""
3173 return _IMP_kernel.SparseIntKey___repr__(self)
3174 __swig_destroy__ = _IMP_kernel.delete_SparseIntKey
3177 _IMP_kernel.SparseIntKey_swigregister(SparseIntKey)
3179 r"""Proxy of C++ IMP::Key< 14 > class."""
3181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3183 def __init__(self, *args):
3185 __init__(SparseFloatKey self) -> SparseFloatKey
3186 __init__(SparseFloatKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseFloatKey
3187 __init__(SparseFloatKey self, unsigned int i) -> SparseFloatKey
3189 _IMP_kernel.SparseFloatKey_swiginit(self, _IMP_kernel.new_SparseFloatKey(*args))
3193 r"""add_key(std::string sc) -> unsigned int"""
3194 return _IMP_kernel.SparseFloatKey_add_key(sc)
3197 def get_key_exists(sc):
3198 r"""get_key_exists(std::string sc) -> bool"""
3199 return _IMP_kernel.SparseFloatKey_get_key_exists(sc)
3201 def get_string(self):
3202 r"""get_string(SparseFloatKey self) -> std::string const"""
3203 return _IMP_kernel.SparseFloatKey_get_string(self)
3205 def __cmp__(self, o):
3206 r"""__cmp__(SparseFloatKey self, SparseFloatKey o) -> int"""
3207 return _IMP_kernel.SparseFloatKey___cmp__(self, o)
3209 def __eq__(self, o):
3210 r"""__eq__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3211 return _IMP_kernel.SparseFloatKey___eq__(self, o)
3213 def __ne__(self, o):
3214 r"""__ne__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3215 return _IMP_kernel.SparseFloatKey___ne__(self, o)
3217 def __lt__(self, o):
3218 r"""__lt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3219 return _IMP_kernel.SparseFloatKey___lt__(self, o)
3221 def __gt__(self, o):
3222 r"""__gt__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3223 return _IMP_kernel.SparseFloatKey___gt__(self, o)
3225 def __ge__(self, o):
3226 r"""__ge__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3227 return _IMP_kernel.SparseFloatKey___ge__(self, o)
3229 def __le__(self, o):
3230 r"""__le__(SparseFloatKey self, SparseFloatKey o) -> bool"""
3231 return _IMP_kernel.SparseFloatKey___le__(self, o)
3234 r"""__hash__(SparseFloatKey self) -> std::size_t"""
3235 return _IMP_kernel.SparseFloatKey___hash__(self)
3237 def show(self, *args):
3238 r"""show(SparseFloatKey self, _ostream out=std::cout)"""
3239 return _IMP_kernel.SparseFloatKey_show(self, *args)
3242 def add_alias(old_key, new_name):
3243 r"""add_alias(SparseFloatKey old_key, std::string new_name) -> SparseFloatKey"""
3244 return _IMP_kernel.SparseFloatKey_add_alias(old_key, new_name)
3247 def get_number_of_keys():
3248 r"""get_number_of_keys() -> unsigned int"""
3249 return _IMP_kernel.SparseFloatKey_get_number_of_keys()
3252 r"""get_index(SparseFloatKey self) -> unsigned int"""
3253 return _IMP_kernel.SparseFloatKey_get_index(self)
3257 r"""show_all(_ostream out)"""
3258 return _IMP_kernel.SparseFloatKey_show_all(out)
3261 def get_all_strings():
3262 r"""get_all_strings() -> IMP::Vector< std::string >"""
3263 return _IMP_kernel.SparseFloatKey_get_all_strings()
3266 def get_number_unique():
3267 r"""get_number_unique() -> unsigned int"""
3268 return _IMP_kernel.SparseFloatKey_get_number_unique()
3271 r"""__str__(SparseFloatKey self) -> std::string"""
3272 return _IMP_kernel.SparseFloatKey___str__(self)
3275 r"""__repr__(SparseFloatKey self) -> std::string"""
3276 return _IMP_kernel.SparseFloatKey___repr__(self)
3277 __swig_destroy__ = _IMP_kernel.delete_SparseFloatKey
3280 _IMP_kernel.SparseFloatKey_swigregister(SparseFloatKey)
3282 r"""Proxy of C++ IMP::Key< 15 > class."""
3284 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3286 def __init__(self, *args):
3288 __init__(SparseParticleIndexKey self) -> SparseParticleIndexKey
3289 __init__(SparseParticleIndexKey self, std::string const & c, bool is_implicit_add_permitted=True) -> SparseParticleIndexKey
3290 __init__(SparseParticleIndexKey self, unsigned int i) -> SparseParticleIndexKey
3292 _IMP_kernel.SparseParticleIndexKey_swiginit(self, _IMP_kernel.new_SparseParticleIndexKey(*args))
3296 r"""add_key(std::string sc) -> unsigned int"""
3297 return _IMP_kernel.SparseParticleIndexKey_add_key(sc)
3300 def get_key_exists(sc):
3301 r"""get_key_exists(std::string sc) -> bool"""
3302 return _IMP_kernel.SparseParticleIndexKey_get_key_exists(sc)
3304 def get_string(self):
3305 r"""get_string(SparseParticleIndexKey self) -> std::string const"""
3306 return _IMP_kernel.SparseParticleIndexKey_get_string(self)
3308 def __cmp__(self, o):
3309 r"""__cmp__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> int"""
3310 return _IMP_kernel.SparseParticleIndexKey___cmp__(self, o)
3312 def __eq__(self, o):
3313 r"""__eq__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3314 return _IMP_kernel.SparseParticleIndexKey___eq__(self, o)
3316 def __ne__(self, o):
3317 r"""__ne__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3318 return _IMP_kernel.SparseParticleIndexKey___ne__(self, o)
3320 def __lt__(self, o):
3321 r"""__lt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3322 return _IMP_kernel.SparseParticleIndexKey___lt__(self, o)
3324 def __gt__(self, o):
3325 r"""__gt__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3326 return _IMP_kernel.SparseParticleIndexKey___gt__(self, o)
3328 def __ge__(self, o):
3329 r"""__ge__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3330 return _IMP_kernel.SparseParticleIndexKey___ge__(self, o)
3332 def __le__(self, o):
3333 r"""__le__(SparseParticleIndexKey self, SparseParticleIndexKey o) -> bool"""
3334 return _IMP_kernel.SparseParticleIndexKey___le__(self, o)
3337 r"""__hash__(SparseParticleIndexKey self) -> std::size_t"""
3338 return _IMP_kernel.SparseParticleIndexKey___hash__(self)
3340 def show(self, *args):
3341 r"""show(SparseParticleIndexKey self, _ostream out=std::cout)"""
3342 return _IMP_kernel.SparseParticleIndexKey_show(self, *args)
3345 def add_alias(old_key, new_name):
3346 r"""add_alias(SparseParticleIndexKey old_key, std::string new_name) -> SparseParticleIndexKey"""
3347 return _IMP_kernel.SparseParticleIndexKey_add_alias(old_key, new_name)
3350 def get_number_of_keys():
3351 r"""get_number_of_keys() -> unsigned int"""
3352 return _IMP_kernel.SparseParticleIndexKey_get_number_of_keys()
3355 r"""get_index(SparseParticleIndexKey self) -> unsigned int"""
3356 return _IMP_kernel.SparseParticleIndexKey_get_index(self)
3360 r"""show_all(_ostream out)"""
3361 return _IMP_kernel.SparseParticleIndexKey_show_all(out)
3364 def get_all_strings():
3365 r"""get_all_strings() -> IMP::Vector< std::string >"""
3366 return _IMP_kernel.SparseParticleIndexKey_get_all_strings()
3369 def get_number_unique():
3370 r"""get_number_unique() -> unsigned int"""
3371 return _IMP_kernel.SparseParticleIndexKey_get_number_unique()
3374 r"""__str__(SparseParticleIndexKey self) -> std::string"""
3375 return _IMP_kernel.SparseParticleIndexKey___str__(self)
3378 r"""__repr__(SparseParticleIndexKey self) -> std::string"""
3379 return _IMP_kernel.SparseParticleIndexKey___repr__(self)
3380 __swig_destroy__ = _IMP_kernel.delete_SparseParticleIndexKey
3383 _IMP_kernel.SparseParticleIndexKey_swigregister(SparseParticleIndexKey)
3385 r"""Proxy of C++ IMP::Key< 16 > class."""
3387 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3389 def __init__(self, *args):
3391 __init__(Vector3DKey self) -> Vector3DKey
3392 __init__(Vector3DKey self, std::string const & c, bool is_implicit_add_permitted=True) -> Vector3DKey
3393 __init__(Vector3DKey self, unsigned int i) -> Vector3DKey
3395 _IMP_kernel.Vector3DKey_swiginit(self, _IMP_kernel.new_Vector3DKey(*args))
3399 r"""add_key(std::string sc) -> unsigned int"""
3400 return _IMP_kernel.Vector3DKey_add_key(sc)
3403 def get_key_exists(sc):
3404 r"""get_key_exists(std::string sc) -> bool"""
3405 return _IMP_kernel.Vector3DKey_get_key_exists(sc)
3407 def get_string(self):
3408 r"""get_string(Vector3DKey self) -> std::string const"""
3409 return _IMP_kernel.Vector3DKey_get_string(self)
3411 def __cmp__(self, o):
3412 r"""__cmp__(Vector3DKey self, Vector3DKey o) -> int"""
3413 return _IMP_kernel.Vector3DKey___cmp__(self, o)
3415 def __eq__(self, o):
3416 r"""__eq__(Vector3DKey self, Vector3DKey o) -> bool"""
3417 return _IMP_kernel.Vector3DKey___eq__(self, o)
3419 def __ne__(self, o):
3420 r"""__ne__(Vector3DKey self, Vector3DKey o) -> bool"""
3421 return _IMP_kernel.Vector3DKey___ne__(self, o)
3423 def __lt__(self, o):
3424 r"""__lt__(Vector3DKey self, Vector3DKey o) -> bool"""
3425 return _IMP_kernel.Vector3DKey___lt__(self, o)
3427 def __gt__(self, o):
3428 r"""__gt__(Vector3DKey self, Vector3DKey o) -> bool"""
3429 return _IMP_kernel.Vector3DKey___gt__(self, o)
3431 def __ge__(self, o):
3432 r"""__ge__(Vector3DKey self, Vector3DKey o) -> bool"""
3433 return _IMP_kernel.Vector3DKey___ge__(self, o)
3435 def __le__(self, o):
3436 r"""__le__(Vector3DKey self, Vector3DKey o) -> bool"""
3437 return _IMP_kernel.Vector3DKey___le__(self, o)
3440 r"""__hash__(Vector3DKey self) -> std::size_t"""
3441 return _IMP_kernel.Vector3DKey___hash__(self)
3443 def show(self, *args):
3444 r"""show(Vector3DKey self, _ostream out=std::cout)"""
3445 return _IMP_kernel.Vector3DKey_show(self, *args)
3448 def add_alias(old_key, new_name):
3449 r"""add_alias(Vector3DKey old_key, std::string new_name) -> Vector3DKey"""
3450 return _IMP_kernel.Vector3DKey_add_alias(old_key, new_name)
3453 def get_number_of_keys():
3454 r"""get_number_of_keys() -> unsigned int"""
3455 return _IMP_kernel.Vector3DKey_get_number_of_keys()
3458 r"""get_index(Vector3DKey self) -> unsigned int"""
3459 return _IMP_kernel.Vector3DKey_get_index(self)
3463 r"""show_all(_ostream out)"""
3464 return _IMP_kernel.Vector3DKey_show_all(out)
3467 def get_all_strings():
3468 r"""get_all_strings() -> IMP::Vector< std::string >"""
3469 return _IMP_kernel.Vector3DKey_get_all_strings()
3472 def get_number_unique():
3473 r"""get_number_unique() -> unsigned int"""
3474 return _IMP_kernel.Vector3DKey_get_number_unique()
3477 r"""__str__(Vector3DKey self) -> std::string"""
3478 return _IMP_kernel.Vector3DKey___str__(self)
3481 r"""__repr__(Vector3DKey self) -> std::string"""
3482 return _IMP_kernel.Vector3DKey___repr__(self)
3483 __swig_destroy__ = _IMP_kernel.delete_Vector3DKey
3486 _IMP_kernel.Vector3DKey_swigregister(Vector3DKey)
3495 class FloatIndex(_Value):
3496 r"""Proxy of C++ IMP::FloatIndex class."""
3498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3500 def __init__(self, *args):
3501 r"""__init__(FloatIndex self, ParticleIndex i0=ParticleIndex(), FloatKey i1=FloatKey()) -> FloatIndex"""
3502 _IMP_kernel.FloatIndex_swiginit(self, _IMP_kernel.new_FloatIndex(*args))
3505 r"""__hash__(FloatIndex self) -> std::size_t"""
3506 return _IMP_kernel.FloatIndex___hash__(self)
3508 def show(self, *args):
3509 r"""show(FloatIndex self, _ostream out=std::cout)"""
3510 return _IMP_kernel.FloatIndex_show(self, *args)
3512 def __cmp__(self, o):
3513 r"""__cmp__(FloatIndex self, FloatIndex o) -> int"""
3514 return _IMP_kernel.FloatIndex___cmp__(self, o)
3516 def __eq__(self, o):
3517 r"""__eq__(FloatIndex self, FloatIndex o) -> bool"""
3518 return _IMP_kernel.FloatIndex___eq__(self, o)
3520 def __ne__(self, o):
3521 r"""__ne__(FloatIndex self, FloatIndex o) -> bool"""
3522 return _IMP_kernel.FloatIndex___ne__(self, o)
3524 def __lt__(self, o):
3525 r"""__lt__(FloatIndex self, FloatIndex o) -> bool"""
3526 return _IMP_kernel.FloatIndex___lt__(self, o)
3528 def __gt__(self, o):
3529 r"""__gt__(FloatIndex self, FloatIndex o) -> bool"""
3530 return _IMP_kernel.FloatIndex___gt__(self, o)
3532 def __ge__(self, o):
3533 r"""__ge__(FloatIndex self, FloatIndex o) -> bool"""
3534 return _IMP_kernel.FloatIndex___ge__(self, o)
3536 def __le__(self, o):
3537 r"""__le__(FloatIndex self, FloatIndex o) -> bool"""
3538 return _IMP_kernel.FloatIndex___le__(self, o)
3540 def get_particle(self):
3541 r"""get_particle(FloatIndex self) -> ParticleIndex const &"""
3542 return _IMP_kernel.FloatIndex_get_particle(self)
3544 def set_particle(self, v):
3545 r"""set_particle(FloatIndex self, ParticleIndex const & v)"""
3546 return _IMP_kernel.FloatIndex_set_particle(self, v)
3549 r"""get_key(FloatIndex self) -> FloatKey const &"""
3550 return _IMP_kernel.FloatIndex_get_key(self)
3552 def set_key(self, v):
3553 r"""set_key(FloatIndex self, FloatKey const & v)"""
3554 return _IMP_kernel.FloatIndex_set_key(self, v)
3557 r"""__str__(FloatIndex self) -> std::string"""
3558 return _IMP_kernel.FloatIndex___str__(self)
3561 r"""__repr__(FloatIndex self) -> std::string"""
3562 return _IMP_kernel.FloatIndex___repr__(self)
3563 __swig_destroy__ = _IMP_kernel.delete_FloatIndex
3566 _IMP_kernel.FloatIndex_swigregister(FloatIndex)
3567 class _ParticleIndexTag(object):
3568 r"""Proxy of C++ IMP::ParticleIndexTag class."""
3570 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3571 __repr__ = _swig_repr
3574 r"""__init__(_ParticleIndexTag self) -> _ParticleIndexTag"""
3575 _IMP_kernel._ParticleIndexTag_swiginit(self, _IMP_kernel.new__ParticleIndexTag())
3576 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexTag
3579 _IMP_kernel._ParticleIndexTag_swigregister(_ParticleIndexTag)
3580 class ModelObject(
Object):
3581 r"""Proxy of C++ IMP::ModelObject class."""
3583 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3585 def __init__(self, *args):
3587 __init__(ModelObject self, Model m, std::string name) -> ModelObject
3588 __init__(ModelObject self) -> ModelObject
3590 if self.__class__ == ModelObject:
3594 _IMP_kernel.ModelObject_swiginit(self, _IMP_kernel.new_ModelObject(_self, *args))
3596 if self.__class__ != ModelObject:
3597 _director_objects.register(self)
3601 __swig_destroy__ = _IMP_kernel.delete_ModelObject
3603 def get_model(self):
3604 m = _IMP_kernel.ModelObject_get_model(self)
3605 if m
in _models_set:
3606 m = _models_set_get(m)
3611 def get_inputs(self):
3612 r"""get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3613 return _IMP_kernel.ModelObject_get_inputs(self)
3615 def get_outputs(self):
3616 r"""get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3617 return _IMP_kernel.ModelObject_get_outputs(self)
3619 def get_interactions(self):
3620 r"""get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3621 return _IMP_kernel.ModelObject_get_interactions(self)
3623 def get_has_dependencies(self):
3624 r"""get_has_dependencies(ModelObject self) -> bool"""
3625 return _IMP_kernel.ModelObject_get_has_dependencies(self)
3627 def set_has_dependencies(self, tf):
3628 r"""set_has_dependencies(ModelObject self, bool tf)"""
3629 return _IMP_kernel.ModelObject_set_has_dependencies(self, tf)
3631 def set_has_required_score_states(self, tf):
3632 r"""set_has_required_score_states(ModelObject self, bool tf)"""
3633 return _IMP_kernel.ModelObject_set_has_required_score_states(self, tf)
3635 def get_has_required_score_states(self):
3636 r"""get_has_required_score_states(ModelObject self) -> bool"""
3637 return _IMP_kernel.ModelObject_get_has_required_score_states(self)
3639 def get_required_score_states(self):
3640 r"""get_required_score_states(ModelObject self) -> IMP::ScoreStatesTemp const &"""
3641 return _IMP_kernel.ModelObject_get_required_score_states(self)
3643 def handle_set_has_required_score_states(self, arg0):
3644 r"""handle_set_has_required_score_states(ModelObject self, bool arg0)"""
3645 return _IMP_kernel.ModelObject_handle_set_has_required_score_states(self, arg0)
3647 def do_get_inputs(self):
3648 r"""do_get_inputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3649 return _IMP_kernel.ModelObject_do_get_inputs(self)
3651 def do_get_outputs(self):
3652 r"""do_get_outputs(ModelObject self) -> IMP::ModelObjectsTemp"""
3653 return _IMP_kernel.ModelObject_do_get_outputs(self)
3655 def do_get_interactions(self):
3656 r"""do_get_interactions(ModelObject self) -> IMP::ModelObjectsTemps"""
3657 return _IMP_kernel.ModelObject_do_get_interactions(self)
3660 r"""__str__(ModelObject self) -> std::string"""
3661 return _IMP_kernel.ModelObject___str__(self)
3664 r"""__repr__(ModelObject self) -> std::string"""
3665 return _IMP_kernel.ModelObject___repr__(self)
3669 return _object_cast_to_ModelObject(o)
3672 def do_show(self, out):
3677 return _object_cast_to_ModelObject(o)
3679 def __disown__(self):
3681 _IMP_kernel.disown_ModelObject(self)
3682 return weakref.proxy(self)
3685 r"""do_destroy(ModelObject self)"""
3686 return _IMP_kernel.ModelObject_do_destroy(self)
3689 _IMP_kernel.ModelObject_swigregister(ModelObject)
3690 cvar = _IMP_kernel.cvar
3691 NO_MAX = cvar.NO_MAX
3692 BAD_SCORE = cvar.BAD_SCORE
3694 class _ParticleInputs(object):
3695 r"""Proxy of C++ IMP::ParticleInputs class."""
3697 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3699 def __init__(self, *args, **kwargs):
3700 raise AttributeError(
"No constructor defined - class is abstract")
3701 __repr__ = _swig_repr
3703 def get_inputs(self, m, pis):
3704 r"""get_inputs(_ParticleInputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3705 return _IMP_kernel._ParticleInputs_get_inputs(self, m, pis)
3708 _IMP_kernel._ParticleInputs_swigregister(_ParticleInputs)
3709 class _ParticleOutputs(object):
3710 r"""Proxy of C++ IMP::ParticleOutputs class."""
3712 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3714 def __init__(self, *args, **kwargs):
3715 raise AttributeError(
"No constructor defined - class is abstract")
3716 __repr__ = _swig_repr
3718 def get_outputs(self, m, pis):
3719 r"""get_outputs(_ParticleOutputs self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3720 return _IMP_kernel._ParticleOutputs_get_outputs(self, m, pis)
3723 _IMP_kernel._ParticleOutputs_swigregister(_ParticleOutputs)
3726 r"""get_input_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3727 return _IMP_kernel.get_input_particles(mos)
3730 r"""get_input_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3731 return _IMP_kernel.get_input_containers(mos)
3734 r"""get_output_particles(IMP::ModelObjectsTemp const & mos) -> IMP::ParticlesTemp"""
3735 return _IMP_kernel.get_output_particles(mos)
3738 r"""get_output_containers(IMP::ModelObjectsTemp const & mos) -> IMP::ContainersTemp"""
3739 return _IMP_kernel.get_output_containers(mos)
3740 class DerivativeAccumulator(object):
3741 r"""Proxy of C++ IMP::DerivativeAccumulator class."""
3743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3744 __repr__ = _swig_repr
3746 def __init__(self, *args):
3748 __init__(DerivativeAccumulator self, DerivativeAccumulator arg2) -> DerivativeAccumulator
3749 __init__(DerivativeAccumulator self, double weight=1.0) -> DerivativeAccumulator
3750 __init__(DerivativeAccumulator self, DerivativeAccumulator copy, double weight) -> DerivativeAccumulator
3752 _IMP_kernel.DerivativeAccumulator_swiginit(self, _IMP_kernel.new_DerivativeAccumulator(*args))
3754 def __call__(self, value):
3755 r"""__call__(DerivativeAccumulator self, double const value) -> double"""
3756 return _IMP_kernel.DerivativeAccumulator___call__(self, value)
3758 def get_weight(self):
3759 r"""get_weight(DerivativeAccumulator self) -> double"""
3760 return _IMP_kernel.DerivativeAccumulator_get_weight(self)
3762 def show(self, *args):
3763 r"""show(DerivativeAccumulator self, _ostream out=std::cout)"""
3764 return _IMP_kernel.DerivativeAccumulator_show(self, *args)
3765 __swig_destroy__ = _IMP_kernel.delete_DerivativeAccumulator
3768 _IMP_kernel.DerivativeAccumulator_swigregister(DerivativeAccumulator)
3769 class EvaluationState(object):
3770 r"""Proxy of C++ IMP::EvaluationState class."""
3772 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3773 score = property(_IMP_kernel.EvaluationState_score_get, _IMP_kernel.EvaluationState_score_set, doc=
r"""score : double""")
3774 good = property(_IMP_kernel.EvaluationState_good_get, _IMP_kernel.EvaluationState_good_set, doc=
r"""good : bool""")
3776 def __init__(self, *args):
3778 __init__(EvaluationState self, double oscore, bool ogood) -> EvaluationState
3779 __init__(EvaluationState self) -> EvaluationState
3781 _IMP_kernel.EvaluationState_swiginit(self, _IMP_kernel.new_EvaluationState(*args))
3783 def show(self, *args):
3784 r"""show(EvaluationState self, _ostream out=std::cout)"""
3785 return _IMP_kernel.EvaluationState_show(self, *args)
3788 r"""__str__(EvaluationState self) -> std::string"""
3789 return _IMP_kernel.EvaluationState___str__(self)
3792 r"""__repr__(EvaluationState self) -> std::string"""
3793 return _IMP_kernel.EvaluationState___repr__(self)
3794 __swig_destroy__ = _IMP_kernel.delete_EvaluationState
3797 _IMP_kernel.EvaluationState_swigregister(EvaluationState)
3798 class ScoreAccumulator(_Value):
3799 r"""Proxy of C++ IMP::ScoreAccumulator class."""
3801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3803 def __init__(self, *args):
3805 __init__(ScoreAccumulator self, ScoreAccumulator arg2) -> ScoreAccumulator
3806 __init__(ScoreAccumulator self) -> ScoreAccumulator
3807 __init__(ScoreAccumulator self, ScoreAccumulator o, Restraint r) -> ScoreAccumulator
3808 __init__(ScoreAccumulator self, ScoreAccumulator o, double weight, double local_max) -> ScoreAccumulator
3810 _IMP_kernel.ScoreAccumulator_swiginit(self, _IMP_kernel.new_ScoreAccumulator(*args))
3812 def add_score(self, score):
3813 r"""add_score(ScoreAccumulator self, double score)"""
3814 return _IMP_kernel.ScoreAccumulator_add_score(self, score)
3816 def get_abort_evaluation(self):
3817 r"""get_abort_evaluation(ScoreAccumulator self) -> bool"""
3818 return _IMP_kernel.ScoreAccumulator_get_abort_evaluation(self)
3820 def get_is_evaluate_if_below(self):
3821 r"""get_is_evaluate_if_below(ScoreAccumulator self) -> bool"""
3822 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_below(self)
3824 def get_is_evaluate_if_good(self):
3825 r"""get_is_evaluate_if_good(ScoreAccumulator self) -> bool"""
3826 return _IMP_kernel.ScoreAccumulator_get_is_evaluate_if_good(self)
3828 def get_maximum(self):
3829 r"""get_maximum(ScoreAccumulator self) -> double"""
3830 return _IMP_kernel.ScoreAccumulator_get_maximum(self)
3832 def get_derivative_accumulator(self):
3833 r"""get_derivative_accumulator(ScoreAccumulator self) -> DerivativeAccumulator"""
3834 return _IMP_kernel.ScoreAccumulator_get_derivative_accumulator(self)
3836 def show(self, *args):
3837 r"""show(ScoreAccumulator self, _ostream out=std::cout)"""
3838 return _IMP_kernel.ScoreAccumulator_show(self, *args)
3841 r"""__str__(ScoreAccumulator self) -> std::string"""
3842 return _IMP_kernel.ScoreAccumulator___str__(self)
3845 r"""__repr__(ScoreAccumulator self) -> std::string"""
3846 return _IMP_kernel.ScoreAccumulator___repr__(self)
3847 __swig_destroy__ = _IMP_kernel.delete_ScoreAccumulator
3850 _IMP_kernel.ScoreAccumulator_swigregister(ScoreAccumulator)
3851 class ScoreState(ModelObject):
3852 r"""Proxy of C++ IMP::ScoreState class."""
3854 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3856 def set_can_skip(self, can_skip):
3857 r"""set_can_skip(ScoreState self, bool can_skip)"""
3858 return _IMP_kernel.ScoreState_set_can_skip(self, can_skip)
3860 def __init__(self, *args):
3862 __init__(ScoreState self, Model m, std::string name) -> ScoreState
3863 __init__(ScoreState self) -> ScoreState
3865 if self.__class__ == ScoreState:
3869 _IMP_kernel.ScoreState_swiginit(self, _IMP_kernel.new_ScoreState(_self, *args))
3871 if self.__class__ != ScoreState:
3872 _director_objects.register(self)
3877 def before_evaluate(self):
3878 r"""before_evaluate(ScoreState self)"""
3879 return _IMP_kernel.ScoreState_before_evaluate(self)
3881 def after_evaluate(self, accpt):
3882 r"""after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3883 return _IMP_kernel.ScoreState_after_evaluate(self, accpt)
3885 def get_can_skip(self):
3886 r"""get_can_skip(ScoreState self) -> bool"""
3887 return _IMP_kernel.ScoreState_get_can_skip(self)
3889 def get_has_update_order(self):
3890 r"""get_has_update_order(ScoreState self) -> bool"""
3891 return _IMP_kernel.ScoreState_get_has_update_order(self)
3894 r"""get_update_order(ScoreState self) -> unsigned int"""
3895 return _IMP_kernel.ScoreState_get_update_order(self)
3897 def handle_set_has_required_score_states(self, tf):
3898 r"""handle_set_has_required_score_states(ScoreState self, bool tf)"""
3899 return _IMP_kernel.ScoreState_handle_set_has_required_score_states(self, tf)
3901 def do_before_evaluate(self):
3902 r"""do_before_evaluate(ScoreState self)"""
3903 return _IMP_kernel.ScoreState_do_before_evaluate(self)
3905 def do_after_evaluate(self, accpt):
3906 r"""do_after_evaluate(ScoreState self, DerivativeAccumulator accpt)"""
3907 return _IMP_kernel.ScoreState_do_after_evaluate(self, accpt)
3908 __swig_destroy__ = _IMP_kernel.delete_ScoreState
3911 r"""__str__(ScoreState self) -> std::string"""
3912 return _IMP_kernel.ScoreState___str__(self)
3915 r"""__repr__(ScoreState self) -> std::string"""
3916 return _IMP_kernel.ScoreState___repr__(self)
3920 return _object_cast_to_ScoreState(o)
3923 def do_show(self, out):
3928 return _object_cast_to_ScoreState(o)
3931 def _wrap_jax(self, apply_func, keys=None):
3932 """Create the return value for _get_jax.
3933 Use this method in _get_jax() to wrap the JAX apply function
3934 with other model- and ScoreState-specific information.
3936 @param apply_func A function implemented using JAX that takes
3937 a single argument (the current JAX Model) and returns
3938 a new JAX Model with the ScoreState's transformation
3940 @param keys If given, a set of IMP::Key objects describing Model
3941 attributes (other than xyz and radius) that the ScoreState
3944 from IMP._jax_util
import JAXScoreStateInfo
3945 return JAXScoreStateInfo(m=self.get_model(), apply_func=apply_func,
3949 """Return a JAX implementation of this ScoreState.
3950 Implement this method in a ScoreState subclass to provide
3951 an equivalent function using [JAX](https://docs.jax.dev/)
3952 that modifies the JAX Model. See also _wrap_jax.
3954 raise NotImplementedError(
3955 f
"No JAX implementation for {self} ({type(self)})")
3957 def __disown__(self):
3959 _IMP_kernel.disown_ScoreState(self)
3960 return weakref.proxy(self)
3963 r"""do_destroy(ScoreState self)"""
3964 return _IMP_kernel.ScoreState_do_destroy(self)
3966 def do_get_inputs(self):
3967 r"""do_get_inputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3968 return _IMP_kernel.ScoreState_do_get_inputs(self)
3970 def do_get_outputs(self):
3971 r"""do_get_outputs(ScoreState self) -> IMP::ModelObjectsTemp"""
3972 return _IMP_kernel.ScoreState_do_get_outputs(self)
3974 def do_get_interactions(self):
3975 r"""do_get_interactions(ScoreState self) -> IMP::ModelObjectsTemps"""
3976 return _IMP_kernel.ScoreState_do_get_interactions(self)
3979 _IMP_kernel.ScoreState_swigregister(ScoreState)
3982 r"""get_update_order(IMP::ScoreStatesTemp input) -> IMP::ScoreStatesTemp"""
3983 return _IMP_kernel.get_update_order(input)
3984 class Constraint(ScoreState):
3985 r"""Proxy of C++ IMP::Constraint class."""
3987 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3989 def __init__(self, *args):
3991 __init__(Constraint self, Model m, std::string name="Constraint %1%") -> Constraint
3992 __init__(Constraint self) -> Constraint
3994 if self.__class__ == Constraint:
3998 _IMP_kernel.Constraint_swiginit(self, _IMP_kernel.new_Constraint(_self, *args))
4000 if self.__class__ != Constraint:
4001 _director_objects.register(self)
4006 def do_update_attributes(self):
4007 r"""do_update_attributes(Constraint self)"""
4008 return _IMP_kernel.Constraint_do_update_attributes(self)
4010 def do_update_derivatives(self, da):
4011 r"""do_update_derivatives(Constraint self, DerivativeAccumulator da)"""
4012 return _IMP_kernel.Constraint_do_update_derivatives(self, da)
4014 def do_before_evaluate(self):
4015 r"""do_before_evaluate(Constraint self)"""
4016 return _IMP_kernel.Constraint_do_before_evaluate(self)
4018 def do_after_evaluate(self, da):
4019 r"""do_after_evaluate(Constraint self, DerivativeAccumulator da)"""
4020 return _IMP_kernel.Constraint_do_after_evaluate(self, da)
4021 __swig_destroy__ = _IMP_kernel.delete_Constraint
4024 r"""__str__(Constraint self) -> std::string"""
4025 return _IMP_kernel.Constraint___str__(self)
4028 r"""__repr__(Constraint self) -> std::string"""
4029 return _IMP_kernel.Constraint___repr__(self)
4033 return _object_cast_to_Constraint(o)
4036 def do_show(self, out):
4041 return _object_cast_to_Constraint(o)
4043 def __disown__(self):
4045 _IMP_kernel.disown_Constraint(self)
4046 return weakref.proxy(self)
4049 r"""do_destroy(Constraint self)"""
4050 return _IMP_kernel.Constraint_do_destroy(self)
4052 def do_get_inputs(self):
4053 r"""do_get_inputs(Constraint self) -> IMP::ModelObjectsTemp"""
4054 return _IMP_kernel.Constraint_do_get_inputs(self)
4056 def do_get_outputs(self):
4057 r"""do_get_outputs(Constraint self) -> IMP::ModelObjectsTemp"""
4058 return _IMP_kernel.Constraint_do_get_outputs(self)
4060 def do_get_interactions(self):
4061 r"""do_get_interactions(Constraint self) -> IMP::ModelObjectsTemps"""
4062 return _IMP_kernel.Constraint_do_get_interactions(self)
4065 _IMP_kernel.Constraint_swigregister(Constraint)
4066 class Container(ModelObject):
4067 r"""Proxy of C++ IMP::Container class."""
4069 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4071 def __init__(self, *args):
4073 __init__(Container self, Model m, std::string name="Container %1%") -> Container
4074 __init__(Container self) -> Container
4076 if self.__class__ == Container:
4080 _IMP_kernel.Container_swiginit(self, _IMP_kernel.new_Container(_self, *args))
4082 if self.__class__ != Container:
4083 _director_objects.register(self)
4088 def do_get_contents_hash(self):
4089 r"""do_get_contents_hash(Container self) -> std::size_t"""
4090 return _IMP_kernel.Container_do_get_contents_hash(self)
4092 def get_all_possible_indexes(self):
4093 r"""get_all_possible_indexes(Container self) -> IMP::ParticleIndexes"""
4094 return _IMP_kernel.Container_get_all_possible_indexes(self)
4096 def get_contents_hash(self):
4097 r"""get_contents_hash(Container self) -> std::size_t"""
4098 return _IMP_kernel.Container_get_contents_hash(self)
4100 def do_get_outputs(self):
4101 r"""do_get_outputs(Container self) -> IMP::ModelObjectsTemp"""
4102 return _IMP_kernel.Container_do_get_outputs(self)
4104 def get_is_decomposable(self):
4105 r"""get_is_decomposable(Container self) -> bool"""
4106 return _IMP_kernel.Container_get_is_decomposable(self)
4108 def validate_readable(self):
4109 r"""validate_readable(Container self)"""
4110 return _IMP_kernel.Container_validate_readable(self)
4112 def validate_writable(self):
4113 r"""validate_writable(Container self)"""
4114 return _IMP_kernel.Container_validate_writable(self)
4116 def set_is_readable(self, tf):
4117 r"""set_is_readable(Container self, bool tf)"""
4118 return _IMP_kernel.Container_set_is_readable(self, tf)
4120 def set_is_writable(self, tf):
4121 r"""set_is_writable(Container self, bool tf)"""
4122 return _IMP_kernel.Container_set_is_writable(self, tf)
4123 __swig_destroy__ = _IMP_kernel.delete_Container
4126 r"""__str__(Container self) -> std::string"""
4127 return _IMP_kernel.Container___str__(self)
4130 r"""__repr__(Container self) -> std::string"""
4131 return _IMP_kernel.Container___repr__(self)
4135 return _object_cast_to_Container(o)
4138 def do_show(self, out):
4143 return _object_cast_to_Container(o)
4145 def __disown__(self):
4147 _IMP_kernel.disown_Container(self)
4148 return weakref.proxy(self)
4151 r"""do_destroy(Container self)"""
4152 return _IMP_kernel.Container_do_destroy(self)
4154 def handle_set_has_required_score_states(self, arg0):
4155 r"""handle_set_has_required_score_states(Container self, bool arg0)"""
4156 return _IMP_kernel.Container_handle_set_has_required_score_states(self, arg0)
4158 def do_get_inputs(self):
4159 r"""do_get_inputs(Container self) -> IMP::ModelObjectsTemp"""
4160 return _IMP_kernel.Container_do_get_inputs(self)
4162 def do_get_interactions(self):
4163 r"""do_get_interactions(Container self) -> IMP::ModelObjectsTemps"""
4164 return _IMP_kernel.Container_do_get_interactions(self)
4167 _IMP_kernel.Container_swigregister(Container)
4168 class RestraintInfo(
Object):
4169 r"""Proxy of C++ IMP::RestraintInfo class."""
4171 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4173 def __init__(self, *args):
4174 r"""__init__(RestraintInfo self, std::string name="RestraintInfo %1%") -> RestraintInfo"""
4175 _IMP_kernel.RestraintInfo_swiginit(self, _IMP_kernel.new_RestraintInfo(*args))
4178 r"""clear(RestraintInfo self)"""
4179 return _IMP_kernel.RestraintInfo_clear(self)
4181 def add_int(self, key, value):
4182 r"""add_int(RestraintInfo self, std::string key, int value)"""
4183 return _IMP_kernel.RestraintInfo_add_int(self, key, value)
4185 def get_number_of_int(self):
4186 r"""get_number_of_int(RestraintInfo self) -> unsigned int"""
4187 return _IMP_kernel.RestraintInfo_get_number_of_int(self)
4189 def get_int_key(self, i):
4190 r"""get_int_key(RestraintInfo self, unsigned int i) -> std::string"""
4191 return _IMP_kernel.RestraintInfo_get_int_key(self, i)
4193 def get_int_value(self, i):
4194 r"""get_int_value(RestraintInfo self, unsigned int i) -> int"""
4195 return _IMP_kernel.RestraintInfo_get_int_value(self, i)
4197 def add_float(self, key, value):
4198 r"""add_float(RestraintInfo self, std::string key, double value)"""
4199 return _IMP_kernel.RestraintInfo_add_float(self, key, value)
4201 def get_number_of_float(self):
4202 r"""get_number_of_float(RestraintInfo self) -> unsigned int"""
4203 return _IMP_kernel.RestraintInfo_get_number_of_float(self)
4205 def get_float_key(self, i):
4206 r"""get_float_key(RestraintInfo self, unsigned int i) -> std::string"""
4207 return _IMP_kernel.RestraintInfo_get_float_key(self, i)
4209 def get_float_value(self, i):
4210 r"""get_float_value(RestraintInfo self, unsigned int i) -> double"""
4211 return _IMP_kernel.RestraintInfo_get_float_value(self, i)
4213 def add_string(self, key, value):
4214 r"""add_string(RestraintInfo self, std::string key, std::string value)"""
4215 return _IMP_kernel.RestraintInfo_add_string(self, key, value)
4217 def get_number_of_string(self):
4218 r"""get_number_of_string(RestraintInfo self) -> unsigned int"""
4219 return _IMP_kernel.RestraintInfo_get_number_of_string(self)
4221 def get_string_key(self, i):
4222 r"""get_string_key(RestraintInfo self, unsigned int i) -> std::string"""
4223 return _IMP_kernel.RestraintInfo_get_string_key(self, i)
4225 def get_string_value(self, i):
4226 r"""get_string_value(RestraintInfo self, unsigned int i) -> std::string"""
4227 return _IMP_kernel.RestraintInfo_get_string_value(self, i)
4229 def add_filename(self, key, value):
4230 r"""add_filename(RestraintInfo self, std::string key, std::string value)"""
4231 return _IMP_kernel.RestraintInfo_add_filename(self, key, value)
4233 def get_number_of_filename(self):
4234 r"""get_number_of_filename(RestraintInfo self) -> unsigned int"""
4235 return _IMP_kernel.RestraintInfo_get_number_of_filename(self)
4237 def get_filename_key(self, i):
4238 r"""get_filename_key(RestraintInfo self, unsigned int i) -> std::string"""
4239 return _IMP_kernel.RestraintInfo_get_filename_key(self, i)
4241 def get_filename_value(self, i):
4242 r"""get_filename_value(RestraintInfo self, unsigned int i) -> std::string"""
4243 return _IMP_kernel.RestraintInfo_get_filename_value(self, i)
4245 def add_floats(self, key, value):
4246 r"""add_floats(RestraintInfo self, std::string key, IMP::Floats value)"""
4247 return _IMP_kernel.RestraintInfo_add_floats(self, key, value)
4249 def get_number_of_floats(self):
4250 r"""get_number_of_floats(RestraintInfo self) -> unsigned int"""
4251 return _IMP_kernel.RestraintInfo_get_number_of_floats(self)
4253 def get_floats_key(self, i):
4254 r"""get_floats_key(RestraintInfo self, unsigned int i) -> std::string"""
4255 return _IMP_kernel.RestraintInfo_get_floats_key(self, i)
4257 def get_floats_value(self, i):
4258 r"""get_floats_value(RestraintInfo self, unsigned int i) -> IMP::Floats"""
4259 return _IMP_kernel.RestraintInfo_get_floats_value(self, i)
4261 def add_ints(self, key, value):
4262 r"""add_ints(RestraintInfo self, std::string key, IMP::Ints value)"""
4263 return _IMP_kernel.RestraintInfo_add_ints(self, key, value)
4265 def get_number_of_ints(self):
4266 r"""get_number_of_ints(RestraintInfo self) -> unsigned int"""
4267 return _IMP_kernel.RestraintInfo_get_number_of_ints(self)
4269 def get_ints_key(self, i):
4270 r"""get_ints_key(RestraintInfo self, unsigned int i) -> std::string"""
4271 return _IMP_kernel.RestraintInfo_get_ints_key(self, i)
4273 def get_ints_value(self, i):
4274 r"""get_ints_value(RestraintInfo self, unsigned int i) -> IMP::Ints"""
4275 return _IMP_kernel.RestraintInfo_get_ints_value(self, i)
4277 def add_strings(self, key, value):
4278 r"""add_strings(RestraintInfo self, std::string key, IMP::Strings value)"""
4279 return _IMP_kernel.RestraintInfo_add_strings(self, key, value)
4281 def get_number_of_strings(self):
4282 r"""get_number_of_strings(RestraintInfo self) -> unsigned int"""
4283 return _IMP_kernel.RestraintInfo_get_number_of_strings(self)
4285 def get_strings_key(self, i):
4286 r"""get_strings_key(RestraintInfo self, unsigned int i) -> std::string"""
4287 return _IMP_kernel.RestraintInfo_get_strings_key(self, i)
4289 def get_strings_value(self, i):
4290 r"""get_strings_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4291 return _IMP_kernel.RestraintInfo_get_strings_value(self, i)
4293 def add_filenames(self, key, value):
4294 r"""add_filenames(RestraintInfo self, std::string key, IMP::Strings value)"""
4295 return _IMP_kernel.RestraintInfo_add_filenames(self, key, value)
4297 def get_number_of_filenames(self):
4298 r"""get_number_of_filenames(RestraintInfo self) -> unsigned int"""
4299 return _IMP_kernel.RestraintInfo_get_number_of_filenames(self)
4301 def get_filenames_key(self, i):
4302 r"""get_filenames_key(RestraintInfo self, unsigned int i) -> std::string"""
4303 return _IMP_kernel.RestraintInfo_get_filenames_key(self, i)
4305 def get_filenames_value(self, i):
4306 r"""get_filenames_value(RestraintInfo self, unsigned int i) -> IMP::Strings"""
4307 return _IMP_kernel.RestraintInfo_get_filenames_value(self, i)
4309 def add_particle_indexes(self, key, value):
4310 r"""add_particle_indexes(RestraintInfo self, std::string key, IMP::ParticleIndexes value)"""
4311 return _IMP_kernel.RestraintInfo_add_particle_indexes(self, key, value)
4313 def get_number_of_particle_indexes(self):
4314 r"""get_number_of_particle_indexes(RestraintInfo self) -> unsigned int"""
4315 return _IMP_kernel.RestraintInfo_get_number_of_particle_indexes(self)
4317 def get_particle_indexes_key(self, i):
4318 r"""get_particle_indexes_key(RestraintInfo self, unsigned int i) -> std::string"""
4319 return _IMP_kernel.RestraintInfo_get_particle_indexes_key(self, i)
4321 def get_particle_indexes_value(self, i):
4322 r"""get_particle_indexes_value(RestraintInfo self, unsigned int i) -> IMP::ParticleIndexes"""
4323 return _IMP_kernel.RestraintInfo_get_particle_indexes_value(self, i)
4326 r"""get_version_info(RestraintInfo self) -> VersionInfo"""
4327 return _IMP_kernel.RestraintInfo_get_version_info(self)
4328 __swig_destroy__ = _IMP_kernel.delete_RestraintInfo
4331 r"""__str__(RestraintInfo self) -> std::string"""
4332 return _IMP_kernel.RestraintInfo___str__(self)
4335 r"""__repr__(RestraintInfo self) -> std::string"""
4336 return _IMP_kernel.RestraintInfo___repr__(self)
4340 return _object_cast_to_RestraintInfo(o)
4344 _IMP_kernel.RestraintInfo_swigregister(RestraintInfo)
4345 class Restraint(ModelObject):
4346 r"""Proxy of C++ IMP::Restraint class."""
4348 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4350 def __init__(self, *args):
4352 __init__(Restraint self, Model m, std::string name) -> Restraint
4353 __init__(Restraint self) -> Restraint
4355 if self.__class__ == Restraint:
4359 _IMP_kernel.Restraint_swiginit(self, _IMP_kernel.new_Restraint(_self, *args))
4361 if self.__class__ != Restraint:
4362 _director_objects.register(self)
4367 def get_score(self):
4368 r"""get_score(Restraint self) -> double"""
4369 return _IMP_kernel.Restraint_get_score(self)
4371 def evaluate(self, calc_derivs):
4372 r"""evaluate(Restraint self, bool calc_derivs) -> double"""
4373 return _IMP_kernel.Restraint_evaluate(self, calc_derivs)
4375 def evaluate_moved(self, calc_derivs, moved_pis, reset_pis):
4376 r"""evaluate_moved(Restraint self, bool calc_derivs, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4377 return _IMP_kernel.Restraint_evaluate_moved(self, calc_derivs, moved_pis, reset_pis)
4379 def evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max):
4380 r"""evaluate_moved_if_below(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4381 return _IMP_kernel.Restraint_evaluate_moved_if_below(self, calc_derivatives, moved_pis, reset_pis, max)
4383 def evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis):
4384 r"""evaluate_moved_if_good(Restraint self, bool calc_derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4385 return _IMP_kernel.Restraint_evaluate_moved_if_good(self, calc_derivatives, moved_pis, reset_pis)
4387 def evaluate_if_good(self, calc_derivatives):
4388 r"""evaluate_if_good(Restraint self, bool calc_derivatives) -> double"""
4389 return _IMP_kernel.Restraint_evaluate_if_good(self, calc_derivatives)
4391 def evaluate_if_below(self, calc_derivatives, max):
4392 r"""evaluate_if_below(Restraint self, bool calc_derivatives, double max) -> double"""
4393 return _IMP_kernel.Restraint_evaluate_if_below(self, calc_derivatives, max)
4395 def unprotected_evaluate(self, da):
4396 r"""unprotected_evaluate(Restraint self, DerivativeAccumulator da) -> double"""
4397 return _IMP_kernel.Restraint_unprotected_evaluate(self, da)
4399 def unprotected_evaluate_moved(self, da, moved_pis, reset_pis):
4400 r"""unprotected_evaluate_moved(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
4401 return _IMP_kernel.Restraint_unprotected_evaluate_moved(self, da, moved_pis, reset_pis)
4403 def unprotected_evaluate_if_good(self, da, max):
4404 r"""unprotected_evaluate_if_good(Restraint self, DerivativeAccumulator da, double max) -> double"""
4405 return _IMP_kernel.Restraint_unprotected_evaluate_if_good(self, da, max)
4407 def unprotected_evaluate_if_below(self, da, max):
4408 r"""unprotected_evaluate_if_below(Restraint self, DerivativeAccumulator da, double max) -> double"""
4409 return _IMP_kernel.Restraint_unprotected_evaluate_if_below(self, da, max)
4411 def unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max):
4412 r"""unprotected_evaluate_moved_if_below(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4413 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_below(self, da, moved_pis, reset_pis, max)
4415 def unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max):
4416 r"""unprotected_evaluate_moved_if_good(Restraint self, DerivativeAccumulator da, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
4417 return _IMP_kernel.Restraint_unprotected_evaluate_moved_if_good(self, da, moved_pis, reset_pis, max)
4419 def get_static_info(self):
4420 r"""get_static_info(Restraint self) -> RestraintInfo"""
4421 return _IMP_kernel.Restraint_get_static_info(self)
4423 def get_dynamic_info(self):
4424 r"""get_dynamic_info(Restraint self) -> RestraintInfo"""
4425 return _IMP_kernel.Restraint_get_dynamic_info(self)
4427 def add_score_and_derivatives(self, sa):
4428 r"""add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4429 return _IMP_kernel.Restraint_add_score_and_derivatives(self, sa)
4431 def add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4432 r"""add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4433 return _IMP_kernel.Restraint_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4436 r"""create_decomposition(Restraint self) -> Restraint"""
4437 return _IMP_kernel.Restraint_create_decomposition(self)
4439 def create_current_decomposition(self):
4440 r"""create_current_decomposition(Restraint self) -> Restraint"""
4441 return _IMP_kernel.Restraint_create_current_decomposition(self)
4443 def set_weight(self, weight):
4444 r"""set_weight(Restraint self, IMP::Float weight)"""
4445 return _IMP_kernel.Restraint_set_weight(self, weight)
4447 def get_weight(self):
4448 r"""get_weight(Restraint self) -> IMP::Float"""
4449 return _IMP_kernel.Restraint_get_weight(self)
4451 def get_maximum_score(self):
4452 r"""get_maximum_score(Restraint self) -> double"""
4453 return _IMP_kernel.Restraint_get_maximum_score(self)
4455 def set_maximum_score(self, s):
4456 r"""set_maximum_score(Restraint self, double s)"""
4457 return _IMP_kernel.Restraint_set_maximum_score(self, s)
4460 r"""create_scoring_function(Restraint self, double weight=1.0, double max=NO_MAX) -> ScoringFunction"""
4461 return _IMP_kernel.Restraint_create_scoring_function(self, *args)
4463 def set_last_score(self, s):
4464 r"""set_last_score(Restraint self, double s)"""
4465 return _IMP_kernel.Restraint_set_last_score(self, s)
4467 def set_last_last_score(self, s):
4468 r"""set_last_last_score(Restraint self, double s)"""
4469 return _IMP_kernel.Restraint_set_last_last_score(self, s)
4471 def get_last_score(self):
4472 r"""get_last_score(Restraint self) -> double"""
4473 return _IMP_kernel.Restraint_get_last_score(self)
4475 def get_last_last_score(self):
4476 r"""get_last_last_score(Restraint self) -> double"""
4477 return _IMP_kernel.Restraint_get_last_last_score(self)
4479 def get_is_aggregate(self):
4480 r"""get_is_aggregate(Restraint self) -> bool"""
4481 return _IMP_kernel.Restraint_get_is_aggregate(self)
4483 def get_was_good(self):
4484 r"""get_was_good(Restraint self) -> bool"""
4485 return _IMP_kernel.Restraint_get_was_good(self)
4486 __swig_destroy__ = _IMP_kernel.delete_Restraint
4488 def do_create_decomposition(self):
4489 r"""do_create_decomposition(Restraint self) -> IMP::Restraints"""
4490 return _IMP_kernel.Restraint_do_create_decomposition(self)
4492 def do_create_current_decomposition(self):
4493 r"""do_create_current_decomposition(Restraint self) -> IMP::Restraints"""
4494 return _IMP_kernel.Restraint_do_create_current_decomposition(self)
4496 def do_add_score_and_derivatives(self, sa):
4497 r"""do_add_score_and_derivatives(Restraint self, ScoreAccumulator sa)"""
4498 return _IMP_kernel.Restraint_do_add_score_and_derivatives(self, sa)
4500 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4501 r"""do_add_score_and_derivatives_moved(Restraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4502 return _IMP_kernel.Restraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4504 def do_get_outputs(self):
4505 r"""do_get_outputs(Restraint self) -> IMP::ModelObjectsTemp"""
4506 return _IMP_kernel.Restraint_do_get_outputs(self)
4507 is_aggregate_ = property(_IMP_kernel.Restraint_is_aggregate__get, _IMP_kernel.Restraint_is_aggregate__set, doc=
r"""is_aggregate_ : bool""")
4510 r"""__str__(Restraint self) -> std::string"""
4511 return _IMP_kernel.Restraint___str__(self)
4514 r"""__repr__(Restraint self) -> std::string"""
4515 return _IMP_kernel.Restraint___repr__(self)
4519 return _object_cast_to_Restraint(o)
4522 def do_show(self, out):
4527 return _object_cast_to_Restraint(o)
4530 def _wrap_jax(self, score_func, keys=None):
4531 """Create the return value for _get_jax.
4532 Use this method in _get_jax() to wrap the JAX scoring function
4533 with other model- and restraint-specific information.
4535 @param score_func A function implemented using JAX that takes
4536 a single argument (the current JAX Model) and returns
4537 the score of the restraint.
4538 @param keys If given, a set of IMP::Key objects describing Model
4539 attributes (other than xyz and radius) that the restraint
4540 uses. For example, a restraint that uses electrostatic charge
4541 would pass IMP::atom::Charged::get_charge_key() here.
4543 from IMP._jax_util
import JAXRestraintInfo
4544 return JAXRestraintInfo(m=self.get_model(), score_func=score_func,
4545 weight=self.get_weight(), keys=keys)
4548 """Return a JAX implementation of this Restraint.
4549 Implement this method in a Restraint subclass to provide
4550 an equivalent function using [JAX](https://docs.jax.dev/)
4551 that scores the current JAX Model. See also _wrap_jax.
4553 raise NotImplementedError(
4554 f
"No JAX implementation for {self} ({type(self)})")
4556 def _evaluate_jax(self):
4557 """Similar to evaluate(False), but using JAX.
4558 This is intended to be useful for testing purposes. It will likely
4559 not be particularly fast as it will copy the IMP Model and
4560 jax.jit-compile the scoring function each time."""
4562 ji = self._get_jax()
4563 jm = ji.get_jax_model()
4564 j = jax.jit(ji.score_func)
4567 def __disown__(self):
4569 _IMP_kernel.disown_Restraint(self)
4570 return weakref.proxy(self)
4573 r"""do_destroy(Restraint self)"""
4574 return _IMP_kernel.Restraint_do_destroy(self)
4576 def handle_set_has_required_score_states(self, arg0):
4577 r"""handle_set_has_required_score_states(Restraint self, bool arg0)"""
4578 return _IMP_kernel.Restraint_handle_set_has_required_score_states(self, arg0)
4580 def do_get_inputs(self):
4581 r"""do_get_inputs(Restraint self) -> IMP::ModelObjectsTemp"""
4582 return _IMP_kernel.Restraint_do_get_inputs(self)
4584 def do_get_interactions(self):
4585 r"""do_get_interactions(Restraint self) -> IMP::ModelObjectsTemps"""
4586 return _IMP_kernel.Restraint_do_get_interactions(self)
4589 _IMP_kernel.Restraint_swigregister(Restraint)
4590 class _RestraintsAdaptor(_InputAdaptor):
4591 r"""Proxy of C++ IMP::RestraintsAdaptor class."""
4593 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4594 __repr__ = _swig_repr
4596 def __init__(self, *args):
4598 __init__(_RestraintsAdaptor self) -> _RestraintsAdaptor
4599 __init__(_RestraintsAdaptor self, IMP::Restraints const & sf) -> _RestraintsAdaptor
4600 __init__(_RestraintsAdaptor self, IMP::RestraintsTemp const & sf) -> _RestraintsAdaptor
4601 __init__(_RestraintsAdaptor self, Restraint sf) -> _RestraintsAdaptor
4603 _IMP_kernel._RestraintsAdaptor_swiginit(self, _IMP_kernel.new__RestraintsAdaptor(*args))
4604 __swig_destroy__ = _IMP_kernel.delete__RestraintsAdaptor
4607 _IMP_kernel._RestraintsAdaptor_swigregister(_RestraintsAdaptor)
4608 class RestraintSet(Restraint):
4609 r"""Proxy of C++ IMP::RestraintSet class."""
4611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4613 def __init__(self, *args):
4615 __init__(RestraintSet self, Model m, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4616 __init__(RestraintSet self, Model m, std::string const & name="RestraintSet %1%") -> RestraintSet
4617 __init__(RestraintSet self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="RestraintSet %1%") -> RestraintSet
4618 __init__(RestraintSet self) -> RestraintSet
4620 if self.__class__ == RestraintSet:
4624 _IMP_kernel.RestraintSet_swiginit(self, _IMP_kernel.new_RestraintSet(_self, *args))
4626 if self.__class__ != RestraintSet:
4627 _director_objects.register(self)
4632 def unprotected_evaluate(self, da):
4633 r"""unprotected_evaluate(RestraintSet self, DerivativeAccumulator da) -> double"""
4634 return _IMP_kernel.RestraintSet_unprotected_evaluate(self, da)
4636 def get_type_name(self):
4637 r"""get_type_name(RestraintSet self) -> std::string"""
4638 return _IMP_kernel.RestraintSet_get_type_name(self)
4641 r"""get_version_info(RestraintSet self) -> VersionInfo"""
4642 return _IMP_kernel.RestraintSet_get_version_info(self)
4643 __swig_destroy__ = _IMP_kernel.delete_RestraintSet
4644 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)
4645 def __set_restraints(self, obj): _list_util.set_varlist(self.restraints, obj)
4646 def __del_restraints(self): _list_util.del_varlist(self.restraints)
4647 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
4649 def remove_restraint(self, d):
4650 r"""remove_restraint(RestraintSet self, Restraint d)"""
4651 return _IMP_kernel.RestraintSet_remove_restraint(self, d)
4653 def _python_index_restraint(self, d, start, stop):
4654 r"""_python_index_restraint(RestraintSet self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
4655 return _IMP_kernel.RestraintSet__python_index_restraint(self, d, start, stop)
4657 def remove_restraints(self, d):
4658 r"""remove_restraints(RestraintSet self, IMP::Restraints const & d)"""
4659 return _IMP_kernel.RestraintSet_remove_restraints(self, d)
4661 def set_restraints(self, ps):
4662 r"""set_restraints(RestraintSet self, IMP::Restraints const & ps)"""
4663 return _IMP_kernel.RestraintSet_set_restraints(self, ps)
4665 def set_restraints_order(self, objs):
4666 r"""set_restraints_order(RestraintSet self, IMP::Restraints const & objs)"""
4667 return _IMP_kernel.RestraintSet_set_restraints_order(self, objs)
4670 r"""add_restraint(RestraintSet self, Restraint obj) -> unsigned int"""
4671 return _IMP_kernel.RestraintSet_add_restraint(self, obj)
4674 r"""add_restraints(RestraintSet self, IMP::Restraints const & objs)"""
4675 return _IMP_kernel.RestraintSet_add_restraints(self, objs)
4677 def clear_restraints(self):
4678 r"""clear_restraints(RestraintSet self)"""
4679 return _IMP_kernel.RestraintSet_clear_restraints(self)
4681 def get_number_of_restraints(self):
4682 r"""get_number_of_restraints(RestraintSet self) -> unsigned int"""
4683 return _IMP_kernel.RestraintSet_get_number_of_restraints(self)
4685 def get_has_restraints(self):
4686 r"""get_has_restraints(RestraintSet self) -> bool"""
4687 return _IMP_kernel.RestraintSet_get_has_restraints(self)
4689 def get_restraint(self, i):
4690 r"""get_restraint(RestraintSet self, unsigned int i) -> Restraint"""
4691 return _IMP_kernel.RestraintSet_get_restraint(self, i)
4693 def get_restraints(self):
4694 r"""get_restraints(RestraintSet self) -> IMP::Restraints"""
4695 return _IMP_kernel.RestraintSet_get_restraints(self)
4697 def erase_restraint(self, i):
4698 r"""erase_restraint(RestraintSet self, unsigned int i)"""
4699 return _IMP_kernel.RestraintSet_erase_restraint(self, i)
4701 def reserve_restraints(self, sz):
4702 r"""reserve_restraints(RestraintSet self, unsigned int sz)"""
4703 return _IMP_kernel.RestraintSet_reserve_restraints(self, sz)
4705 def get_non_sets_and_sets(self):
4706 r"""get_non_sets_and_sets(RestraintSet self) -> std::pair< IMP::RestraintsTemp,IMP::RestraintSetsTemp >"""
4707 return _IMP_kernel.RestraintSet_get_non_sets_and_sets(self)
4709 def do_get_inputs(self):
4710 r"""do_get_inputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4711 return _IMP_kernel.RestraintSet_do_get_inputs(self)
4714 r"""create_scoring_function(RestraintSet self, double weight=1.0, double max=std::numeric_limits< double >::max()) -> ScoringFunction"""
4715 return _IMP_kernel.RestraintSet_create_scoring_function(self, *args)
4717 def get_last_score(self):
4718 r"""get_last_score(RestraintSet self) -> double"""
4719 return _IMP_kernel.RestraintSet_get_last_score(self)
4722 r"""__str__(RestraintSet self) -> std::string"""
4723 return _IMP_kernel.RestraintSet___str__(self)
4726 r"""__repr__(RestraintSet self) -> std::string"""
4727 return _IMP_kernel.RestraintSet___repr__(self)
4731 return _object_cast_to_RestraintSet(o)
4734 def do_show(self, out):
4739 return _object_cast_to_RestraintSet(o)
4742 def _get_as_binary(self):
4743 r"""_get_as_binary(RestraintSet self) -> PyObject *"""
4744 return _IMP_kernel.RestraintSet__get_as_binary(self)
4746 def _set_from_binary(self, p):
4747 r"""_set_from_binary(RestraintSet self, PyObject * p)"""
4748 return _IMP_kernel.RestraintSet__set_from_binary(self, p)
4750 def __getstate__(self):
4751 p = self._get_as_binary()
4752 if len(self.__dict__) > 1:
4753 d = self.__dict__.copy()
4758 def __setstate__(self, p):
4759 if not hasattr(self,
'this'):
4761 if isinstance(p, tuple):
4763 self.__dict__.update(d)
4764 return self._set_from_binary(p)
4768 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
4769 funcs = [j.score_func
for j
in jis]
4770 keys = frozenset(x
for j
in jis
for x
in j._keys)
4773 return sum(f(jm)
for f
in funcs)
4777 return self._wrap_jax(jax_sf, keys=keys)
4779 def __disown__(self):
4781 _IMP_kernel.disown_RestraintSet(self)
4782 return weakref.proxy(self)
4785 r"""do_destroy(RestraintSet self)"""
4786 return _IMP_kernel.RestraintSet_do_destroy(self)
4788 def handle_set_has_required_score_states(self, arg0):
4789 r"""handle_set_has_required_score_states(RestraintSet self, bool arg0)"""
4790 return _IMP_kernel.RestraintSet_handle_set_has_required_score_states(self, arg0)
4792 def do_get_outputs(self):
4793 r"""do_get_outputs(RestraintSet self) -> IMP::ModelObjectsTemp"""
4794 return _IMP_kernel.RestraintSet_do_get_outputs(self)
4796 def do_get_interactions(self):
4797 r"""do_get_interactions(RestraintSet self) -> IMP::ModelObjectsTemps"""
4798 return _IMP_kernel.RestraintSet_do_get_interactions(self)
4800 def do_create_decomposition(self):
4801 r"""do_create_decomposition(RestraintSet self) -> IMP::Restraints"""
4802 return _IMP_kernel.RestraintSet_do_create_decomposition(self)
4804 def do_create_current_decomposition(self):
4805 r"""do_create_current_decomposition(RestraintSet self) -> IMP::Restraints"""
4806 return _IMP_kernel.RestraintSet_do_create_current_decomposition(self)
4808 def do_add_score_and_derivatives(self, sa):
4809 r"""do_add_score_and_derivatives(RestraintSet self, ScoreAccumulator sa)"""
4810 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives(self, sa)
4812 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
4813 r"""do_add_score_and_derivatives_moved(RestraintSet self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
4814 return _IMP_kernel.RestraintSet_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
4817 _IMP_kernel.RestraintSet_swigregister(RestraintSet)
4819 def get_restraints(rs):
4820 r"""get_restraints(IMP::RestraintsTemp const & rs) -> IMP::RestraintsTemp"""
4821 return _IMP_kernel.get_restraints(rs)
4823 def _check_particle(p, a):
4824 if (
not p.get_is_active()):
4825 raise ValueError(
"Inactive Particle")
4826 if (type(a)() == a):
4827 raise IndexError(
"Cannot use default Index")
4828 if (
not p.has_attribute(a)):
4829 raise IndexError(
"Particle does not have attribute")
4831 class Particle(ModelObject):
4832 r"""Proxy of C++ IMP::Particle class."""
4834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4837 r"""get_version_info(Particle self) -> VersionInfo"""
4838 return _IMP_kernel.Particle_get_version_info(self)
4839 __swig_destroy__ = _IMP_kernel.delete_Particle
4841 def __init__(self, *args):
4843 __init__(Particle self, Model m, std::string name) -> Particle
4844 __init__(Particle self, Model m) -> Particle
4845 __init__(Particle self) -> Particle
4847 _IMP_kernel.Particle_swiginit(self, _IMP_kernel.new_Particle(*args))
4849 def get_float_keys(self):
4850 r"""get_float_keys(Particle self) -> IMP::FloatKeys"""
4851 return _IMP_kernel.Particle_get_float_keys(self)
4853 def get_floats_keys(self):
4854 r"""get_floats_keys(Particle self) -> IMP::FloatsKeys"""
4855 return _IMP_kernel.Particle_get_floats_keys(self)
4857 def get_int_keys(self):
4858 r"""get_int_keys(Particle self) -> IMP::IntKeys"""
4859 return _IMP_kernel.Particle_get_int_keys(self)
4861 def get_ints_keys(self):
4862 r"""get_ints_keys(Particle self) -> IMP::IntsKeys"""
4863 return _IMP_kernel.Particle_get_ints_keys(self)
4865 def get_string_keys(self):
4866 r"""get_string_keys(Particle self) -> IMP::StringKeys"""
4867 return _IMP_kernel.Particle_get_string_keys(self)
4869 def get_object_keys(self):
4870 r"""get_object_keys(Particle self) -> IMP::ObjectKeys"""
4871 return _IMP_kernel.Particle_get_object_keys(self)
4873 def add_cache_attribute(self, *args):
4875 add_cache_attribute(Particle self, FloatKey name, IMP::Float value)
4876 add_cache_attribute(Particle self, FloatsKey name, IMP::Floats value)
4877 add_cache_attribute(Particle self, IntKey name, IMP::Int value)
4878 add_cache_attribute(Particle self, IntsKey name, IMP::Ints value)
4879 add_cache_attribute(Particle self, StringKey name, IMP::String value)
4880 add_cache_attribute(Particle self, ObjectKey name, Object value)
4881 add_cache_attribute(Particle self, IMP::WeakObjectKey name, Object value)
4883 return _IMP_kernel.Particle_add_cache_attribute(self, *args)
4885 def get_weak_object_keys(self):
4886 r"""get_weak_object_keys(Particle self) -> IMP::WeakObjectKeys"""
4887 return _IMP_kernel.Particle_get_weak_object_keys(self)
4889 def add_to_derivative(self, key, value, da):
4890 r"""add_to_derivative(Particle self, FloatKey key, IMP::Float value, DerivativeAccumulator da)"""
4891 return _IMP_kernel.Particle_add_to_derivative(self, key, value, da)
4893 def set_is_optimized(self, k, tf):
4894 r"""set_is_optimized(Particle self, FloatKey k, bool tf)"""
4895 return _IMP_kernel.Particle_set_is_optimized(self, k, tf)
4897 def get_is_optimized(self, k):
4898 r"""get_is_optimized(Particle self, FloatKey k) -> bool"""
4899 return _IMP_kernel.Particle_get_is_optimized(self, k)
4901 def get_derivative(self, k):
4902 r"""get_derivative(Particle self, FloatKey k) -> IMP::Float"""
4903 return _IMP_kernel.Particle_get_derivative(self, k)
4905 def add_attribute(self, *args):
4907 add_attribute(Particle self, FloatKey name, IMP::Float initial_value)
4908 add_attribute(Particle self, FloatsKey name, IMP::Floats initial_value)
4909 add_attribute(Particle self, IntKey name, IMP::Int initial_value)
4910 add_attribute(Particle self, IntsKey name, IMP::Ints initial_value)
4911 add_attribute(Particle self, StringKey name, IMP::String initial_value)
4912 add_attribute(Particle self, ObjectKey name, Object initial_value)
4913 add_attribute(Particle self, IMP::WeakObjectKey name, Object initial_value)
4914 add_attribute(Particle self, SparseStringKey name, IMP::String initial_value)
4915 add_attribute(Particle self, SparseIntKey name, IMP::Int initial_value)
4916 add_attribute(Particle self, SparseFloatKey name, IMP::Float initial_value)
4917 add_attribute(Particle self, SparseParticleIndexKey name, ParticleIndex initial_value)
4918 add_attribute(Particle self, FloatKey name, IMP::Float const initial_value, bool optimized)
4919 add_attribute(Particle self, ParticleIndexKey k, Particle v)
4921 return _IMP_kernel.Particle_add_attribute(self, *args)
4923 def has_attribute(self, *args):
4925 has_attribute(Particle self, FloatKey name) -> bool
4926 has_attribute(Particle self, FloatsKey name) -> bool
4927 has_attribute(Particle self, IntKey name) -> bool
4928 has_attribute(Particle self, IntsKey name) -> bool
4929 has_attribute(Particle self, StringKey name) -> bool
4930 has_attribute(Particle self, ObjectKey name) -> bool
4931 has_attribute(Particle self, IMP::WeakObjectKey name) -> bool
4932 has_attribute(Particle self, SparseStringKey name) -> bool
4933 has_attribute(Particle self, SparseIntKey name) -> bool
4934 has_attribute(Particle self, SparseFloatKey name) -> bool
4935 has_attribute(Particle self, SparseParticleIndexKey name) -> bool
4936 has_attribute(Particle self, ParticleIndexKey k) -> bool
4938 return _IMP_kernel.Particle_has_attribute(self, *args)
4940 def set_value(self, *args):
4942 set_value(Particle self, FloatKey name, IMP::Float value)
4943 set_value(Particle self, FloatsKey name, IMP::Floats value)
4944 set_value(Particle self, IntKey name, IMP::Int value)
4945 set_value(Particle self, IntsKey name, IMP::Ints value)
4946 set_value(Particle self, StringKey name, IMP::String value)
4947 set_value(Particle self, ObjectKey name, Object value)
4948 set_value(Particle self, IMP::WeakObjectKey name, Object value)
4949 set_value(Particle self, SparseStringKey name, IMP::String value)
4950 set_value(Particle self, SparseIntKey name, IMP::Int value)
4951 set_value(Particle self, SparseFloatKey name, IMP::Float value)
4952 set_value(Particle self, SparseParticleIndexKey name, ParticleIndex value)
4953 set_value(Particle self, ParticleIndexKey k, Particle v)
4955 return _IMP_kernel.Particle_set_value(self, *args)
4957 def get_value(self, *args):
4959 get_value(Particle self, FloatKey name) -> IMP::Float
4960 get_value(Particle self, FloatsKey name) -> IMP::Floats
4961 get_value(Particle self, IntKey name) -> IMP::Int
4962 get_value(Particle self, IntsKey name) -> IMP::Ints
4963 get_value(Particle self, StringKey name) -> IMP::String
4964 get_value(Particle self, ObjectKey name) -> Object
4965 get_value(Particle self, IMP::WeakObjectKey name) -> Object
4966 get_value(Particle self, SparseStringKey name) -> IMP::String
4967 get_value(Particle self, SparseIntKey name) -> IMP::Int
4968 get_value(Particle self, SparseFloatKey name) -> IMP::Float
4969 get_value(Particle self, SparseParticleIndexKey name) -> ParticleIndex
4970 get_value(Particle self, ParticleIndexKey k) -> Particle
4972 return _IMP_kernel.Particle_get_value(self, *args)
4974 def remove_attribute(self, *args):
4976 remove_attribute(Particle self, FloatKey name)
4977 remove_attribute(Particle self, FloatsKey name)
4978 remove_attribute(Particle self, IntKey name)
4979 remove_attribute(Particle self, IntsKey name)
4980 remove_attribute(Particle self, StringKey name)
4981 remove_attribute(Particle self, ObjectKey name)
4982 remove_attribute(Particle self, IMP::WeakObjectKey name)
4983 remove_attribute(Particle self, SparseStringKey name)
4984 remove_attribute(Particle self, SparseIntKey name)
4985 remove_attribute(Particle self, SparseFloatKey name)
4986 remove_attribute(Particle self, SparseParticleIndexKey name)
4987 remove_attribute(Particle self, ParticleIndexKey k)
4989 return _IMP_kernel.Particle_remove_attribute(self, *args)
4991 def get_particle_keys(self):
4992 r"""get_particle_keys(Particle self) -> IMP::ParticleIndexKeys"""
4993 return _IMP_kernel.Particle_get_particle_keys(self)
4995 def show(self, *args):
4996 r"""show(Particle self, _ostream out=std::cout)"""
4997 return _IMP_kernel.Particle_show(self, *args)
4999 def get_is_active(self):
5000 r"""get_is_active(Particle self) -> bool"""
5001 return _IMP_kernel.Particle_get_is_active(self)
5004 r"""get_index(Particle self) -> ParticleIndex"""
5005 return _IMP_kernel.Particle_get_index(self)
5007 def __eq__(self, *args):
5009 __eq__(Particle self, Particle o) -> bool
5010 __eq__(Particle self, Decorator d) -> bool
5012 return _IMP_kernel.Particle___eq__(self, *args)
5014 def __ne__(self, *args):
5016 __ne__(Particle self, Particle o) -> bool
5017 __ne__(Particle self, Decorator d) -> bool
5019 return _IMP_kernel.Particle___ne__(self, *args)
5021 def __le__(self, *args):
5023 __le__(Particle self, Particle o) -> bool
5024 __le__(Particle self, Decorator d) -> bool
5026 return _IMP_kernel.Particle___le__(self, *args)
5028 def __lt__(self, *args):
5030 __lt__(Particle self, Particle o) -> bool
5031 __lt__(Particle self, Decorator d) -> bool
5033 return _IMP_kernel.Particle___lt__(self, *args)
5035 def __ge__(self, *args):
5037 __ge__(Particle self, Particle o) -> bool
5038 __ge__(Particle self, Decorator d) -> bool
5040 return _IMP_kernel.Particle___ge__(self, *args)
5042 def __gt__(self, *args):
5044 __gt__(Particle self, Particle o) -> bool
5045 __gt__(Particle self, Decorator d) -> bool
5047 return _IMP_kernel.Particle___gt__(self, *args)
5049 __hash__ = ModelObject.__hash__
5053 r"""__str__(Particle self) -> std::string"""
5054 return _IMP_kernel.Particle___str__(self)
5057 r"""__repr__(Particle self) -> std::string"""
5058 return _IMP_kernel.Particle___repr__(self)
5062 return _object_cast_to_Particle(o)
5065 def _get_as_binary(self):
5066 r"""_get_as_binary(Particle self) -> PyObject *"""
5067 return _IMP_kernel.Particle__get_as_binary(self)
5069 def _set_from_binary(self, p):
5070 r"""_set_from_binary(Particle self, PyObject * p)"""
5071 return _IMP_kernel.Particle__set_from_binary(self, p)
5073 def __getstate__(self):
5074 p = self._get_as_binary()
5075 if len(self.__dict__) > 1:
5076 d = self.__dict__.copy()
5081 def __setstate__(self, p):
5082 if not hasattr(self,
'this'):
5084 if isinstance(p, tuple):
5086 self.__dict__.update(d)
5087 return self._set_from_binary(p)
5091 _IMP_kernel.Particle_swigregister(Particle)
5092 class _ParticleAdaptor(_InputAdaptor):
5093 r"""Proxy of C++ IMP::ParticleAdaptor class."""
5095 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5096 __repr__ = _swig_repr
5098 def __init__(self, *args):
5100 __init__(_ParticleAdaptor self) -> _ParticleAdaptor
5101 __init__(_ParticleAdaptor self, Particle p) -> _ParticleAdaptor
5102 __init__(_ParticleAdaptor self, Decorator d) -> _ParticleAdaptor
5104 _IMP_kernel._ParticleAdaptor_swiginit(self, _IMP_kernel.new__ParticleAdaptor(*args))
5106 def get_model(self):
5107 r"""get_model(_ParticleAdaptor self) -> Model"""
5108 return _IMP_kernel._ParticleAdaptor_get_model(self)
5110 def get_particle_index(self):
5111 r"""get_particle_index(_ParticleAdaptor self) -> ParticleIndex"""
5112 return _IMP_kernel._ParticleAdaptor_get_particle_index(self)
5113 __swig_destroy__ = _IMP_kernel.delete__ParticleAdaptor
5116 _IMP_kernel._ParticleAdaptor_swigregister(_ParticleAdaptor)
5117 class _DependencyGraphVertexIndex(object):
5118 r"""Proxy of C++ IMP::DependencyGraphVertexIndex class."""
5120 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5121 __repr__ = _swig_repr
5124 r"""__init__(_DependencyGraphVertexIndex self) -> _DependencyGraphVertexIndex"""
5125 _IMP_kernel._DependencyGraphVertexIndex_swiginit(self, _IMP_kernel.new__DependencyGraphVertexIndex())
5126 __swig_destroy__ = _IMP_kernel.delete__DependencyGraphVertexIndex
5129 _IMP_kernel._DependencyGraphVertexIndex_swigregister(_DependencyGraphVertexIndex)
5131 def show_as_graphviz(name, out):
5132 r"""show_as_graphviz(IMP::DependencyGraph const & name, TextOutput out)"""
5133 return _IMP_kernel.show_as_graphviz(name, out)
5135 def get_vertex_index(g):
5136 r"""get_vertex_index(IMP::DependencyGraph const & g) -> _DependencyGraphVertexIndex"""
5137 return _IMP_kernel.get_vertex_index(g)
5140 r"""get_dependency_graph(Model m) -> IMP::DependencyGraph"""
5141 return _IMP_kernel.get_dependency_graph(m)
5144 r"""get_pruned_dependency_graph(Model m) -> IMP::DependencyGraph"""
5145 return _IMP_kernel.get_pruned_dependency_graph(m)
5147 def get_dependent_particles(p, all, dg, index):
5148 r"""get_dependent_particles(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ParticlesTemp"""
5149 return _IMP_kernel.get_dependent_particles(p, all, dg, index)
5151 def get_required_score_states(*args):
5153 get_required_score_states(IMP::ModelObjectsTemp const & mos, IMP::ScoreStatesTemp exclude=IMP::ScoreStatesTemp()) -> IMP::ScoreStatesTemp
5154 get_required_score_states(ModelObject p, IMP::ModelObjectsTemp const & all, IMP::DependencyGraph const & dg, _DependencyGraphVertexIndex index) -> IMP::ScoreStatesTemp
5155 get_required_score_states(Model m, ParticleIndex pi) -> IMP::ScoreStatesTemp
5157 return _IMP_kernel.get_required_score_states(*args)
5158 class ScoringFunction(ModelObject):
5159 r"""Proxy of C++ IMP::ScoringFunction class."""
5161 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5163 def do_add_score_and_derivatives(self, sa, ss):
5164 r"""do_add_score_and_derivatives(ScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
5165 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives(self, sa, ss)
5167 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
5168 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)"""
5169 return _IMP_kernel.ScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
5171 def get_score_accumulator_if_below(self, deriv, max):
5172 r"""get_score_accumulator_if_below(ScoringFunction self, bool deriv, double max) -> ScoreAccumulator"""
5173 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_below(self, deriv, max)
5175 def get_score_accumulator_if_good(self, deriv):
5176 r"""get_score_accumulator_if_good(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5177 return _IMP_kernel.ScoringFunction_get_score_accumulator_if_good(self, deriv)
5179 def get_score_accumulator(self, deriv):
5180 r"""get_score_accumulator(ScoringFunction self, bool deriv) -> ScoreAccumulator"""
5181 return _IMP_kernel.ScoringFunction_get_score_accumulator(self, deriv)
5183 def __init__(self, *args):
5185 __init__(ScoringFunction self, Model m, std::string name) -> ScoringFunction
5186 __init__(ScoringFunction self) -> ScoringFunction
5188 if self.__class__ == ScoringFunction:
5192 _IMP_kernel.ScoringFunction_swiginit(self, _IMP_kernel.new_ScoringFunction(_self, *args))
5194 if self.__class__ != ScoringFunction:
5195 _director_objects.register(self)
5200 def do_get_outputs(self):
5201 r"""do_get_outputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5202 return _IMP_kernel.ScoringFunction_do_get_outputs(self)
5204 def evaluate(self, derivatives):
5205 r"""evaluate(ScoringFunction self, bool derivatives) -> double"""
5206 return _IMP_kernel.ScoringFunction_evaluate(self, derivatives)
5208 def evaluate_if_good(self, derivatives):
5209 r"""evaluate_if_good(ScoringFunction self, bool derivatives) -> double"""
5210 return _IMP_kernel.ScoringFunction_evaluate_if_good(self, derivatives)
5212 def evaluate_if_below(self, derivatives, max):
5213 r"""evaluate_if_below(ScoringFunction self, bool derivatives, double max) -> double"""
5214 return _IMP_kernel.ScoringFunction_evaluate_if_below(self, derivatives, max)
5216 def evaluate_moved(self, derivatives, moved_pis, reset_pis):
5217 r"""evaluate_moved(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5218 return _IMP_kernel.ScoringFunction_evaluate_moved(self, derivatives, moved_pis, reset_pis)
5220 def evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max):
5221 r"""evaluate_moved_if_below(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, double max) -> double"""
5222 return _IMP_kernel.ScoringFunction_evaluate_moved_if_below(self, derivatives, moved_pis, reset_pis, max)
5224 def evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis):
5225 r"""evaluate_moved_if_good(ScoringFunction self, bool derivatives, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis) -> double"""
5226 return _IMP_kernel.ScoringFunction_evaluate_moved_if_good(self, derivatives, moved_pis, reset_pis)
5228 def get_had_good_score(self):
5229 r"""get_had_good_score(ScoringFunction self) -> bool"""
5230 return _IMP_kernel.ScoringFunction_get_had_good_score(self)
5232 def get_last_score(self):
5233 r"""get_last_score(ScoringFunction self) -> double"""
5234 return _IMP_kernel.ScoringFunction_get_last_score(self)
5237 r"""create_restraints(ScoringFunction self) -> IMP::Restraints"""
5238 return _IMP_kernel.ScoringFunction_create_restraints(self)
5240 def get_single_restraint(self):
5241 r"""get_single_restraint(ScoringFunction self) -> Restraint"""
5242 return _IMP_kernel.ScoringFunction_get_single_restraint(self)
5245 r"""__str__(ScoringFunction self) -> std::string"""
5246 return _IMP_kernel.ScoringFunction___str__(self)
5249 r"""__repr__(ScoringFunction self) -> std::string"""
5250 return _IMP_kernel.ScoringFunction___repr__(self)
5254 return _object_cast_to_ScoringFunction(o)
5257 def do_show(self, out):
5262 return _object_cast_to_ScoringFunction(o)
5266 r = self.get_single_restraint()
5268 raise NotImplementedError(
5269 f
"No JAX implementation for {self} ({type(self)})")
5271 return r.get_derived_object()._get_jax()
5273 def _evaluate_jax(self):
5274 """Similar to evaluate(False), but using JAX.
5275 This is intended to be useful for testing purposes. It will likely
5276 not be particularly fast as it will copy the IMP Model and
5277 jax.jit-compile the scoring function each time."""
5279 ji = self._get_jax()
5280 jm = ji.get_jax_model()
5281 j = jax.jit(ji.score_func)
5284 __swig_destroy__ = _IMP_kernel.delete_ScoringFunction
5285 def __disown__(self):
5287 _IMP_kernel.disown_ScoringFunction(self)
5288 return weakref.proxy(self)
5291 r"""do_destroy(ScoringFunction self)"""
5292 return _IMP_kernel.ScoringFunction_do_destroy(self)
5294 def handle_set_has_required_score_states(self, arg0):
5295 r"""handle_set_has_required_score_states(ScoringFunction self, bool arg0)"""
5296 return _IMP_kernel.ScoringFunction_handle_set_has_required_score_states(self, arg0)
5298 def do_get_inputs(self):
5299 r"""do_get_inputs(ScoringFunction self) -> IMP::ModelObjectsTemp"""
5300 return _IMP_kernel.ScoringFunction_do_get_inputs(self)
5302 def do_get_interactions(self):
5303 r"""do_get_interactions(ScoringFunction self) -> IMP::ModelObjectsTemps"""
5304 return _IMP_kernel.ScoringFunction_do_get_interactions(self)
5307 _IMP_kernel.ScoringFunction_swigregister(ScoringFunction)
5311 create_decomposition(IMP::RestraintsTemp const & rs) -> IMP::Restraints
5312 create_decomposition(ScoringFunction sf) -> IMP::ScoringFunctions
5314 return _IMP_kernel.create_decomposition(*args)
5315 class _ScoringFunctionAdaptor(_InputAdaptor):
5316 r"""Proxy of C++ IMP::ScoringFunctionAdaptor class."""
5318 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5319 __repr__ = _swig_repr
5321 def __init__(self, *args):
5323 __init__(_ScoringFunctionAdaptor self) -> _ScoringFunctionAdaptor
5324 __init__(_ScoringFunctionAdaptor self, ScoringFunction sf) -> _ScoringFunctionAdaptor
5325 __init__(_ScoringFunctionAdaptor self, IMP::RestraintsTemp const & sf) -> _ScoringFunctionAdaptor
5326 __init__(_ScoringFunctionAdaptor self, IMP::Restraints const & sf) -> _ScoringFunctionAdaptor
5327 __init__(_ScoringFunctionAdaptor self, Restraint sf) -> _ScoringFunctionAdaptor
5329 _IMP_kernel._ScoringFunctionAdaptor_swiginit(self, _IMP_kernel.new__ScoringFunctionAdaptor(*args))
5330 __swig_destroy__ = _IMP_kernel.delete__ScoringFunctionAdaptor
5333 _IMP_kernel._ScoringFunctionAdaptor_swigregister(_ScoringFunctionAdaptor)
5336 r"""show_restraint_hierarchy(_ScoringFunctionAdaptor rs, _ostream out=std::cout)"""
5337 return _IMP_kernel.show_restraint_hierarchy(*args)
5338 class Undecorator(
Object):
5339 r"""Proxy of C++ IMP::Undecorator class."""
5341 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5343 def __init__(self, m, name):
5344 r"""__init__(Undecorator self, Model m, std::string name) -> Undecorator"""
5345 if self.__class__ == Undecorator:
5349 _IMP_kernel.Undecorator_swiginit(self, _IMP_kernel.new_Undecorator(_self, m, name))
5351 if self.__class__ != Undecorator:
5352 _director_objects.register(self)
5357 def teardown(self, pi):
5358 r"""teardown(Undecorator self, ParticleIndex pi)"""
5359 return _IMP_kernel.Undecorator_teardown(self, pi)
5362 r"""__str__(Undecorator self) -> std::string"""
5363 return _IMP_kernel.Undecorator___str__(self)
5366 r"""__repr__(Undecorator self) -> std::string"""
5367 return _IMP_kernel.Undecorator___repr__(self)
5371 return _object_cast_to_Undecorator(o)
5374 def do_show(self, out):
5379 return _object_cast_to_Undecorator(o)
5381 __swig_destroy__ = _IMP_kernel.delete_Undecorator
5382 def __disown__(self):
5384 _IMP_kernel.disown_Undecorator(self)
5385 return weakref.proxy(self)
5388 r"""do_destroy(Undecorator self)"""
5389 return _IMP_kernel.Undecorator_do_destroy(self)
5392 _IMP_kernel.Undecorator_swigregister(Undecorator)
5394 r"""Proxy of C++ IMP::Model class."""
5396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5398 def __init__(self, *args):
5399 r"""__init__(Model self, std::string name="Model %1%") -> Model"""
5400 _IMP_kernel.Model_swiginit(self, _IMP_kernel.new_Model(*args))
5402 if self
not in _models_set:
5403 _models_set.add(self)
5408 def clear_particle_caches(self, pi):
5409 r"""clear_particle_caches(Model self, ParticleIndex pi)"""
5410 return _IMP_kernel.Model_clear_particle_caches(self, pi)
5413 r"""add_particle(Model self, std::string name) -> ParticleIndex"""
5414 return _IMP_kernel.Model_add_particle(self, name)
5416 def get_particle_name(self, pi):
5417 r"""get_particle_name(Model self, ParticleIndex pi) -> std::string"""
5418 return _IMP_kernel.Model_get_particle_name(self, pi)
5420 def add_undecorator(self, pi, d):
5421 r"""add_undecorator(Model self, ParticleIndex pi, Undecorator d)"""
5422 return _IMP_kernel.Model_add_undecorator(self, pi, d)
5424 def get_dependent_restraints_uncached(self, pi):
5425 r"""get_dependent_restraints_uncached(Model self, ParticleIndex pi) -> IMP::RestraintsTemp"""
5426 return _IMP_kernel.Model_get_dependent_restraints_uncached(self, pi)
5428 def get_dependent_particles_uncached(self, pi):
5429 r"""get_dependent_particles_uncached(Model self, ParticleIndex pi) -> IMP::ParticlesTemp"""
5430 return _IMP_kernel.Model_get_dependent_particles_uncached(self, pi)
5432 def get_dependent_score_states_uncached(self, pi):
5433 r"""get_dependent_score_states_uncached(Model self, ParticleIndex pi) -> IMP::ScoreStatesTemp"""
5434 return _IMP_kernel.Model_get_dependent_score_states_uncached(self, pi)
5435 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)
5436 def __set_score_states(self, obj): _list_util.set_varlist(self.score_states, obj)
5437 def __del_score_states(self): _list_util.del_varlist(self.score_states)
5438 score_states = property(__get_score_states, __set_score_states, __del_score_states, doc=
"List of ##ucnames")
5440 def remove_score_state(self, d):
5441 r"""remove_score_state(Model self, ScoreState d)"""
5442 return _IMP_kernel.Model_remove_score_state(self, d)
5444 def _python_index_score_state(self, d, start, stop):
5445 r"""_python_index_score_state(Model self, ScoreState d, unsigned int start, unsigned int stop) -> unsigned int"""
5446 return _IMP_kernel.Model__python_index_score_state(self, d, start, stop)
5448 def remove_score_states(self, d):
5449 r"""remove_score_states(Model self, IMP::ScoreStates const & d)"""
5450 return _IMP_kernel.Model_remove_score_states(self, d)
5452 def set_score_states(self, ps):
5453 r"""set_score_states(Model self, IMP::ScoreStates const & ps)"""
5454 return _IMP_kernel.Model_set_score_states(self, ps)
5456 def set_score_states_order(self, objs):
5457 r"""set_score_states_order(Model self, IMP::ScoreStates const & objs)"""
5458 return _IMP_kernel.Model_set_score_states_order(self, objs)
5460 def add_score_state(self, obj):
5461 r"""add_score_state(Model self, ScoreState obj) -> unsigned int"""
5462 return _IMP_kernel.Model_add_score_state(self, obj)
5464 def add_score_states(self, objs):
5465 r"""add_score_states(Model self, IMP::ScoreStates const & objs)"""
5466 return _IMP_kernel.Model_add_score_states(self, objs)
5468 def clear_score_states(self):
5469 r"""clear_score_states(Model self)"""
5470 return _IMP_kernel.Model_clear_score_states(self)
5472 def get_number_of_score_states(self):
5473 r"""get_number_of_score_states(Model self) -> unsigned int"""
5474 return _IMP_kernel.Model_get_number_of_score_states(self)
5476 def get_has_score_states(self):
5477 r"""get_has_score_states(Model self) -> bool"""
5478 return _IMP_kernel.Model_get_has_score_states(self)
5480 def get_score_state(self, i):
5481 r"""get_score_state(Model self, unsigned int i) -> ScoreState"""
5482 return _IMP_kernel.Model_get_score_state(self, i)
5484 def get_score_states(self):
5485 r"""get_score_states(Model self) -> IMP::ScoreStates"""
5486 return _IMP_kernel.Model_get_score_states(self)
5488 def erase_score_state(self, i):
5489 r"""erase_score_state(Model self, unsigned int i)"""
5490 return _IMP_kernel.Model_erase_score_state(self, i)
5492 def reserve_score_states(self, sz):
5493 r"""reserve_score_states(Model self, unsigned int sz)"""
5494 return _IMP_kernel.Model_reserve_score_states(self, sz)
5497 r"""update(Model self)"""
5498 return _IMP_kernel.Model_update(self)
5500 def get_ordered_score_states(self):
5501 r"""get_ordered_score_states(Model self) -> IMP::ScoreStatesTemp"""
5502 return _IMP_kernel.Model_get_ordered_score_states(self)
5504 def add_cache_attribute(self, *args):
5506 add_cache_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5507 add_cache_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5508 add_cache_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5509 add_cache_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5510 add_cache_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5511 add_cache_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5512 add_cache_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5513 add_cache_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5514 add_cache_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5515 add_cache_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5517 return _IMP_kernel.Model_add_cache_attribute(self, *args)
5519 def add_attribute(self, *args):
5521 add_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5522 add_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5523 add_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5524 add_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5525 add_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5526 add_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5527 add_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5528 add_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5529 add_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5530 add_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5531 add_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5532 add_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5533 add_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5534 add_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5536 return _IMP_kernel.Model_add_attribute(self, *args)
5538 def remove_attribute(self, *args):
5540 remove_attribute(Model self, FloatKey attribute_key, ParticleIndex particle)
5541 remove_attribute(Model self, IntKey attribute_key, ParticleIndex particle)
5542 remove_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle)
5543 remove_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle)
5544 remove_attribute(Model self, IntsKey attribute_key, ParticleIndex particle)
5545 remove_attribute(Model self, StringKey attribute_key, ParticleIndex particle)
5546 remove_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle)
5547 remove_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle)
5548 remove_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle)
5549 remove_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle)
5550 remove_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle)
5551 remove_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle)
5552 remove_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle)
5553 remove_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle)
5555 return _IMP_kernel.Model_remove_attribute(self, *args)
5557 def get_has_attribute(self, *args):
5559 get_has_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> bool
5560 get_has_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> bool
5561 get_has_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> bool
5562 get_has_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> bool
5563 get_has_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> bool
5564 get_has_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> bool
5565 get_has_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> bool
5566 get_has_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5567 get_has_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> bool
5568 get_has_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> bool
5569 get_has_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> bool
5570 get_has_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> bool
5571 get_has_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> bool
5572 get_has_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> bool
5574 return _IMP_kernel.Model_get_has_attribute(self, *args)
5576 def set_attribute(self, *args):
5578 set_attribute(Model self, FloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5579 set_attribute(Model self, IntKey attribute_key, ParticleIndex particle, IMP::Int value)
5580 set_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle, IMP::Floats value)
5581 set_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle, IMP::algebra::Vector3D value)
5582 set_attribute(Model self, IntsKey attribute_key, ParticleIndex particle, IMP::Ints value)
5583 set_attribute(Model self, StringKey attribute_key, ParticleIndex particle, IMP::String value)
5584 set_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle, IMP::ParticleIndexes value)
5585 set_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5586 set_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle, Object value)
5587 set_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle, Object value)
5588 set_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle, IMP::String value)
5589 set_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle, IMP::Int value)
5590 set_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle, IMP::Float value)
5591 set_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle, ParticleIndex value)
5593 return _IMP_kernel.Model_set_attribute(self, *args)
5595 def get_attribute(self, *args):
5597 get_attribute(Model self, FloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5598 get_attribute(Model self, IntKey attribute_key, ParticleIndex particle) -> IMP::Int
5599 get_attribute(Model self, FloatsKey attribute_key, ParticleIndex particle) -> IMP::Floats
5600 get_attribute(Model self, Vector3DKey attribute_key, ParticleIndex particle) -> IMP::algebra::Vector3D
5601 get_attribute(Model self, IntsKey attribute_key, ParticleIndex particle) -> IMP::Ints
5602 get_attribute(Model self, StringKey attribute_key, ParticleIndex particle) -> IMP::String
5603 get_attribute(Model self, ParticleIndexesKey attribute_key, ParticleIndex particle) -> IMP::ParticleIndexes
5604 get_attribute(Model self, ParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5605 get_attribute(Model self, ObjectKey attribute_key, ParticleIndex particle) -> Object
5606 get_attribute(Model self, IMP::WeakObjectKey attribute_key, ParticleIndex particle) -> Object
5607 get_attribute(Model self, SparseStringKey attribute_key, ParticleIndex particle) -> IMP::String
5608 get_attribute(Model self, SparseIntKey attribute_key, ParticleIndex particle) -> IMP::Int
5609 get_attribute(Model self, SparseFloatKey attribute_key, ParticleIndex particle) -> IMP::Float
5610 get_attribute(Model self, SparseParticleIndexKey attribute_key, ParticleIndex particle) -> ParticleIndex
5612 return _IMP_kernel.Model_get_attribute(self, *args)
5614 def set_is_optimized(self, arg2, arg3, arg4):
5615 r"""set_is_optimized(Model self, FloatKey arg2, ParticleIndex arg3, bool arg4)"""
5616 return _IMP_kernel.Model_set_is_optimized(self, arg2, arg3, arg4)
5618 def add_to_derivative(self, k, particle, v, da):
5619 r"""add_to_derivative(Model self, FloatKey k, ParticleIndex particle, double v, DerivativeAccumulator da)"""
5620 return _IMP_kernel.Model_add_to_derivative(self, k, particle, v, da)
5622 def get_particle(self, p):
5623 r"""get_particle(Model self, ParticleIndex p) -> Particle"""
5624 return _IMP_kernel.Model_get_particle(self, p)
5626 def get_has_particle(self, p):
5627 r"""get_has_particle(Model self, ParticleIndex p) -> bool"""
5628 return _IMP_kernel.Model_get_has_particle(self, p)
5631 r"""get_particle_indexes(Model self) -> IMP::ParticleIndexes"""
5632 return _IMP_kernel.Model_get_particle_indexes(self)
5634 def get_model_objects(self):
5635 r"""get_model_objects(Model self) -> IMP::ModelObjectsTemp"""
5636 return _IMP_kernel.Model_get_model_objects(self)
5638 def remove_particle(self, pi):
5639 r"""remove_particle(Model self, ParticleIndex pi)"""
5640 return _IMP_kernel.Model_remove_particle(self, pi)
5642 def add_data(self, mk, o):
5643 r"""add_data(Model self, ModelKey mk, Object o)"""
5644 return _IMP_kernel.Model_add_data(self, mk, o)
5646 def get_data(self, mk):
5647 r"""get_data(Model self, ModelKey mk) -> Object"""
5648 return _IMP_kernel.Model_get_data(self, mk)
5650 def remove_data(self, mk):
5651 r"""remove_data(Model self, ModelKey mk)"""
5652 return _IMP_kernel.Model_remove_data(self, mk)
5654 def get_has_data(self, mk):
5655 r"""get_has_data(Model self, ModelKey mk) -> bool"""
5656 return _IMP_kernel.Model_get_has_data(self, mk)
5659 r"""get_age(Model self) -> unsigned int"""
5660 return _IMP_kernel.Model_get_age(self)
5662 def get_trigger_last_updated(self, tk):
5663 r"""get_trigger_last_updated(Model self, TriggerKey tk) -> unsigned int"""
5664 return _IMP_kernel.Model_get_trigger_last_updated(self, tk)
5666 def set_trigger_updated(self, tk):
5667 r"""set_trigger_updated(Model self, TriggerKey tk)"""
5668 return _IMP_kernel.Model_set_trigger_updated(self, tk)
5670 def get_dependencies_updated(self):
5671 r"""get_dependencies_updated(Model self) -> unsigned int"""
5672 return _IMP_kernel.Model_get_dependencies_updated(self)
5674 def get_removed_particles_attributes_age(self):
5675 r"""get_removed_particles_attributes_age(Model self) -> unsigned int"""
5676 return _IMP_kernel.Model_get_removed_particles_attributes_age(self)
5678 def save_dependencies(self):
5679 r"""save_dependencies(Model self)"""
5680 return _IMP_kernel.Model_save_dependencies(self)
5682 def restore_dependencies(self):
5683 r"""restore_dependencies(Model self)"""
5684 return _IMP_kernel.Model_restore_dependencies(self)
5686 def get_particles_size(self):
5687 r"""get_particles_size(Model self) -> unsigned int"""
5688 return _IMP_kernel.Model_get_particles_size(self)
5690 def get_unique_id(self):
5691 r"""get_unique_id(Model self) -> uint32_t"""
5692 return _IMP_kernel.Model_get_unique_id(self)
5695 def get_by_unique_id(id):
5696 r"""get_by_unique_id(uint32_t id) -> Model"""
5697 return _IMP_kernel.Model_get_by_unique_id(id)
5700 r"""get_version_info(Model self) -> VersionInfo"""
5701 return _IMP_kernel.Model_get_version_info(self)
5702 __swig_destroy__ = _IMP_kernel.delete_Model
5704 r"""__del__(Model self)"""
5706 _director_objects.cleanup()
5713 r"""do_destroy(Model self)"""
5714 return _IMP_kernel.Model_do_destroy(self)
5717 r"""__str__(Model self) -> std::string"""
5718 return _IMP_kernel.Model___str__(self)
5721 r"""__repr__(Model self) -> std::string"""
5722 return _IMP_kernel.Model___repr__(self)
5726 return _object_cast_to_Model(o)
5729 def _get_as_binary(self):
5730 r"""_get_as_binary(Model self) -> PyObject *"""
5731 return _IMP_kernel.Model__get_as_binary(self)
5733 def _set_from_binary(self, p):
5734 r"""_set_from_binary(Model self, PyObject * p)"""
5735 return _IMP_kernel.Model__set_from_binary(self, p)
5737 def __getstate__(self):
5738 p = self._get_as_binary()
5739 if len(self.__dict__) > 1:
5740 d = self.__dict__.copy()
5745 def __setstate__(self, p):
5746 if not hasattr(self,
'this'):
5748 if isinstance(p, tuple):
5750 self.__dict__.update(d)
5751 return self._set_from_binary(p)
5755 """Get the model's attribute array for IntKey k as a NumPy array.
5756 The array is indexed by ParticleIndex; particles that don't have
5757 this attribute will either be off the end of the array or will have
5759 This is a NumPy view that shares memory with the Model. Thus,
5760 any changes to values in this list will be reflected in the Model.
5761 Also, if the Model attribute array moves in memory (e.g. if particles
5762 or attributes are added) this array will be invalidated, so it is
5763 unsafe to keep it around long term.
5764 If read_only is set True, values in the array cannot be changed.
5766 return _get_ints_numpy(self, k, self, read_only)
5769 """Get the model's attribute array for any type of Key
5770 k as a NumPy array. See Model::get_ints_numpy() for more details."""
5771 _numpy_meth_map = {IntKey: _get_ints_numpy,
5772 FloatKey: _get_floats_numpy,
5773 Vector3DKey: _get_vector3ds_numpy}
5774 return _numpy_meth_map[type(k)](self, k, self, read_only)
5777 """Get the model's attribute array for FloatKey k as a NumPy array.
5778 See Model::get_ints_numpy() for more details."""
5779 return _get_floats_numpy(self, k, self, read_only)
5782 """Get the model's attribute derivatives array for FloatKey k
5783 as a NumPy array. See Model::get_ints_numpy() for more details."""
5784 return _get_derivatives_numpy(self, k, self, read_only)
5787 """Get the model's attribute array for Vector3DKey k as a NumPy array.
5788 See Model::get_ints_numpy() for more details."""
5789 return _get_vector3ds_numpy(self, k, self, read_only)
5792 """Get the model's XYZR attribute arrays as NumPy arrays.
5793 The attribute arrays for Cartesian coordinates and radii are
5794 stored separately from those for other FloatKeys. This function
5795 returns a tuple of two NumPy arrays, the first of coordinates and
5796 the second of radii. See Model::get_ints_numpy() for more details."""
5797 return _get_spheres_numpy(self, self, read_only)
5800 """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
5801 See Model::get_ints_numpy() for more details."""
5802 return _get_sphere_derivatives_numpy(self, self, read_only)
5805 """Get the model's internal coordinate array as a NumPy array.
5806 The attribute arrays for rigid body internal coordinates are
5807 stored separately from those for other FloatKeys.
5808 See Model::get_ints_numpy() for more details."""
5809 return _get_internal_coordinates_numpy(self, self, read_only)
5812 """Get the model's internal coordinate derivative array as a
5814 See Model::get_ints_numpy() for more details."""
5815 return _get_internal_coordinate_derivatives_numpy(
5816 self, self, read_only)
5820 _IMP_kernel.Model_swigregister(Model)
5822 r"""Proxy of C++ IMP::Decorator class."""
5824 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5825 __repr__ = _swig_repr
5827 def __init__(self, p):
5828 r"""__init__(Decorator self, _ParticleAdaptor p) -> Decorator"""
5829 _IMP_kernel.Decorator_swiginit(self, _IMP_kernel.new_Decorator(p))
5831 def __ne__(self, o):
5832 r"""__ne__(Decorator self, Object o) -> bool"""
5833 return _IMP_kernel.Decorator___ne__(self, o)
5835 def __lt__(self, o):
5836 r"""__lt__(Decorator self, Object o) -> bool"""
5837 return _IMP_kernel.Decorator___lt__(self, o)
5839 def __gt__(self, o):
5840 r"""__gt__(Decorator self, Object o) -> bool"""
5841 return _IMP_kernel.Decorator___gt__(self, o)
5843 def __ge__(self, o):
5844 r"""__ge__(Decorator self, Object o) -> bool"""
5845 return _IMP_kernel.Decorator___ge__(self, o)
5847 def __le__(self, o):
5848 r"""__le__(Decorator self, Object o) -> bool"""
5849 return _IMP_kernel.Decorator___le__(self, o)
5852 r"""get_particle(Decorator self) -> Particle"""
5853 return _IMP_kernel.Decorator_get_particle(self)
5855 def get_particle_index(self):
5856 r"""get_particle_index(Decorator self) -> ParticleIndex"""
5857 return _IMP_kernel.Decorator_get_particle_index(self)
5859 def get_model(self):
5860 m = _IMP_kernel.Decorator_get_model(self)
5861 if m
in _models_set:
5862 m = _models_set_get(m)
5867 def get_is_valid(self):
5868 r"""get_is_valid(Decorator self) -> bool"""
5869 return _IMP_kernel.Decorator_get_is_valid(self)
5872 r"""__hash__(Decorator self) -> std::size_t"""
5873 return _IMP_kernel.Decorator___hash__(self)
5875 def __eq__(self, *args):
5877 __eq__(Decorator self, Object o) -> bool
5878 __eq__(Decorator self, Decorator o) -> bool
5879 __eq__(Decorator self, Particle o) -> bool
5881 return _IMP_kernel.Decorator___eq__(self, *args)
5884 r"""__bool__(Decorator self) -> bool"""
5885 return _IMP_kernel.Decorator___bool__(self)
5886 __swig_destroy__ = _IMP_kernel.delete_Decorator
5889 _IMP_kernel.Decorator_swigregister(Decorator)
5891 def check_particle(m, pi):
5892 r"""check_particle(Model m, ParticleIndex pi)"""
5893 return _IMP_kernel.check_particle(m, pi)
5895 r"""Proxy of C++ IMP::UnaryFunction class."""
5897 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5899 def __init__(self, *args):
5900 r"""__init__(UnaryFunction self, std::string name="UnaryFunction%1%") -> UnaryFunction"""
5901 if self.__class__ == UnaryFunction:
5905 _IMP_kernel.UnaryFunction_swiginit(self, _IMP_kernel.new_UnaryFunction(_self, *args))
5907 if self.__class__ != UnaryFunction:
5908 _director_objects.register(self)
5913 def evaluate(self, feature):
5914 r"""evaluate(UnaryFunction self, double feature) -> double"""
5915 return _IMP_kernel.UnaryFunction_evaluate(self, feature)
5917 def evaluate_with_derivative(self, feature):
5918 r"""evaluate_with_derivative(UnaryFunction self, double feature) -> IMP::DerivativePair"""
5919 return _IMP_kernel.UnaryFunction_evaluate_with_derivative(self, feature)
5920 __swig_destroy__ = _IMP_kernel.delete_UnaryFunction
5923 r"""__str__(UnaryFunction self) -> std::string"""
5924 return _IMP_kernel.UnaryFunction___str__(self)
5927 r"""__repr__(UnaryFunction self) -> std::string"""
5928 return _IMP_kernel.UnaryFunction___repr__(self)
5932 return _object_cast_to_UnaryFunction(o)
5935 def do_show(self, out):
5940 return _object_cast_to_UnaryFunction(o)
5944 """Return a JAX implementation of this UnaryFunction.
5945 Implement this method in a UnaryFunction subclass to provide
5946 an equivalent function using [JAX](https://docs.jax.dev/)
5947 that scores the provided feature value.
5949 raise NotImplementedError(
5950 f
"No JAX implementation for {self} ({type(self)})")
5952 def __disown__(self):
5954 _IMP_kernel.disown_UnaryFunction(self)
5955 return weakref.proxy(self)
5958 r"""do_destroy(UnaryFunction self)"""
5959 return _IMP_kernel.UnaryFunction_do_destroy(self)
5962 _IMP_kernel.UnaryFunction_swigregister(UnaryFunction)
5964 r"""Proxy of C++ IMP::OptimizerState class."""
5966 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5968 def __init__(self, *args):
5970 __init__(OptimizerState self, Model m, std::string name) -> OptimizerState
5971 __init__(OptimizerState self) -> OptimizerState
5973 if self.__class__ == OptimizerState:
5977 _IMP_kernel.OptimizerState_swiginit(self, _IMP_kernel.new_OptimizerState(_self, *args))
5979 if self.__class__ != OptimizerState:
5980 _director_objects.register(self)
5986 r"""update(OptimizerState self)"""
5987 return _IMP_kernel.OptimizerState_update(self)
5989 def set_is_optimizing(self, arg0):
5990 r"""set_is_optimizing(OptimizerState self, bool arg0)"""
5991 return _IMP_kernel.OptimizerState_set_is_optimizing(self, arg0)
5993 def get_optimizer(self):
5994 r"""get_optimizer(OptimizerState self) -> Optimizer"""
5995 return _IMP_kernel.OptimizerState_get_optimizer(self)
5997 def set_period(self, p):
5998 r"""set_period(OptimizerState self, unsigned int p)"""
5999 return _IMP_kernel.OptimizerState_set_period(self, p)
6001 def get_period(self):
6002 r"""get_period(OptimizerState self) -> unsigned int"""
6003 return _IMP_kernel.OptimizerState_get_period(self)
6006 r"""reset(OptimizerState self)"""
6007 return _IMP_kernel.OptimizerState_reset(self)
6009 def update_always(self):
6010 r"""update_always(OptimizerState self)"""
6011 return _IMP_kernel.OptimizerState_update_always(self)
6013 def get_number_of_updates(self):
6014 r"""get_number_of_updates(OptimizerState self) -> unsigned int"""
6015 return _IMP_kernel.OptimizerState_get_number_of_updates(self)
6017 def set_number_of_updates(self, n):
6018 r"""set_number_of_updates(OptimizerState self, unsigned int n)"""
6019 return _IMP_kernel.OptimizerState_set_number_of_updates(self, n)
6020 __swig_destroy__ = _IMP_kernel.delete_OptimizerState
6022 def do_update(self, arg0):
6023 r"""do_update(OptimizerState self, unsigned int arg0)"""
6024 return _IMP_kernel.OptimizerState_do_update(self, arg0)
6026 def do_set_is_optimizing(self, arg0):
6027 r"""do_set_is_optimizing(OptimizerState self, bool arg0)"""
6028 return _IMP_kernel.OptimizerState_do_set_is_optimizing(self, arg0)
6030 def do_get_inputs(self):
6031 r"""do_get_inputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6032 return _IMP_kernel.OptimizerState_do_get_inputs(self)
6034 def do_get_outputs(self):
6035 r"""do_get_outputs(OptimizerState self) -> IMP::ModelObjectsTemp"""
6036 return _IMP_kernel.OptimizerState_do_get_outputs(self)
6039 r"""__str__(OptimizerState self) -> std::string"""
6040 return _IMP_kernel.OptimizerState___str__(self)
6043 r"""__repr__(OptimizerState self) -> std::string"""
6044 return _IMP_kernel.OptimizerState___repr__(self)
6048 return _object_cast_to_OptimizerState(o)
6051 def do_show(self, out):
6056 return _object_cast_to_OptimizerState(o)
6059 def _get_jax(self, state_index):
6060 """Add JAX support for this OptimizerState.
6062 Each OptimizerState must explicitly support how it is going to
6063 be called when the Optimizer is run via JAX.
6065 OptimizerStates can run as traditional IMP CPU code
6066 on the IMP Model object, in which case None should be returned here.
6067 The Optimizer will sync any necessary information from JAX back
6068 with the IMP Model before calling the OptimizerState. However,
6069 the OptimizerState is not permitted to modify the Model; any
6070 changes will not be propagated back to the Optimizer.
6071 (For example, a thermostat which tries to change particle
6072 velocities will not function correctly.)
6074 Alternatively, a pure JAX implementation can be provided.
6075 See _wrap_jax for more information.
6077 raise NotImplementedError(
6078 f
"No JAX implementation for {self} ({type(self)})")
6080 def _wrap_jax(self, init_func, apply_func):
6081 """Create the return value for _get_jax.
6082 Use this method in _get_jax() to wrap the JAX function
6083 with other OptimizerState-specific information.
6085 @param init_func a JAX function which, given a JAX Optimizer,
6086 does any necessary setup and returns a (possibly modified)
6087 JAX Optimizer. If any OptimizerState-specific
6088 persistent state is needed, it can be stored in
6089 `opt.optimizer_states[state_index]` and later retrieved or
6090 modified in apply_func.
6091 @param apply_func a JAX function which, given a JAX Optimizer,
6092 does the JAX equivalent of do_update() and returns a new
6095 from IMP._jax_util
import JAXOptimizerStateInfo
6096 return JAXOptimizerStateInfo(self, init_func, apply_func)
6098 def __disown__(self):
6100 _IMP_kernel.disown_OptimizerState(self)
6101 return weakref.proxy(self)
6104 r"""do_destroy(OptimizerState self)"""
6105 return _IMP_kernel.OptimizerState_do_destroy(self)
6107 def handle_set_has_required_score_states(self, arg0):
6108 r"""handle_set_has_required_score_states(OptimizerState self, bool arg0)"""
6109 return _IMP_kernel.OptimizerState_handle_set_has_required_score_states(self, arg0)
6111 def do_get_interactions(self):
6112 r"""do_get_interactions(OptimizerState self) -> IMP::ModelObjectsTemps"""
6113 return _IMP_kernel.OptimizerState_do_get_interactions(self)
6116 _IMP_kernel.OptimizerState_swigregister(OptimizerState)
6118 r"""Proxy of C++ IMP::Refiner class."""
6120 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6122 def __init__(self, *args):
6123 r"""__init__(Refiner self, std::string name="Refiner %1%", bool is_by_ref=False) -> Refiner"""
6124 if self.__class__ == Refiner:
6128 _IMP_kernel.Refiner_swiginit(self, _IMP_kernel.new_Refiner(_self, *args))
6130 if self.__class__ != Refiner:
6131 _director_objects.register(self)
6136 def get_can_refine(self, arg0):
6137 r"""get_can_refine(Refiner self, Particle arg0) -> bool"""
6138 return _IMP_kernel.Refiner_get_can_refine(self, arg0)
6140 def get_refined_indexes(self, m, pi):
6141 r"""get_refined_indexes(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes"""
6142 return _IMP_kernel.Refiner_get_refined_indexes(self, m, pi)
6144 def get_refined_indexes_by_ref(self, m, pi):
6145 r"""get_refined_indexes_by_ref(Refiner self, Model m, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
6146 return _IMP_kernel.Refiner_get_refined_indexes_by_ref(self, m, pi)
6148 def get_is_by_ref_supported(self):
6149 r"""get_is_by_ref_supported(Refiner self) -> bool"""
6150 return _IMP_kernel.Refiner_get_is_by_ref_supported(self)
6152 def get_refined(self, *args):
6154 get_refined(Refiner self, Particle a) -> IMP::ParticlesTemp const
6155 get_refined(Refiner self, Particle a, unsigned int i) -> Particle
6157 return _IMP_kernel.Refiner_get_refined(self, *args)
6159 def get_number_of_refined(self, a):
6160 r"""get_number_of_refined(Refiner self, Particle a) -> unsigned int"""
6161 return _IMP_kernel.Refiner_get_number_of_refined(self, a)
6164 r"""__str__(Refiner self) -> std::string"""
6165 return _IMP_kernel.Refiner___str__(self)
6168 r"""__repr__(Refiner self) -> std::string"""
6169 return _IMP_kernel.Refiner___repr__(self)
6173 return _object_cast_to_Refiner(o)
6176 def do_show(self, out):
6181 return _object_cast_to_Refiner(o)
6183 __swig_destroy__ = _IMP_kernel.delete_Refiner
6184 def __disown__(self):
6186 _IMP_kernel.disown_Refiner(self)
6187 return weakref.proxy(self)
6189 def do_get_inputs(self, m, pis):
6190 r"""do_get_inputs(Refiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6191 return _IMP_kernel.Refiner_do_get_inputs(self, m, pis)
6194 r"""do_destroy(Refiner self)"""
6195 return _IMP_kernel.Refiner_do_destroy(self)
6198 _IMP_kernel.Refiner_swigregister(Refiner)
6200 r"""Proxy of C++ IMP::Optimizer class."""
6202 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6204 def set_is_optimizing_states(self, tf):
6205 r"""set_is_optimizing_states(Optimizer self, bool tf)"""
6206 return _IMP_kernel.Optimizer_set_is_optimizing_states(self, tf)
6208 def get_optimizer_state_inputs(self):
6209 r"""get_optimizer_state_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6210 return _IMP_kernel.Optimizer_get_optimizer_state_inputs(self)
6212 def do_get_inputs(self):
6213 r"""do_get_inputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6214 return _IMP_kernel.Optimizer_do_get_inputs(self)
6216 def do_get_outputs(self):
6217 r"""do_get_outputs(Optimizer self) -> IMP::ModelObjectsTemp"""
6218 return _IMP_kernel.Optimizer_do_get_outputs(self)
6220 def __init__(self, *args):
6222 __init__(Optimizer self, Model m, std::string name="Optimizer %1%") -> Optimizer
6223 __init__(Optimizer self) -> Optimizer
6225 if self.__class__ == Optimizer:
6229 _IMP_kernel.Optimizer_swiginit(self, _IMP_kernel.new_Optimizer(_self, *args))
6231 if self.__class__ != Optimizer:
6232 _director_objects.register(self)
6237 def optimize(self, max_steps):
6238 r"""optimize(Optimizer self, unsigned int max_steps) -> double"""
6239 return _IMP_kernel.Optimizer_optimize(self, max_steps)
6241 def set_stop_on_good_score(self, tf):
6242 r"""set_stop_on_good_score(Optimizer self, bool tf)"""
6243 return _IMP_kernel.Optimizer_set_stop_on_good_score(self, tf)
6245 def get_stop_on_good_score(self):
6246 r"""get_stop_on_good_score(Optimizer self) -> bool"""
6247 return _IMP_kernel.Optimizer_get_stop_on_good_score(self)
6249 def get_last_score(self):
6250 r"""get_last_score(Optimizer self) -> double"""
6251 return _IMP_kernel.Optimizer_get_last_score(self)
6253 def get_scoring_function(self):
6254 r"""get_scoring_function(Optimizer self) -> ScoringFunction"""
6255 return _IMP_kernel.Optimizer_get_scoring_function(self)
6256 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)
6257 def __set_optimizer_states(self, obj): _list_util.set_varlist(self.optimizer_states, obj)
6258 def __del_optimizer_states(self): _list_util.del_varlist(self.optimizer_states)
6259 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
6261 def remove_optimizer_state(self, d):
6262 r"""remove_optimizer_state(Optimizer self, OptimizerState d)"""
6263 return _IMP_kernel.Optimizer_remove_optimizer_state(self, d)
6265 def _python_index_optimizer_state(self, d, start, stop):
6266 r"""_python_index_optimizer_state(Optimizer self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
6267 return _IMP_kernel.Optimizer__python_index_optimizer_state(self, d, start, stop)
6269 def remove_optimizer_states(self, d):
6270 r"""remove_optimizer_states(Optimizer self, IMP::OptimizerStates const & d)"""
6271 return _IMP_kernel.Optimizer_remove_optimizer_states(self, d)
6273 def set_optimizer_states(self, ps):
6274 r"""set_optimizer_states(Optimizer self, IMP::OptimizerStates const & ps)"""
6275 return _IMP_kernel.Optimizer_set_optimizer_states(self, ps)
6277 def set_optimizer_states_order(self, objs):
6278 r"""set_optimizer_states_order(Optimizer self, IMP::OptimizerStates const & objs)"""
6279 return _IMP_kernel.Optimizer_set_optimizer_states_order(self, objs)
6281 def add_optimizer_state(self, obj):
6282 r"""add_optimizer_state(Optimizer self, OptimizerState obj) -> unsigned int"""
6283 return _IMP_kernel.Optimizer_add_optimizer_state(self, obj)
6285 def add_optimizer_states(self, objs):
6286 r"""add_optimizer_states(Optimizer self, IMP::OptimizerStates const & objs)"""
6287 return _IMP_kernel.Optimizer_add_optimizer_states(self, objs)
6289 def clear_optimizer_states(self):
6290 r"""clear_optimizer_states(Optimizer self)"""
6291 return _IMP_kernel.Optimizer_clear_optimizer_states(self)
6293 def get_number_of_optimizer_states(self):
6294 r"""get_number_of_optimizer_states(Optimizer self) -> unsigned int"""
6295 return _IMP_kernel.Optimizer_get_number_of_optimizer_states(self)
6297 def get_has_optimizer_states(self):
6298 r"""get_has_optimizer_states(Optimizer self) -> bool"""
6299 return _IMP_kernel.Optimizer_get_has_optimizer_states(self)
6301 def get_optimizer_state(self, i):
6302 r"""get_optimizer_state(Optimizer self, unsigned int i) -> OptimizerState"""
6303 return _IMP_kernel.Optimizer_get_optimizer_state(self, i)
6305 def get_optimizer_states(self):
6306 r"""get_optimizer_states(Optimizer self) -> IMP::OptimizerStates"""
6307 return _IMP_kernel.Optimizer_get_optimizer_states(self)
6309 def erase_optimizer_state(self, i):
6310 r"""erase_optimizer_state(Optimizer self, unsigned int i)"""
6311 return _IMP_kernel.Optimizer_erase_optimizer_state(self, i)
6313 def reserve_optimizer_states(self, sz):
6314 r"""reserve_optimizer_states(Optimizer self, unsigned int sz)"""
6315 return _IMP_kernel.Optimizer_reserve_optimizer_states(self, sz)
6317 def set_scoring_function(self, sf):
6318 r"""set_scoring_function(Optimizer self, _ScoringFunctionAdaptor sf)"""
6319 return _IMP_kernel.Optimizer_set_scoring_function(self, sf)
6320 __swig_destroy__ = _IMP_kernel.delete_Optimizer
6322 r"""__del__(Optimizer self)"""
6324 _director_objects.cleanup()
6330 def do_optimize(self, ns):
6331 r"""do_optimize(Optimizer self, unsigned int ns) -> double"""
6332 return _IMP_kernel.Optimizer_do_optimize(self, ns)
6334 def update_states(self):
6335 r"""update_states(Optimizer self)"""
6336 return _IMP_kernel.Optimizer_update_states(self)
6339 r"""__str__(Optimizer self) -> std::string"""
6340 return _IMP_kernel.Optimizer___str__(self)
6343 r"""__repr__(Optimizer self) -> std::string"""
6344 return _IMP_kernel.Optimizer___repr__(self)
6348 return _object_cast_to_Optimizer(o)
6351 def do_show(self, out):
6356 return _object_cast_to_Optimizer(o)
6358 def __disown__(self):
6360 _IMP_kernel.disown_Optimizer(self)
6361 return weakref.proxy(self)
6364 r"""do_destroy(Optimizer self)"""
6365 return _IMP_kernel.Optimizer_do_destroy(self)
6367 def handle_set_has_required_score_states(self, arg0):
6368 r"""handle_set_has_required_score_states(Optimizer self, bool arg0)"""
6369 return _IMP_kernel.Optimizer_handle_set_has_required_score_states(self, arg0)
6371 def do_get_interactions(self):
6372 r"""do_get_interactions(Optimizer self) -> IMP::ModelObjectsTemps"""
6373 return _IMP_kernel.Optimizer_do_get_interactions(self)
6376 _IMP_kernel.Optimizer_swigregister(Optimizer)
6378 r"""Proxy of C++ IMP::AttributeOptimizer class."""
6380 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6382 def __init__(self, *args):
6384 __init__(AttributeOptimizer self, Model m, std::string name="Optimizer %1%") -> AttributeOptimizer
6385 __init__(AttributeOptimizer self) -> AttributeOptimizer
6387 if self.__class__ == AttributeOptimizer:
6391 _IMP_kernel.AttributeOptimizer_swiginit(self, _IMP_kernel.new_AttributeOptimizer(_self, *args))
6393 if self.__class__ != AttributeOptimizer:
6394 _director_objects.register(self)
6399 def get_optimized_attributes(self):
6400 r"""get_optimized_attributes(AttributeOptimizer self) -> IMP::FloatIndexes"""
6401 return _IMP_kernel.AttributeOptimizer_get_optimized_attributes(self)
6403 def set_value(self, fi, v):
6404 r"""set_value(AttributeOptimizer self, FloatIndex fi, double v)"""
6405 return _IMP_kernel.AttributeOptimizer_set_value(self, fi, v)
6407 def get_value(self, fi):
6408 r"""get_value(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6409 return _IMP_kernel.AttributeOptimizer_get_value(self, fi)
6411 def get_derivative(self, fi):
6412 r"""get_derivative(AttributeOptimizer self, FloatIndex fi) -> IMP::Float"""
6413 return _IMP_kernel.AttributeOptimizer_get_derivative(self, fi)
6415 def get_width(self, k):
6416 r"""get_width(AttributeOptimizer self, FloatKey k) -> double"""
6417 return _IMP_kernel.AttributeOptimizer_get_width(self, k)
6419 def set_scaled_value(self, fi, v):
6420 r"""set_scaled_value(AttributeOptimizer self, FloatIndex fi, IMP::Float v)"""
6421 return _IMP_kernel.AttributeOptimizer_set_scaled_value(self, fi, v)
6423 def get_scaled_value(self, fi):
6424 r"""get_scaled_value(AttributeOptimizer self, FloatIndex fi) -> double"""
6425 return _IMP_kernel.AttributeOptimizer_get_scaled_value(self, fi)
6427 def get_scaled_derivative(self, fi):
6428 r"""get_scaled_derivative(AttributeOptimizer self, FloatIndex fi) -> double"""
6429 return _IMP_kernel.AttributeOptimizer_get_scaled_derivative(self, fi)
6431 def clear_range_cache(self):
6432 r"""clear_range_cache(AttributeOptimizer self)"""
6433 return _IMP_kernel.AttributeOptimizer_clear_range_cache(self)
6436 r"""__str__(AttributeOptimizer self) -> std::string"""
6437 return _IMP_kernel.AttributeOptimizer___str__(self)
6440 r"""__repr__(AttributeOptimizer self) -> std::string"""
6441 return _IMP_kernel.AttributeOptimizer___repr__(self)
6445 return _object_cast_to_AttributeOptimizer(o)
6448 def do_show(self, out):
6453 return _object_cast_to_AttributeOptimizer(o)
6455 __swig_destroy__ = _IMP_kernel.delete_AttributeOptimizer
6456 def __disown__(self):
6458 _IMP_kernel.disown_AttributeOptimizer(self)
6459 return weakref.proxy(self)
6462 r"""do_destroy(AttributeOptimizer self)"""
6463 return _IMP_kernel.AttributeOptimizer_do_destroy(self)
6465 def handle_set_has_required_score_states(self, arg0):
6466 r"""handle_set_has_required_score_states(AttributeOptimizer self, bool arg0)"""
6467 return _IMP_kernel.AttributeOptimizer_handle_set_has_required_score_states(self, arg0)
6469 def do_get_inputs(self):
6470 r"""do_get_inputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6471 return _IMP_kernel.AttributeOptimizer_do_get_inputs(self)
6473 def do_get_outputs(self):
6474 r"""do_get_outputs(AttributeOptimizer self) -> IMP::ModelObjectsTemp"""
6475 return _IMP_kernel.AttributeOptimizer_do_get_outputs(self)
6477 def do_get_interactions(self):
6478 r"""do_get_interactions(AttributeOptimizer self) -> IMP::ModelObjectsTemps"""
6479 return _IMP_kernel.AttributeOptimizer_do_get_interactions(self)
6481 def do_optimize(self, ns):
6482 r"""do_optimize(AttributeOptimizer self, unsigned int ns) -> double"""
6483 return _IMP_kernel.AttributeOptimizer_do_optimize(self, ns)
6486 _IMP_kernel.AttributeOptimizer_swigregister(AttributeOptimizer)
6488 r"""Proxy of C++ IMP::ConfigurationSet class."""
6490 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6492 def __init__(self, *args):
6493 r"""__init__(ConfigurationSet self, Model m, std::string name="ConfigurationSet %1%") -> ConfigurationSet"""
6494 _IMP_kernel.ConfigurationSet_swiginit(self, _IMP_kernel.new_ConfigurationSet(*args))
6496 def save_configuration(self):
6497 r"""save_configuration(ConfigurationSet self)"""
6498 return _IMP_kernel.ConfigurationSet_save_configuration(self)
6500 def get_number_of_configurations(self):
6501 r"""get_number_of_configurations(ConfigurationSet self) -> unsigned int"""
6502 return _IMP_kernel.ConfigurationSet_get_number_of_configurations(self)
6504 def load_configuration(self, i):
6505 r"""load_configuration(ConfigurationSet self, int i)"""
6506 return _IMP_kernel.ConfigurationSet_load_configuration(self, i)
6508 def remove_configuration(self, i):
6509 r"""remove_configuration(ConfigurationSet self, unsigned int i)"""
6510 return _IMP_kernel.ConfigurationSet_remove_configuration(self, i)
6512 def get_model(self):
6513 r"""get_model(ConfigurationSet self) -> Model"""
6514 return _IMP_kernel.ConfigurationSet_get_model(self)
6517 r"""get_version_info(ConfigurationSet self) -> VersionInfo"""
6518 return _IMP_kernel.ConfigurationSet_get_version_info(self)
6519 __swig_destroy__ = _IMP_kernel.delete_ConfigurationSet
6522 r"""__str__(ConfigurationSet self) -> std::string"""
6523 return _IMP_kernel.ConfigurationSet___str__(self)
6526 r"""__repr__(ConfigurationSet self) -> std::string"""
6527 return _IMP_kernel.ConfigurationSet___repr__(self)
6531 return _object_cast_to_ConfigurationSet(o)
6535 _IMP_kernel.ConfigurationSet_swigregister(ConfigurationSet)
6537 r"""Proxy of C++ IMP::SaveToConfigurationSetOptimizerState class."""
6539 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6541 def __init__(self, cs):
6542 r"""__init__(SaveToConfigurationSetOptimizerState self, ConfigurationSet cs) -> SaveToConfigurationSetOptimizerState"""
6543 _IMP_kernel.SaveToConfigurationSetOptimizerState_swiginit(self, _IMP_kernel.new_SaveToConfigurationSetOptimizerState(cs))
6546 r"""get_version_info(SaveToConfigurationSetOptimizerState self) -> VersionInfo"""
6547 return _IMP_kernel.SaveToConfigurationSetOptimizerState_get_version_info(self)
6548 __swig_destroy__ = _IMP_kernel.delete_SaveToConfigurationSetOptimizerState
6551 r"""__str__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6552 return _IMP_kernel.SaveToConfigurationSetOptimizerState___str__(self)
6555 r"""__repr__(SaveToConfigurationSetOptimizerState self) -> std::string"""
6556 return _IMP_kernel.SaveToConfigurationSetOptimizerState___repr__(self)
6560 return _object_cast_to_SaveToConfigurationSetOptimizerState(o)
6564 _IMP_kernel.SaveToConfigurationSetOptimizerState_swigregister(SaveToConfigurationSetOptimizerState)
6566 r"""Proxy of C++ IMP::Configuration class."""
6568 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6570 def __init__(self, *args):
6572 __init__(Configuration self, Model m, std::string name="Configuration %1%") -> Configuration
6573 __init__(Configuration self, Model m, Configuration base, std::string name="Configuration %1%") -> Configuration
6575 _IMP_kernel.Configuration_swiginit(self, _IMP_kernel.new_Configuration(*args))
6577 def load_configuration(self):
6578 r"""load_configuration(Configuration self)"""
6579 return _IMP_kernel.Configuration_load_configuration(self)
6581 def swap_configuration(self):
6582 r"""swap_configuration(Configuration self)"""
6583 return _IMP_kernel.Configuration_swap_configuration(self)
6586 r"""get_version_info(Configuration self) -> VersionInfo"""
6587 return _IMP_kernel.Configuration_get_version_info(self)
6588 __swig_destroy__ = _IMP_kernel.delete_Configuration
6591 r"""__str__(Configuration self) -> std::string"""
6592 return _IMP_kernel.Configuration___str__(self)
6595 r"""__repr__(Configuration self) -> std::string"""
6596 return _IMP_kernel.Configuration___repr__(self)
6600 return _object_cast_to_Configuration(o)
6604 _IMP_kernel.Configuration_swigregister(Configuration)
6606 r"""Proxy of C++ IMP::Sampler class."""
6608 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6610 def __init__(self, *args):
6611 r"""__init__(Sampler self, Model m, std::string name="Sampler %1%") -> Sampler"""
6612 if self.__class__ == Sampler:
6616 _IMP_kernel.Sampler_swiginit(self, _IMP_kernel.new_Sampler(_self, *args))
6618 if self.__class__ != Sampler:
6619 _director_objects.register(self)
6624 def create_sample(self):
6625 r"""create_sample(Sampler self) -> ConfigurationSet"""
6626 return _IMP_kernel.Sampler_create_sample(self)
6628 def get_scoring_function(self):
6629 r"""get_scoring_function(Sampler self) -> ScoringFunction"""
6630 return _IMP_kernel.Sampler_get_scoring_function(self)
6632 def set_scoring_function(self, sf):
6633 r"""set_scoring_function(Sampler self, _ScoringFunctionAdaptor sf)"""
6634 return _IMP_kernel.Sampler_set_scoring_function(self, sf)
6636 def get_model(self):
6637 r"""get_model(Sampler self) -> Model"""
6638 return _IMP_kernel.Sampler_get_model(self)
6640 def do_sample(self):
6641 r"""do_sample(Sampler self) -> ConfigurationSet"""
6642 return _IMP_kernel.Sampler_do_sample(self)
6643 __swig_destroy__ = _IMP_kernel.delete_Sampler
6646 r"""__str__(Sampler self) -> std::string"""
6647 return _IMP_kernel.Sampler___str__(self)
6650 r"""__repr__(Sampler self) -> std::string"""
6651 return _IMP_kernel.Sampler___repr__(self)
6655 return _object_cast_to_Sampler(o)
6658 def do_show(self, out):
6663 return _object_cast_to_Sampler(o)
6665 def __disown__(self):
6667 _IMP_kernel.disown_Sampler(self)
6668 return weakref.proxy(self)
6671 r"""do_destroy(Sampler self)"""
6672 return _IMP_kernel.Sampler_do_destroy(self)
6675 _IMP_kernel.Sampler_swigregister(Sampler)
6677 r"""Proxy of C++ IMP::PairModifier class."""
6679 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6681 def __init__(self, *args):
6682 r"""__init__(PairModifier self, std::string name="PairModifier %1%") -> PairModifier"""
6683 if self.__class__ == PairModifier:
6687 _IMP_kernel.PairModifier_swiginit(self, _IMP_kernel.new_PairModifier(_self, *args))
6689 if self.__class__ != PairModifier:
6690 _director_objects.register(self)
6695 def apply_index(self, m, v):
6696 r"""apply_index(PairModifier self, Model m, IMP::ParticleIndexPair const & v)"""
6697 return _IMP_kernel.PairModifier_apply_index(self, m, v)
6699 def apply_indexes(self, m, o, lower_bound, upper_bound):
6700 r"""apply_indexes(PairModifier self, Model m, IMP::ParticleIndexPairs const & o, unsigned int lower_bound, unsigned int upper_bound)"""
6701 return _IMP_kernel.PairModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
6703 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
6704 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)"""
6705 return _IMP_kernel.PairModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
6708 r"""__str__(PairModifier self) -> std::string"""
6709 return _IMP_kernel.PairModifier___str__(self)
6712 r"""__repr__(PairModifier self) -> std::string"""
6713 return _IMP_kernel.PairModifier___repr__(self)
6717 return _object_cast_to_PairModifier(o)
6720 def do_show(self, out):
6725 return _object_cast_to_PairModifier(o)
6727 __swig_destroy__ = _IMP_kernel.delete_PairModifier
6728 def __disown__(self):
6730 _IMP_kernel.disown_PairModifier(self)
6731 return weakref.proxy(self)
6733 def do_get_inputs(self, m, pis):
6734 r"""do_get_inputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6735 return _IMP_kernel.PairModifier_do_get_inputs(self, m, pis)
6737 def do_get_outputs(self, m, pis):
6738 r"""do_get_outputs(PairModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6739 return _IMP_kernel.PairModifier_do_get_outputs(self, m, pis)
6742 r"""do_destroy(PairModifier self)"""
6743 return _IMP_kernel.PairModifier_do_destroy(self)
6746 _IMP_kernel.PairModifier_swigregister(PairModifier)
6748 r"""Proxy of C++ IMP::PairScore class."""
6750 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6752 def __init__(self, *args):
6753 r"""__init__(PairScore self, std::string name="PairScore %1%") -> PairScore"""
6754 if self.__class__ == PairScore:
6758 _IMP_kernel.PairScore_swiginit(self, _IMP_kernel.new_PairScore(_self, *args))
6760 if self.__class__ != PairScore:
6761 _director_objects.register(self)
6766 def evaluate_index(self, m, vt, da):
6767 r"""evaluate_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da) -> double"""
6768 return _IMP_kernel.PairScore_evaluate_index(self, m, vt, da)
6770 def check_indexes(self, m, pis):
6771 r"""check_indexes(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
6772 return _IMP_kernel.PairScore_check_indexes(self, m, pis)
6774 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
6775 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"""
6776 return _IMP_kernel.PairScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
6778 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6779 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"""
6780 return _IMP_kernel.PairScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
6782 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
6783 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"""
6784 return _IMP_kernel.PairScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
6786 def evaluate_if_good_index(self, m, vt, da, max):
6787 r"""evaluate_if_good_index(PairScore self, Model m, IMP::ParticleIndexPair const & vt, DerivativeAccumulator da, double max) -> double"""
6788 return _IMP_kernel.PairScore_evaluate_if_good_index(self, m, vt, da, max)
6790 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6791 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"""
6792 return _IMP_kernel.PairScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
6794 def create_current_decomposition(self, m, vt):
6795 r"""create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6796 return _IMP_kernel.PairScore_create_current_decomposition(self, m, vt)
6798 def do_create_current_decomposition(self, m, vt):
6799 r"""do_create_current_decomposition(PairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
6800 return _IMP_kernel.PairScore_do_create_current_decomposition(self, m, vt)
6801 __swig_destroy__ = _IMP_kernel.delete_PairScore
6804 r"""__str__(PairScore self) -> std::string"""
6805 return _IMP_kernel.PairScore___str__(self)
6808 r"""__repr__(PairScore self) -> std::string"""
6809 return _IMP_kernel.PairScore___repr__(self)
6813 return _object_cast_to_PairScore(o)
6816 def do_show(self, out):
6821 return _object_cast_to_PairScore(o)
6824 def _wrap_jax(self, m, score_func, keys=None):
6825 """Create the return value for _get_jax.
6826 Use this method in _get_jax() to wrap the JAX scoring function
6827 with other score-specific information.
6829 @param m The IMP.Model that the score will act on.
6830 @param score_func A function implemented using JAX that takes
6831 one argument (the current JAX Model) and returns the total
6833 @param keys Model attributes used by the PairScore.
6834 See IMP::Restraint::_wrap_jax.
6836 from IMP._jax_util
import JAXScoreInfo
6837 return JAXScoreInfo(m, score_func=score_func, keys=keys)
6839 def _get_jax(self, m, indexes):
6840 """Return a JAX implementation of this PairScore.
6841 Implement this method in a PairScore subclass to provide
6842 an equivalent function using [JAX](https://docs.jax.dev/)
6843 that scores the current JAX Model with a given set of
6844 ParticlePairIndexes. See also _wrap_jax.
6846 @param m The IMP.Model that the score will act on.
6847 @param indexes The ParticlePairIndexes that the score will act on.
6849 raise NotImplementedError(
6850 f
"No JAX implementation for {self} ({type(self)})")
6852 def __disown__(self):
6854 _IMP_kernel.disown_PairScore(self)
6855 return weakref.proxy(self)
6857 def do_get_inputs(self, m, pis):
6858 r"""do_get_inputs(PairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6859 return _IMP_kernel.PairScore_do_get_inputs(self, m, pis)
6862 r"""do_destroy(PairScore self)"""
6863 return _IMP_kernel.PairScore_do_destroy(self)
6866 _IMP_kernel.PairScore_swigregister(PairScore)
6868 r"""Proxy of C++ IMP::PairPredicate class."""
6870 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6872 def __init__(self, *args):
6873 r"""__init__(PairPredicate self, std::string name="PairPredicate %1%") -> PairPredicate"""
6874 if self.__class__ == PairPredicate:
6878 _IMP_kernel.PairPredicate_swiginit(self, _IMP_kernel.new_PairPredicate(_self, *args))
6880 if self.__class__ != PairPredicate:
6881 _director_objects.register(self)
6886 def setup_for_get_value_index_in_batch(self, arg0):
6887 r"""setup_for_get_value_index_in_batch(PairPredicate self, Model arg0)"""
6888 return _IMP_kernel.PairPredicate_setup_for_get_value_index_in_batch(self, arg0)
6890 def get_value_index_in_batch(self, m, vt):
6891 r"""get_value_index_in_batch(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6892 return _IMP_kernel.PairPredicate_get_value_index_in_batch(self, m, vt)
6894 def __call__(self, m, vt):
6895 r"""__call__(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int"""
6896 return _IMP_kernel.PairPredicate___call__(self, m, vt)
6898 def get_value_index(self, *args):
6900 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPair const & vt) -> int
6901 get_value_index(PairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6903 return _IMP_kernel.PairPredicate_get_value_index(self, *args)
6904 __swig_destroy__ = _IMP_kernel.delete_PairPredicate
6907 r"""__str__(PairPredicate self) -> std::string"""
6908 return _IMP_kernel.PairPredicate___str__(self)
6911 r"""__repr__(PairPredicate self) -> std::string"""
6912 return _IMP_kernel.PairPredicate___repr__(self)
6916 return _object_cast_to_PairPredicate(o)
6919 def do_show(self, out):
6924 return _object_cast_to_PairPredicate(o)
6926 def __disown__(self):
6928 _IMP_kernel.disown_PairPredicate(self)
6929 return weakref.proxy(self)
6931 def do_get_inputs(self, m, pis):
6932 r"""do_get_inputs(PairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6933 return _IMP_kernel.PairPredicate_do_get_inputs(self, m, pis)
6936 r"""do_destroy(PairPredicate self)"""
6937 return _IMP_kernel.PairPredicate_do_destroy(self)
6940 _IMP_kernel.PairPredicate_swigregister(PairPredicate)
6942 r"""Proxy of C++ IMP::PairContainer class."""
6944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6946 def apply_generic(self, m):
6947 r"""apply_generic(PairContainer self, PairModifier m)"""
6948 return _IMP_kernel.PairContainer_apply_generic(self, m)
6950 def apply_generic_moved(self, m, moved_pis, reset_pis):
6951 r"""apply_generic_moved(PairContainer self, PairModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6952 return _IMP_kernel.PairContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
6954 def apply(self, sm):
6955 r"""apply(PairContainer self, PairModifier sm)"""
6956 return _IMP_kernel.PairContainer_apply(self, sm)
6958 def apply_moved(self, sm, moved_pis, reset_pis):
6959 r"""apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
6960 return _IMP_kernel.PairContainer_apply_moved(self, sm, moved_pis, reset_pis)
6962 def get_range_indexes(self):
6963 r"""get_range_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6964 return _IMP_kernel.PairContainer_get_range_indexes(self)
6966 def get_contents(self):
6967 r"""get_contents(PairContainer self) -> IMP::ParticleIndexPairs const &"""
6968 return _IMP_kernel.PairContainer_get_contents(self)
6971 r"""get_indexes(PairContainer self) -> IMP::ParticleIndexPairs"""
6972 return _IMP_kernel.PairContainer_get_indexes(self)
6974 def get(self, *args):
6976 get(PairContainer self) -> IMP::ParticlePairsTemp
6977 get(PairContainer self, unsigned int i) -> IMP::ParticlePair
6979 return _IMP_kernel.PairContainer_get(self, *args)
6981 def get_number(self):
6982 r"""get_number(PairContainer self) -> unsigned int"""
6983 return _IMP_kernel.PairContainer_get_number(self)
6985 def __init__(self, *args):
6987 __init__(PairContainer self, Model m, std::string name="PairContainer %1%") -> PairContainer
6988 __init__(PairContainer self) -> PairContainer
6990 if self.__class__ == PairContainer:
6994 _IMP_kernel.PairContainer_swiginit(self, _IMP_kernel.new_PairContainer(_self, *args))
6996 if self.__class__ != PairContainer:
6997 _director_objects.register(self)
7002 def do_apply(self, sm):
7003 r"""do_apply(PairContainer self, PairModifier sm)"""
7004 return _IMP_kernel.PairContainer_do_apply(self, sm)
7006 def do_apply_moved(self, sm, moved_pis, reset_pis):
7007 r"""do_apply_moved(PairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7008 return _IMP_kernel.PairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7010 def do_get_provides_access(self):
7011 r"""do_get_provides_access(PairContainer self) -> bool"""
7012 return _IMP_kernel.PairContainer_do_get_provides_access(self)
7013 __swig_destroy__ = _IMP_kernel.delete_PairContainer
7016 r"""__str__(PairContainer self) -> std::string"""
7017 return _IMP_kernel.PairContainer___str__(self)
7020 r"""__repr__(PairContainer self) -> std::string"""
7021 return _IMP_kernel.PairContainer___repr__(self)
7025 return _object_cast_to_PairContainer(o)
7028 def do_show(self, out):
7033 return _object_cast_to_PairContainer(o)
7035 def __disown__(self):
7037 _IMP_kernel.disown_PairContainer(self)
7038 return weakref.proxy(self)
7041 r"""do_destroy(PairContainer self)"""
7042 return _IMP_kernel.PairContainer_do_destroy(self)
7044 def handle_set_has_required_score_states(self, arg0):
7045 r"""handle_set_has_required_score_states(PairContainer self, bool arg0)"""
7046 return _IMP_kernel.PairContainer_handle_set_has_required_score_states(self, arg0)
7048 def do_get_inputs(self):
7049 r"""do_get_inputs(PairContainer self) -> IMP::ModelObjectsTemp"""
7050 return _IMP_kernel.PairContainer_do_get_inputs(self)
7052 def do_get_interactions(self):
7053 r"""do_get_interactions(PairContainer self) -> IMP::ModelObjectsTemps"""
7054 return _IMP_kernel.PairContainer_do_get_interactions(self)
7056 def do_get_contents_hash(self):
7057 r"""do_get_contents_hash(PairContainer self) -> std::size_t"""
7058 return _IMP_kernel.PairContainer_do_get_contents_hash(self)
7061 _IMP_kernel.PairContainer_swigregister(PairContainer)
7062 class _PairContainerAdaptor(_InputAdaptor):
7063 r"""Proxy of C++ IMP::PairContainerAdaptor class."""
7065 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7066 __repr__ = _swig_repr
7068 def __init__(self, *args):
7070 __init__(_PairContainerAdaptor self) -> _PairContainerAdaptor
7071 __init__(_PairContainerAdaptor self, PairContainer c) -> _PairContainerAdaptor
7072 __init__(_PairContainerAdaptor self, IMP::ParticlePairsTemp const & t) -> _PairContainerAdaptor
7074 _IMP_kernel._PairContainerAdaptor_swiginit(self, _IMP_kernel.new__PairContainerAdaptor(*args))
7076 def set_name_if_default(self, name):
7077 r"""set_name_if_default(_PairContainerAdaptor self, std::string name)"""
7078 return _IMP_kernel._PairContainerAdaptor_set_name_if_default(self, name)
7079 __swig_destroy__ = _IMP_kernel.delete__PairContainerAdaptor
7082 _IMP_kernel._PairContainerAdaptor_swigregister(_PairContainerAdaptor)
7084 r"""Proxy of C++ IMP::QuadModifier class."""
7086 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7088 def __init__(self, *args):
7089 r"""__init__(QuadModifier self, std::string name="QuadModifier %1%") -> QuadModifier"""
7090 if self.__class__ == QuadModifier:
7094 _IMP_kernel.QuadModifier_swiginit(self, _IMP_kernel.new_QuadModifier(_self, *args))
7096 if self.__class__ != QuadModifier:
7097 _director_objects.register(self)
7102 def apply_index(self, m, v):
7103 r"""apply_index(QuadModifier self, Model m, IMP::ParticleIndexQuad const & v)"""
7104 return _IMP_kernel.QuadModifier_apply_index(self, m, v)
7106 def apply_indexes(self, m, o, lower_bound, upper_bound):
7107 r"""apply_indexes(QuadModifier self, Model m, IMP::ParticleIndexQuads const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7108 return _IMP_kernel.QuadModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7110 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7111 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)"""
7112 return _IMP_kernel.QuadModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7115 r"""__str__(QuadModifier self) -> std::string"""
7116 return _IMP_kernel.QuadModifier___str__(self)
7119 r"""__repr__(QuadModifier self) -> std::string"""
7120 return _IMP_kernel.QuadModifier___repr__(self)
7124 return _object_cast_to_QuadModifier(o)
7127 def do_show(self, out):
7132 return _object_cast_to_QuadModifier(o)
7134 __swig_destroy__ = _IMP_kernel.delete_QuadModifier
7135 def __disown__(self):
7137 _IMP_kernel.disown_QuadModifier(self)
7138 return weakref.proxy(self)
7140 def do_get_inputs(self, m, pis):
7141 r"""do_get_inputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7142 return _IMP_kernel.QuadModifier_do_get_inputs(self, m, pis)
7144 def do_get_outputs(self, m, pis):
7145 r"""do_get_outputs(QuadModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7146 return _IMP_kernel.QuadModifier_do_get_outputs(self, m, pis)
7149 r"""do_destroy(QuadModifier self)"""
7150 return _IMP_kernel.QuadModifier_do_destroy(self)
7153 _IMP_kernel.QuadModifier_swigregister(QuadModifier)
7155 r"""Proxy of C++ IMP::QuadScore class."""
7157 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7159 def __init__(self, *args):
7160 r"""__init__(QuadScore self, std::string name="QuadScore %1%") -> QuadScore"""
7161 if self.__class__ == QuadScore:
7165 _IMP_kernel.QuadScore_swiginit(self, _IMP_kernel.new_QuadScore(_self, *args))
7167 if self.__class__ != QuadScore:
7168 _director_objects.register(self)
7173 def evaluate_index(self, m, vt, da):
7174 r"""evaluate_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da) -> double"""
7175 return _IMP_kernel.QuadScore_evaluate_index(self, m, vt, da)
7177 def check_indexes(self, m, pis):
7178 r"""check_indexes(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7179 return _IMP_kernel.QuadScore_check_indexes(self, m, pis)
7181 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7182 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"""
7183 return _IMP_kernel.QuadScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7185 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7186 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"""
7187 return _IMP_kernel.QuadScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7189 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7190 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"""
7191 return _IMP_kernel.QuadScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7193 def evaluate_if_good_index(self, m, vt, da, max):
7194 r"""evaluate_if_good_index(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt, DerivativeAccumulator da, double max) -> double"""
7195 return _IMP_kernel.QuadScore_evaluate_if_good_index(self, m, vt, da, max)
7197 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7198 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"""
7199 return _IMP_kernel.QuadScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7201 def create_current_decomposition(self, m, vt):
7202 r"""create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7203 return _IMP_kernel.QuadScore_create_current_decomposition(self, m, vt)
7205 def do_create_current_decomposition(self, m, vt):
7206 r"""do_create_current_decomposition(QuadScore self, Model m, IMP::ParticleIndexQuad const & vt) -> IMP::Restraints"""
7207 return _IMP_kernel.QuadScore_do_create_current_decomposition(self, m, vt)
7208 __swig_destroy__ = _IMP_kernel.delete_QuadScore
7211 r"""__str__(QuadScore self) -> std::string"""
7212 return _IMP_kernel.QuadScore___str__(self)
7215 r"""__repr__(QuadScore self) -> std::string"""
7216 return _IMP_kernel.QuadScore___repr__(self)
7220 return _object_cast_to_QuadScore(o)
7223 def do_show(self, out):
7228 return _object_cast_to_QuadScore(o)
7230 def __disown__(self):
7232 _IMP_kernel.disown_QuadScore(self)
7233 return weakref.proxy(self)
7235 def do_get_inputs(self, m, pis):
7236 r"""do_get_inputs(QuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7237 return _IMP_kernel.QuadScore_do_get_inputs(self, m, pis)
7240 r"""do_destroy(QuadScore self)"""
7241 return _IMP_kernel.QuadScore_do_destroy(self)
7244 _IMP_kernel.QuadScore_swigregister(QuadScore)
7246 r"""Proxy of C++ IMP::QuadPredicate class."""
7248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7250 def __init__(self, *args):
7251 r"""__init__(QuadPredicate self, std::string name="QuadPredicate %1%") -> QuadPredicate"""
7252 if self.__class__ == QuadPredicate:
7256 _IMP_kernel.QuadPredicate_swiginit(self, _IMP_kernel.new_QuadPredicate(_self, *args))
7258 if self.__class__ != QuadPredicate:
7259 _director_objects.register(self)
7264 def setup_for_get_value_index_in_batch(self, arg0):
7265 r"""setup_for_get_value_index_in_batch(QuadPredicate self, Model arg0)"""
7266 return _IMP_kernel.QuadPredicate_setup_for_get_value_index_in_batch(self, arg0)
7268 def get_value_index_in_batch(self, m, vt):
7269 r"""get_value_index_in_batch(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7270 return _IMP_kernel.QuadPredicate_get_value_index_in_batch(self, m, vt)
7272 def __call__(self, m, vt):
7273 r"""__call__(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int"""
7274 return _IMP_kernel.QuadPredicate___call__(self, m, vt)
7276 def get_value_index(self, *args):
7278 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuad const & vt) -> int
7279 get_value_index(QuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
7281 return _IMP_kernel.QuadPredicate_get_value_index(self, *args)
7282 __swig_destroy__ = _IMP_kernel.delete_QuadPredicate
7285 r"""__str__(QuadPredicate self) -> std::string"""
7286 return _IMP_kernel.QuadPredicate___str__(self)
7289 r"""__repr__(QuadPredicate self) -> std::string"""
7290 return _IMP_kernel.QuadPredicate___repr__(self)
7294 return _object_cast_to_QuadPredicate(o)
7297 def do_show(self, out):
7302 return _object_cast_to_QuadPredicate(o)
7304 def __disown__(self):
7306 _IMP_kernel.disown_QuadPredicate(self)
7307 return weakref.proxy(self)
7309 def do_get_inputs(self, m, pis):
7310 r"""do_get_inputs(QuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7311 return _IMP_kernel.QuadPredicate_do_get_inputs(self, m, pis)
7314 r"""do_destroy(QuadPredicate self)"""
7315 return _IMP_kernel.QuadPredicate_do_destroy(self)
7318 _IMP_kernel.QuadPredicate_swigregister(QuadPredicate)
7320 r"""Proxy of C++ IMP::QuadContainer class."""
7322 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7324 def apply_generic(self, m):
7325 r"""apply_generic(QuadContainer self, QuadModifier m)"""
7326 return _IMP_kernel.QuadContainer_apply_generic(self, m)
7328 def apply_generic_moved(self, m, moved_pis, reset_pis):
7329 r"""apply_generic_moved(QuadContainer self, QuadModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7330 return _IMP_kernel.QuadContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7332 def apply(self, sm):
7333 r"""apply(QuadContainer self, QuadModifier sm)"""
7334 return _IMP_kernel.QuadContainer_apply(self, sm)
7336 def apply_moved(self, sm, moved_pis, reset_pis):
7337 r"""apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7338 return _IMP_kernel.QuadContainer_apply_moved(self, sm, moved_pis, reset_pis)
7340 def get_range_indexes(self):
7341 r"""get_range_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7342 return _IMP_kernel.QuadContainer_get_range_indexes(self)
7344 def get_contents(self):
7345 r"""get_contents(QuadContainer self) -> IMP::ParticleIndexQuads const &"""
7346 return _IMP_kernel.QuadContainer_get_contents(self)
7349 r"""get_indexes(QuadContainer self) -> IMP::ParticleIndexQuads"""
7350 return _IMP_kernel.QuadContainer_get_indexes(self)
7352 def get(self, *args):
7354 get(QuadContainer self) -> IMP::ParticleQuadsTemp
7355 get(QuadContainer self, unsigned int i) -> IMP::ParticleQuad
7357 return _IMP_kernel.QuadContainer_get(self, *args)
7359 def get_number(self):
7360 r"""get_number(QuadContainer self) -> unsigned int"""
7361 return _IMP_kernel.QuadContainer_get_number(self)
7363 def __init__(self, *args):
7365 __init__(QuadContainer self, Model m, std::string name="QuadContainer %1%") -> QuadContainer
7366 __init__(QuadContainer self) -> QuadContainer
7368 if self.__class__ == QuadContainer:
7372 _IMP_kernel.QuadContainer_swiginit(self, _IMP_kernel.new_QuadContainer(_self, *args))
7374 if self.__class__ != QuadContainer:
7375 _director_objects.register(self)
7380 def do_apply(self, sm):
7381 r"""do_apply(QuadContainer self, QuadModifier sm)"""
7382 return _IMP_kernel.QuadContainer_do_apply(self, sm)
7384 def do_apply_moved(self, sm, moved_pis, reset_pis):
7385 r"""do_apply_moved(QuadContainer self, QuadModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7386 return _IMP_kernel.QuadContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7388 def do_get_provides_access(self):
7389 r"""do_get_provides_access(QuadContainer self) -> bool"""
7390 return _IMP_kernel.QuadContainer_do_get_provides_access(self)
7391 __swig_destroy__ = _IMP_kernel.delete_QuadContainer
7394 r"""__str__(QuadContainer self) -> std::string"""
7395 return _IMP_kernel.QuadContainer___str__(self)
7398 r"""__repr__(QuadContainer self) -> std::string"""
7399 return _IMP_kernel.QuadContainer___repr__(self)
7403 return _object_cast_to_QuadContainer(o)
7406 def do_show(self, out):
7411 return _object_cast_to_QuadContainer(o)
7413 def __disown__(self):
7415 _IMP_kernel.disown_QuadContainer(self)
7416 return weakref.proxy(self)
7419 r"""do_destroy(QuadContainer self)"""
7420 return _IMP_kernel.QuadContainer_do_destroy(self)
7422 def handle_set_has_required_score_states(self, arg0):
7423 r"""handle_set_has_required_score_states(QuadContainer self, bool arg0)"""
7424 return _IMP_kernel.QuadContainer_handle_set_has_required_score_states(self, arg0)
7426 def do_get_inputs(self):
7427 r"""do_get_inputs(QuadContainer self) -> IMP::ModelObjectsTemp"""
7428 return _IMP_kernel.QuadContainer_do_get_inputs(self)
7430 def do_get_interactions(self):
7431 r"""do_get_interactions(QuadContainer self) -> IMP::ModelObjectsTemps"""
7432 return _IMP_kernel.QuadContainer_do_get_interactions(self)
7434 def do_get_contents_hash(self):
7435 r"""do_get_contents_hash(QuadContainer self) -> std::size_t"""
7436 return _IMP_kernel.QuadContainer_do_get_contents_hash(self)
7439 _IMP_kernel.QuadContainer_swigregister(QuadContainer)
7440 class _QuadContainerAdaptor(_InputAdaptor):
7441 r"""Proxy of C++ IMP::QuadContainerAdaptor class."""
7443 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7444 __repr__ = _swig_repr
7446 def __init__(self, *args):
7448 __init__(_QuadContainerAdaptor self) -> _QuadContainerAdaptor
7449 __init__(_QuadContainerAdaptor self, QuadContainer c) -> _QuadContainerAdaptor
7450 __init__(_QuadContainerAdaptor self, IMP::ParticleQuadsTemp const & t) -> _QuadContainerAdaptor
7452 _IMP_kernel._QuadContainerAdaptor_swiginit(self, _IMP_kernel.new__QuadContainerAdaptor(*args))
7454 def set_name_if_default(self, name):
7455 r"""set_name_if_default(_QuadContainerAdaptor self, std::string name)"""
7456 return _IMP_kernel._QuadContainerAdaptor_set_name_if_default(self, name)
7457 __swig_destroy__ = _IMP_kernel.delete__QuadContainerAdaptor
7460 _IMP_kernel._QuadContainerAdaptor_swigregister(_QuadContainerAdaptor)
7462 r"""Proxy of C++ IMP::SingletonModifier class."""
7464 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7466 def __init__(self, *args):
7467 r"""__init__(SingletonModifier self, std::string name="SingletonModifier %1%") -> SingletonModifier"""
7468 if self.__class__ == SingletonModifier:
7472 _IMP_kernel.SingletonModifier_swiginit(self, _IMP_kernel.new_SingletonModifier(_self, *args))
7474 if self.__class__ != SingletonModifier:
7475 _director_objects.register(self)
7480 def apply_index(self, m, v):
7481 r"""apply_index(SingletonModifier self, Model m, ParticleIndex v)"""
7482 return _IMP_kernel.SingletonModifier_apply_index(self, m, v)
7484 def apply_indexes(self, m, o, lower_bound, upper_bound):
7485 r"""apply_indexes(SingletonModifier self, Model m, IMP::ParticleIndexes const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7486 return _IMP_kernel.SingletonModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7488 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7489 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)"""
7490 return _IMP_kernel.SingletonModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7493 r"""__str__(SingletonModifier self) -> std::string"""
7494 return _IMP_kernel.SingletonModifier___str__(self)
7497 r"""__repr__(SingletonModifier self) -> std::string"""
7498 return _IMP_kernel.SingletonModifier___repr__(self)
7502 return _object_cast_to_SingletonModifier(o)
7505 def do_show(self, out):
7510 return _object_cast_to_SingletonModifier(o)
7513 def _wrap_jax(self, apply_func, keys=None):
7514 """Create the return value for _get_jax.
7515 Use this method in _get_jax() to wrap the JAX function
7516 with other modifier-specific information.
7518 @param apply_func A function implemented using JAX that takes
7519 one argument (the current JAX Model) and returns a new
7521 @param keys Model attributes used by the SingletonModifier.
7522 See IMP::Restraint::_wrap_jax.
7524 from IMP._jax_util
import JAXModifierInfo
7525 return JAXModifierInfo(apply_func=apply_func, keys=keys)
7527 def _get_jax(self, m, indexes):
7528 """Return a JAX implementation of this SingletonModifier.
7529 Implement this method in a SingletonModifier subclass to provide
7530 an equivalent function using [JAX](https://docs.jax.dev/)
7531 that modifies the current JAX Model. See also _wrap_jax.
7533 @param m The IMP.Model that the modifier will act on.
7534 @param indexes The ParticleIndexes that the modifier will act on.
7536 raise NotImplementedError(
7537 f
"No JAX implementation for {self} ({type(self)})")
7539 __swig_destroy__ = _IMP_kernel.delete_SingletonModifier
7540 def __disown__(self):
7542 _IMP_kernel.disown_SingletonModifier(self)
7543 return weakref.proxy(self)
7545 def do_get_inputs(self, m, pis):
7546 r"""do_get_inputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7547 return _IMP_kernel.SingletonModifier_do_get_inputs(self, m, pis)
7549 def do_get_outputs(self, m, pis):
7550 r"""do_get_outputs(SingletonModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7551 return _IMP_kernel.SingletonModifier_do_get_outputs(self, m, pis)
7554 r"""do_destroy(SingletonModifier self)"""
7555 return _IMP_kernel.SingletonModifier_do_destroy(self)
7558 _IMP_kernel.SingletonModifier_swigregister(SingletonModifier)
7560 r"""Proxy of C++ IMP::SingletonScore class."""
7562 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7564 def __init__(self, *args):
7565 r"""__init__(SingletonScore self, std::string name="SingletonScore %1%") -> SingletonScore"""
7566 if self.__class__ == SingletonScore:
7570 _IMP_kernel.SingletonScore_swiginit(self, _IMP_kernel.new_SingletonScore(_self, *args))
7572 if self.__class__ != SingletonScore:
7573 _director_objects.register(self)
7578 def evaluate_index(self, m, vt, da):
7579 r"""evaluate_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da) -> double"""
7580 return _IMP_kernel.SingletonScore_evaluate_index(self, m, vt, da)
7582 def check_indexes(self, m, pis):
7583 r"""check_indexes(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7584 return _IMP_kernel.SingletonScore_check_indexes(self, m, pis)
7586 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7587 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"""
7588 return _IMP_kernel.SingletonScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7590 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7591 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"""
7592 return _IMP_kernel.SingletonScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7594 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7595 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"""
7596 return _IMP_kernel.SingletonScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7598 def evaluate_if_good_index(self, m, vt, da, max):
7599 r"""evaluate_if_good_index(SingletonScore self, Model m, ParticleIndex vt, DerivativeAccumulator da, double max) -> double"""
7600 return _IMP_kernel.SingletonScore_evaluate_if_good_index(self, m, vt, da, max)
7602 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7603 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"""
7604 return _IMP_kernel.SingletonScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7606 def create_current_decomposition(self, m, vt):
7607 r"""create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7608 return _IMP_kernel.SingletonScore_create_current_decomposition(self, m, vt)
7610 def do_create_current_decomposition(self, m, vt):
7611 r"""do_create_current_decomposition(SingletonScore self, Model m, ParticleIndex vt) -> IMP::Restraints"""
7612 return _IMP_kernel.SingletonScore_do_create_current_decomposition(self, m, vt)
7613 __swig_destroy__ = _IMP_kernel.delete_SingletonScore
7616 r"""__str__(SingletonScore self) -> std::string"""
7617 return _IMP_kernel.SingletonScore___str__(self)
7620 r"""__repr__(SingletonScore self) -> std::string"""
7621 return _IMP_kernel.SingletonScore___repr__(self)
7625 return _object_cast_to_SingletonScore(o)
7628 def do_show(self, out):
7633 return _object_cast_to_SingletonScore(o)
7636 def _wrap_jax(self, m, score_func, keys=None):
7637 """See IMP::PairScore::_wrap_jax"""
7638 from IMP._jax_util
import JAXScoreInfo
7639 return JAXScoreInfo(m, score_func=score_func, keys=keys)
7641 def _get_jax(self, m, indexes):
7642 """See IMP::PairScore::_get_jax"""
7643 raise NotImplementedError(
7644 f
"No JAX implementation for {self} ({type(self)})")
7646 def __disown__(self):
7648 _IMP_kernel.disown_SingletonScore(self)
7649 return weakref.proxy(self)
7651 def do_get_inputs(self, m, pis):
7652 r"""do_get_inputs(SingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7653 return _IMP_kernel.SingletonScore_do_get_inputs(self, m, pis)
7656 r"""do_destroy(SingletonScore self)"""
7657 return _IMP_kernel.SingletonScore_do_destroy(self)
7660 _IMP_kernel.SingletonScore_swigregister(SingletonScore)
7662 r"""Proxy of C++ IMP::SingletonPredicate class."""
7664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7666 def __init__(self, *args):
7667 r"""__init__(SingletonPredicate self, std::string name="SingletonPredicate %1%") -> SingletonPredicate"""
7668 if self.__class__ == SingletonPredicate:
7672 _IMP_kernel.SingletonPredicate_swiginit(self, _IMP_kernel.new_SingletonPredicate(_self, *args))
7674 if self.__class__ != SingletonPredicate:
7675 _director_objects.register(self)
7680 def setup_for_get_value_index_in_batch(self, arg0):
7681 r"""setup_for_get_value_index_in_batch(SingletonPredicate self, Model arg0)"""
7682 return _IMP_kernel.SingletonPredicate_setup_for_get_value_index_in_batch(self, arg0)
7684 def get_value_index_in_batch(self, m, vt):
7685 r"""get_value_index_in_batch(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7686 return _IMP_kernel.SingletonPredicate_get_value_index_in_batch(self, m, vt)
7688 def __call__(self, m, vt):
7689 r"""__call__(SingletonPredicate self, Model m, ParticleIndex vt) -> int"""
7690 return _IMP_kernel.SingletonPredicate___call__(self, m, vt)
7692 def get_value_index(self, *args):
7694 get_value_index(SingletonPredicate self, Model m, ParticleIndex vt) -> int
7695 get_value_index(SingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
7697 return _IMP_kernel.SingletonPredicate_get_value_index(self, *args)
7698 __swig_destroy__ = _IMP_kernel.delete_SingletonPredicate
7701 r"""__str__(SingletonPredicate self) -> std::string"""
7702 return _IMP_kernel.SingletonPredicate___str__(self)
7705 r"""__repr__(SingletonPredicate self) -> std::string"""
7706 return _IMP_kernel.SingletonPredicate___repr__(self)
7710 return _object_cast_to_SingletonPredicate(o)
7713 def do_show(self, out):
7718 return _object_cast_to_SingletonPredicate(o)
7720 def __disown__(self):
7722 _IMP_kernel.disown_SingletonPredicate(self)
7723 return weakref.proxy(self)
7725 def do_get_inputs(self, m, pis):
7726 r"""do_get_inputs(SingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7727 return _IMP_kernel.SingletonPredicate_do_get_inputs(self, m, pis)
7730 r"""do_destroy(SingletonPredicate self)"""
7731 return _IMP_kernel.SingletonPredicate_do_destroy(self)
7734 _IMP_kernel.SingletonPredicate_swigregister(SingletonPredicate)
7736 r"""Proxy of C++ IMP::SingletonContainer class."""
7738 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7740 def apply_generic(self, m):
7741 r"""apply_generic(SingletonContainer self, SingletonModifier m)"""
7742 return _IMP_kernel.SingletonContainer_apply_generic(self, m)
7744 def apply_generic_moved(self, m, moved_pis, reset_pis):
7745 r"""apply_generic_moved(SingletonContainer self, SingletonModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7746 return _IMP_kernel.SingletonContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
7748 def apply(self, sm):
7749 r"""apply(SingletonContainer self, SingletonModifier sm)"""
7750 return _IMP_kernel.SingletonContainer_apply(self, sm)
7752 def apply_moved(self, sm, moved_pis, reset_pis):
7753 r"""apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7754 return _IMP_kernel.SingletonContainer_apply_moved(self, sm, moved_pis, reset_pis)
7756 def get_range_indexes(self):
7757 r"""get_range_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7758 return _IMP_kernel.SingletonContainer_get_range_indexes(self)
7760 def get_contents(self):
7761 r"""get_contents(SingletonContainer self) -> IMP::ParticleIndexes const &"""
7762 return _IMP_kernel.SingletonContainer_get_contents(self)
7765 r"""get_indexes(SingletonContainer self) -> IMP::ParticleIndexes"""
7766 return _IMP_kernel.SingletonContainer_get_indexes(self)
7768 def get(self, *args):
7770 get(SingletonContainer self) -> IMP::ParticlesTemp
7771 get(SingletonContainer self, unsigned int i) -> Particle
7773 return _IMP_kernel.SingletonContainer_get(self, *args)
7775 def get_number(self):
7776 r"""get_number(SingletonContainer self) -> unsigned int"""
7777 return _IMP_kernel.SingletonContainer_get_number(self)
7779 def __init__(self, *args):
7781 __init__(SingletonContainer self, Model m, std::string name="SingletonContainer %1%") -> SingletonContainer
7782 __init__(SingletonContainer self) -> SingletonContainer
7784 if self.__class__ == SingletonContainer:
7788 _IMP_kernel.SingletonContainer_swiginit(self, _IMP_kernel.new_SingletonContainer(_self, *args))
7790 if self.__class__ != SingletonContainer:
7791 _director_objects.register(self)
7796 def do_apply(self, sm):
7797 r"""do_apply(SingletonContainer self, SingletonModifier sm)"""
7798 return _IMP_kernel.SingletonContainer_do_apply(self, sm)
7800 def do_apply_moved(self, sm, moved_pis, reset_pis):
7801 r"""do_apply_moved(SingletonContainer self, SingletonModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
7802 return _IMP_kernel.SingletonContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
7804 def do_get_provides_access(self):
7805 r"""do_get_provides_access(SingletonContainer self) -> bool"""
7806 return _IMP_kernel.SingletonContainer_do_get_provides_access(self)
7807 __swig_destroy__ = _IMP_kernel.delete_SingletonContainer
7810 r"""__str__(SingletonContainer self) -> std::string"""
7811 return _IMP_kernel.SingletonContainer___str__(self)
7814 r"""__repr__(SingletonContainer self) -> std::string"""
7815 return _IMP_kernel.SingletonContainer___repr__(self)
7819 return _object_cast_to_SingletonContainer(o)
7822 def do_show(self, out):
7827 return _object_cast_to_SingletonContainer(o)
7829 def __disown__(self):
7831 _IMP_kernel.disown_SingletonContainer(self)
7832 return weakref.proxy(self)
7835 r"""do_destroy(SingletonContainer self)"""
7836 return _IMP_kernel.SingletonContainer_do_destroy(self)
7838 def handle_set_has_required_score_states(self, arg0):
7839 r"""handle_set_has_required_score_states(SingletonContainer self, bool arg0)"""
7840 return _IMP_kernel.SingletonContainer_handle_set_has_required_score_states(self, arg0)
7842 def do_get_inputs(self):
7843 r"""do_get_inputs(SingletonContainer self) -> IMP::ModelObjectsTemp"""
7844 return _IMP_kernel.SingletonContainer_do_get_inputs(self)
7846 def do_get_interactions(self):
7847 r"""do_get_interactions(SingletonContainer self) -> IMP::ModelObjectsTemps"""
7848 return _IMP_kernel.SingletonContainer_do_get_interactions(self)
7850 def do_get_contents_hash(self):
7851 r"""do_get_contents_hash(SingletonContainer self) -> std::size_t"""
7852 return _IMP_kernel.SingletonContainer_do_get_contents_hash(self)
7855 _IMP_kernel.SingletonContainer_swigregister(SingletonContainer)
7856 class _SingletonContainerAdaptor(_InputAdaptor):
7857 r"""Proxy of C++ IMP::SingletonContainerAdaptor class."""
7859 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7860 __repr__ = _swig_repr
7862 def __init__(self, *args):
7864 __init__(_SingletonContainerAdaptor self) -> _SingletonContainerAdaptor
7865 __init__(_SingletonContainerAdaptor self, SingletonContainer c) -> _SingletonContainerAdaptor
7866 __init__(_SingletonContainerAdaptor self, IMP::ParticlesTemp const & t) -> _SingletonContainerAdaptor
7868 _IMP_kernel._SingletonContainerAdaptor_swiginit(self, _IMP_kernel.new__SingletonContainerAdaptor(*args))
7870 def set_name_if_default(self, name):
7871 r"""set_name_if_default(_SingletonContainerAdaptor self, std::string name)"""
7872 return _IMP_kernel._SingletonContainerAdaptor_set_name_if_default(self, name)
7873 __swig_destroy__ = _IMP_kernel.delete__SingletonContainerAdaptor
7876 _IMP_kernel._SingletonContainerAdaptor_swigregister(_SingletonContainerAdaptor)
7878 r"""Proxy of C++ IMP::TripletModifier class."""
7880 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7882 def __init__(self, *args):
7883 r"""__init__(TripletModifier self, std::string name="TripletModifier %1%") -> TripletModifier"""
7884 if self.__class__ == TripletModifier:
7888 _IMP_kernel.TripletModifier_swiginit(self, _IMP_kernel.new_TripletModifier(_self, *args))
7890 if self.__class__ != TripletModifier:
7891 _director_objects.register(self)
7896 def apply_index(self, m, v):
7897 r"""apply_index(TripletModifier self, Model m, IMP::ParticleIndexTriplet const & v)"""
7898 return _IMP_kernel.TripletModifier_apply_index(self, m, v)
7900 def apply_indexes(self, m, o, lower_bound, upper_bound):
7901 r"""apply_indexes(TripletModifier self, Model m, IMP::ParticleIndexTriplets const & o, unsigned int lower_bound, unsigned int upper_bound)"""
7902 return _IMP_kernel.TripletModifier_apply_indexes(self, m, o, lower_bound, upper_bound)
7904 def apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis):
7905 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)"""
7906 return _IMP_kernel.TripletModifier_apply_indexes_moved(self, m, o, lower_bound, upper_bound, moved_pis, reset_pis)
7909 r"""__str__(TripletModifier self) -> std::string"""
7910 return _IMP_kernel.TripletModifier___str__(self)
7913 r"""__repr__(TripletModifier self) -> std::string"""
7914 return _IMP_kernel.TripletModifier___repr__(self)
7918 return _object_cast_to_TripletModifier(o)
7921 def do_show(self, out):
7926 return _object_cast_to_TripletModifier(o)
7928 __swig_destroy__ = _IMP_kernel.delete_TripletModifier
7929 def __disown__(self):
7931 _IMP_kernel.disown_TripletModifier(self)
7932 return weakref.proxy(self)
7934 def do_get_inputs(self, m, pis):
7935 r"""do_get_inputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7936 return _IMP_kernel.TripletModifier_do_get_inputs(self, m, pis)
7938 def do_get_outputs(self, m, pis):
7939 r"""do_get_outputs(TripletModifier self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7940 return _IMP_kernel.TripletModifier_do_get_outputs(self, m, pis)
7943 r"""do_destroy(TripletModifier self)"""
7944 return _IMP_kernel.TripletModifier_do_destroy(self)
7947 _IMP_kernel.TripletModifier_swigregister(TripletModifier)
7949 r"""Proxy of C++ IMP::TripletScore class."""
7951 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7953 def __init__(self, *args):
7954 r"""__init__(TripletScore self, std::string name="TripletScore %1%") -> TripletScore"""
7955 if self.__class__ == TripletScore:
7959 _IMP_kernel.TripletScore_swiginit(self, _IMP_kernel.new_TripletScore(_self, *args))
7961 if self.__class__ != TripletScore:
7962 _director_objects.register(self)
7967 def evaluate_index(self, m, vt, da):
7968 r"""evaluate_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da) -> double"""
7969 return _IMP_kernel.TripletScore_evaluate_index(self, m, vt, da)
7971 def check_indexes(self, m, pis):
7972 r"""check_indexes(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> bool"""
7973 return _IMP_kernel.TripletScore_check_indexes(self, m, pis)
7975 def evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked=False):
7976 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"""
7977 return _IMP_kernel.TripletScore_evaluate_indexes(self, m, o, da, lower_bound, upper_bound, all_indexes_checked)
7979 def evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7980 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"""
7981 return _IMP_kernel.TripletScore_evaluate_indexes_scores(self, m, o, da, lower_bound, upper_bound, score, all_indexes_checked)
7983 def evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked=False):
7984 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"""
7985 return _IMP_kernel.TripletScore_evaluate_indexes_delta(self, m, o, da, indexes, score, all_indexes_checked)
7987 def evaluate_if_good_index(self, m, vt, da, max):
7988 r"""evaluate_if_good_index(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt, DerivativeAccumulator da, double max) -> double"""
7989 return _IMP_kernel.TripletScore_evaluate_if_good_index(self, m, vt, da, max)
7991 def evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked=False):
7992 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"""
7993 return _IMP_kernel.TripletScore_evaluate_if_good_indexes(self, m, o, da, max, lower_bound, upper_bound, all_indexes_checked)
7995 def create_current_decomposition(self, m, vt):
7996 r"""create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
7997 return _IMP_kernel.TripletScore_create_current_decomposition(self, m, vt)
7999 def do_create_current_decomposition(self, m, vt):
8000 r"""do_create_current_decomposition(TripletScore self, Model m, IMP::ParticleIndexTriplet const & vt) -> IMP::Restraints"""
8001 return _IMP_kernel.TripletScore_do_create_current_decomposition(self, m, vt)
8002 __swig_destroy__ = _IMP_kernel.delete_TripletScore
8005 r"""__str__(TripletScore self) -> std::string"""
8006 return _IMP_kernel.TripletScore___str__(self)
8009 r"""__repr__(TripletScore self) -> std::string"""
8010 return _IMP_kernel.TripletScore___repr__(self)
8014 return _object_cast_to_TripletScore(o)
8017 def do_show(self, out):
8022 return _object_cast_to_TripletScore(o)
8024 def __disown__(self):
8026 _IMP_kernel.disown_TripletScore(self)
8027 return weakref.proxy(self)
8029 def do_get_inputs(self, m, pis):
8030 r"""do_get_inputs(TripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8031 return _IMP_kernel.TripletScore_do_get_inputs(self, m, pis)
8034 r"""do_destroy(TripletScore self)"""
8035 return _IMP_kernel.TripletScore_do_destroy(self)
8038 _IMP_kernel.TripletScore_swigregister(TripletScore)
8040 r"""Proxy of C++ IMP::TripletPredicate class."""
8042 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8044 def __init__(self, *args):
8045 r"""__init__(TripletPredicate self, std::string name="TripletPredicate %1%") -> TripletPredicate"""
8046 if self.__class__ == TripletPredicate:
8050 _IMP_kernel.TripletPredicate_swiginit(self, _IMP_kernel.new_TripletPredicate(_self, *args))
8052 if self.__class__ != TripletPredicate:
8053 _director_objects.register(self)
8058 def setup_for_get_value_index_in_batch(self, arg0):
8059 r"""setup_for_get_value_index_in_batch(TripletPredicate self, Model arg0)"""
8060 return _IMP_kernel.TripletPredicate_setup_for_get_value_index_in_batch(self, arg0)
8062 def get_value_index_in_batch(self, m, vt):
8063 r"""get_value_index_in_batch(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8064 return _IMP_kernel.TripletPredicate_get_value_index_in_batch(self, m, vt)
8066 def __call__(self, m, vt):
8067 r"""__call__(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int"""
8068 return _IMP_kernel.TripletPredicate___call__(self, m, vt)
8070 def get_value_index(self, *args):
8072 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplet const & vt) -> int
8073 get_value_index(TripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
8075 return _IMP_kernel.TripletPredicate_get_value_index(self, *args)
8076 __swig_destroy__ = _IMP_kernel.delete_TripletPredicate
8079 r"""__str__(TripletPredicate self) -> std::string"""
8080 return _IMP_kernel.TripletPredicate___str__(self)
8083 r"""__repr__(TripletPredicate self) -> std::string"""
8084 return _IMP_kernel.TripletPredicate___repr__(self)
8088 return _object_cast_to_TripletPredicate(o)
8091 def do_show(self, out):
8096 return _object_cast_to_TripletPredicate(o)
8098 def __disown__(self):
8100 _IMP_kernel.disown_TripletPredicate(self)
8101 return weakref.proxy(self)
8103 def do_get_inputs(self, m, pis):
8104 r"""do_get_inputs(TripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8105 return _IMP_kernel.TripletPredicate_do_get_inputs(self, m, pis)
8108 r"""do_destroy(TripletPredicate self)"""
8109 return _IMP_kernel.TripletPredicate_do_destroy(self)
8112 _IMP_kernel.TripletPredicate_swigregister(TripletPredicate)
8114 r"""Proxy of C++ IMP::TripletContainer class."""
8116 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8118 def apply_generic(self, m):
8119 r"""apply_generic(TripletContainer self, TripletModifier m)"""
8120 return _IMP_kernel.TripletContainer_apply_generic(self, m)
8122 def apply_generic_moved(self, m, moved_pis, reset_pis):
8123 r"""apply_generic_moved(TripletContainer self, TripletModifier m, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8124 return _IMP_kernel.TripletContainer_apply_generic_moved(self, m, moved_pis, reset_pis)
8126 def apply(self, sm):
8127 r"""apply(TripletContainer self, TripletModifier sm)"""
8128 return _IMP_kernel.TripletContainer_apply(self, sm)
8130 def apply_moved(self, sm, moved_pis, reset_pis):
8131 r"""apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8132 return _IMP_kernel.TripletContainer_apply_moved(self, sm, moved_pis, reset_pis)
8134 def get_range_indexes(self):
8135 r"""get_range_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8136 return _IMP_kernel.TripletContainer_get_range_indexes(self)
8138 def get_contents(self):
8139 r"""get_contents(TripletContainer self) -> IMP::ParticleIndexTriplets const &"""
8140 return _IMP_kernel.TripletContainer_get_contents(self)
8143 r"""get_indexes(TripletContainer self) -> IMP::ParticleIndexTriplets"""
8144 return _IMP_kernel.TripletContainer_get_indexes(self)
8146 def get(self, *args):
8148 get(TripletContainer self) -> IMP::ParticleTripletsTemp
8149 get(TripletContainer self, unsigned int i) -> IMP::ParticleTriplet
8151 return _IMP_kernel.TripletContainer_get(self, *args)
8153 def get_number(self):
8154 r"""get_number(TripletContainer self) -> unsigned int"""
8155 return _IMP_kernel.TripletContainer_get_number(self)
8157 def __init__(self, *args):
8159 __init__(TripletContainer self, Model m, std::string name="TripletContainer %1%") -> TripletContainer
8160 __init__(TripletContainer self) -> TripletContainer
8162 if self.__class__ == TripletContainer:
8166 _IMP_kernel.TripletContainer_swiginit(self, _IMP_kernel.new_TripletContainer(_self, *args))
8168 if self.__class__ != TripletContainer:
8169 _director_objects.register(self)
8174 def do_apply(self, sm):
8175 r"""do_apply(TripletContainer self, TripletModifier sm)"""
8176 return _IMP_kernel.TripletContainer_do_apply(self, sm)
8178 def do_apply_moved(self, sm, moved_pis, reset_pis):
8179 r"""do_apply_moved(TripletContainer self, TripletModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
8180 return _IMP_kernel.TripletContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
8182 def do_get_provides_access(self):
8183 r"""do_get_provides_access(TripletContainer self) -> bool"""
8184 return _IMP_kernel.TripletContainer_do_get_provides_access(self)
8185 __swig_destroy__ = _IMP_kernel.delete_TripletContainer
8188 r"""__str__(TripletContainer self) -> std::string"""
8189 return _IMP_kernel.TripletContainer___str__(self)
8192 r"""__repr__(TripletContainer self) -> std::string"""
8193 return _IMP_kernel.TripletContainer___repr__(self)
8197 return _object_cast_to_TripletContainer(o)
8200 def do_show(self, out):
8205 return _object_cast_to_TripletContainer(o)
8207 def __disown__(self):
8209 _IMP_kernel.disown_TripletContainer(self)
8210 return weakref.proxy(self)
8213 r"""do_destroy(TripletContainer self)"""
8214 return _IMP_kernel.TripletContainer_do_destroy(self)
8216 def handle_set_has_required_score_states(self, arg0):
8217 r"""handle_set_has_required_score_states(TripletContainer self, bool arg0)"""
8218 return _IMP_kernel.TripletContainer_handle_set_has_required_score_states(self, arg0)
8220 def do_get_inputs(self):
8221 r"""do_get_inputs(TripletContainer self) -> IMP::ModelObjectsTemp"""
8222 return _IMP_kernel.TripletContainer_do_get_inputs(self)
8224 def do_get_interactions(self):
8225 r"""do_get_interactions(TripletContainer self) -> IMP::ModelObjectsTemps"""
8226 return _IMP_kernel.TripletContainer_do_get_interactions(self)
8228 def do_get_contents_hash(self):
8229 r"""do_get_contents_hash(TripletContainer self) -> std::size_t"""
8230 return _IMP_kernel.TripletContainer_do_get_contents_hash(self)
8233 _IMP_kernel.TripletContainer_swigregister(TripletContainer)
8234 class _TripletContainerAdaptor(_InputAdaptor):
8235 r"""Proxy of C++ IMP::TripletContainerAdaptor class."""
8237 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8238 __repr__ = _swig_repr
8240 def __init__(self, *args):
8242 __init__(_TripletContainerAdaptor self) -> _TripletContainerAdaptor
8243 __init__(_TripletContainerAdaptor self, TripletContainer c) -> _TripletContainerAdaptor
8244 __init__(_TripletContainerAdaptor self, IMP::ParticleTripletsTemp const & t) -> _TripletContainerAdaptor
8246 _IMP_kernel._TripletContainerAdaptor_swiginit(self, _IMP_kernel.new__TripletContainerAdaptor(*args))
8248 def set_name_if_default(self, name):
8249 r"""set_name_if_default(_TripletContainerAdaptor self, std::string name)"""
8250 return _IMP_kernel._TripletContainerAdaptor_set_name_if_default(self, name)
8251 __swig_destroy__ = _IMP_kernel.delete__TripletContainerAdaptor
8254 _IMP_kernel._TripletContainerAdaptor_swigregister(_TripletContainerAdaptor)
8257 r"""write_particles_to_buffer(IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys) -> IMP::Vector< char,std::allocator< char > >"""
8258 return _IMP_kernel.write_particles_to_buffer(particles, keys)
8261 r"""read_particles_from_buffer(IMP::Vector< char,std::allocator< char > > const & buffer, IMP::ParticlesTemp const & particles, IMP::FloatKeys const & keys)"""
8262 return _IMP_kernel.read_particles_from_buffer(buffer, particles, keys)
8265 r"""get_particles(Model m, IMP::ParticleIndexes const & ps) -> IMP::ParticlesTemp"""
8266 return _IMP_kernel.get_particles(m, ps)
8270 get_indexes(IMP::ParticlesTemp const & ps) -> IMP::ParticleIndexes
8271 get_indexes(IMP::ParticlePairsTemp const & ps) -> IMP::ParticleIndexPairs
8273 return _IMP_kernel.get_indexes(*args)
8274 class _ParticleIndexAdaptor(object):
8275 r"""Proxy of C++ IMP::ParticleIndexAdaptor class."""
8277 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8278 __repr__ = _swig_repr
8280 def __init__(self, *args):
8282 __init__(_ParticleIndexAdaptor self, Particle p) -> _ParticleIndexAdaptor
8283 __init__(_ParticleIndexAdaptor self, ParticleIndex pi) -> _ParticleIndexAdaptor
8284 __init__(_ParticleIndexAdaptor self, Decorator d) -> _ParticleIndexAdaptor
8286 _IMP_kernel._ParticleIndexAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexAdaptor(*args))
8287 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexAdaptor
8290 _IMP_kernel._ParticleIndexAdaptor_swigregister(_ParticleIndexAdaptor)
8291 class _ParticleIndexesAdaptor(_InputAdaptor):
8292 r"""Proxy of C++ IMP::ParticleIndexesAdaptor class."""
8294 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8295 __repr__ = _swig_repr
8297 def __init__(self, *args):
8299 __init__(_ParticleIndexesAdaptor self, IMP::ParticlesTemp const & ps) -> _ParticleIndexesAdaptor
8300 __init__(_ParticleIndexesAdaptor self, IMP::ParticleIndexes const & pi) -> _ParticleIndexesAdaptor
8301 __init__(_ParticleIndexesAdaptor self) -> _ParticleIndexesAdaptor
8303 _IMP_kernel._ParticleIndexesAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexesAdaptor(*args))
8304 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexesAdaptor
8307 _IMP_kernel._ParticleIndexesAdaptor_swigregister(_ParticleIndexesAdaptor)
8308 class _ParticleIndexPairsAdaptor(object):
8309 r"""Proxy of C++ IMP::ParticleIndexPairsAdaptor class."""
8311 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8312 __repr__ = _swig_repr
8314 def __init__(self, *args):
8316 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticlePairsTemp const & ps) -> _ParticleIndexPairsAdaptor
8317 __init__(_ParticleIndexPairsAdaptor self, IMP::ParticleIndexPairs const & pi) -> _ParticleIndexPairsAdaptor
8318 __init__(_ParticleIndexPairsAdaptor self) -> _ParticleIndexPairsAdaptor
8320 _IMP_kernel._ParticleIndexPairsAdaptor_swiginit(self, _IMP_kernel.new__ParticleIndexPairsAdaptor(*args))
8321 __swig_destroy__ = _IMP_kernel.delete__ParticleIndexPairsAdaptor
8324 _IMP_kernel._ParticleIndexPairsAdaptor_swigregister(_ParticleIndexPairsAdaptor)
8326 r"""Proxy of C++ IMP::internal::_ConstRestraint class."""
8328 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8330 def __init__(self, *args):
8332 __init__(_ConstRestraint self, Model m, IMP::ParticleIndexes const & pis, double v) -> _ConstRestraint
8333 __init__(_ConstRestraint self) -> _ConstRestraint
8335 _IMP_kernel._ConstRestraint_swiginit(self, _IMP_kernel.new__ConstRestraint(*args))
8337 def get_value(self):
8338 r"""get_value(_ConstRestraint self) -> double"""
8339 return _IMP_kernel._ConstRestraint_get_value(self)
8341 def do_create_decomposition(self):
8342 r"""do_create_decomposition(_ConstRestraint self) -> IMP::Restraints"""
8343 return _IMP_kernel._ConstRestraint_do_create_decomposition(self)
8345 def do_get_inputs(self):
8346 r"""do_get_inputs(_ConstRestraint self) -> IMP::ModelObjectsTemp"""
8347 return _IMP_kernel._ConstRestraint_do_get_inputs(self)
8350 r"""get_version_info(_ConstRestraint self) -> VersionInfo"""
8351 return _IMP_kernel._ConstRestraint_get_version_info(self)
8352 __swig_destroy__ = _IMP_kernel.delete__ConstRestraint
8355 r"""__str__(_ConstRestraint self) -> std::string"""
8356 return _IMP_kernel._ConstRestraint___str__(self)
8359 r"""__repr__(_ConstRestraint self) -> std::string"""
8360 return _IMP_kernel._ConstRestraint___repr__(self)
8364 return _object_cast_to__ConstRestraint(o)
8367 def _get_as_binary(self):
8368 r"""_get_as_binary(_ConstRestraint self) -> PyObject *"""
8369 return _IMP_kernel._ConstRestraint__get_as_binary(self)
8371 def _set_from_binary(self, p):
8372 r"""_set_from_binary(_ConstRestraint self, PyObject * p)"""
8373 return _IMP_kernel._ConstRestraint__set_from_binary(self, p)
8375 def __getstate__(self):
8376 p = self._get_as_binary()
8377 if len(self.__dict__) > 1:
8378 d = self.__dict__.copy()
8383 def __setstate__(self, p):
8384 if not hasattr(self,
'this'):
8386 if isinstance(p, tuple):
8388 self.__dict__.update(d)
8389 return self._set_from_binary(p)
8393 value = self.get_value()
8395 return self._wrap_jax(
lambda jm: value)
8399 _IMP_kernel._ConstRestraint_swigregister(_ConstRestraint)
8401 r"""Proxy of C++ IMP::internal::_ConstSingletonScore class."""
8403 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8405 def __init__(self, *args):
8407 __init__(_ConstSingletonScore self, double v) -> _ConstSingletonScore
8408 __init__(_ConstSingletonScore self) -> _ConstSingletonScore
8410 _IMP_kernel._ConstSingletonScore_swiginit(self, _IMP_kernel.new__ConstSingletonScore(*args))
8412 def get_value(self):
8413 r"""get_value(_ConstSingletonScore self) -> double"""
8414 return _IMP_kernel._ConstSingletonScore_get_value(self)
8416 def do_get_inputs(self, arg2, arg3):
8417 r"""do_get_inputs(_ConstSingletonScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8418 return _IMP_kernel._ConstSingletonScore_do_get_inputs(self, arg2, arg3)
8420 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8421 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"""
8422 return _IMP_kernel._ConstSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8424 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8425 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"""
8426 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8428 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8429 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"""
8430 return _IMP_kernel._ConstSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8432 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8433 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"""
8434 return _IMP_kernel._ConstSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8437 r"""get_version_info(_ConstSingletonScore self) -> VersionInfo"""
8438 return _IMP_kernel._ConstSingletonScore_get_version_info(self)
8439 __swig_destroy__ = _IMP_kernel.delete__ConstSingletonScore
8442 r"""__str__(_ConstSingletonScore self) -> std::string"""
8443 return _IMP_kernel._ConstSingletonScore___str__(self)
8446 r"""__repr__(_ConstSingletonScore self) -> std::string"""
8447 return _IMP_kernel._ConstSingletonScore___repr__(self)
8451 return _object_cast_to__ConstSingletonScore(o)
8454 def _get_as_binary(self):
8455 r"""_get_as_binary(_ConstSingletonScore self) -> PyObject *"""
8456 return _IMP_kernel._ConstSingletonScore__get_as_binary(self)
8458 def _set_from_binary(self, p):
8459 r"""_set_from_binary(_ConstSingletonScore self, PyObject * p)"""
8460 return _IMP_kernel._ConstSingletonScore__set_from_binary(self, p)
8462 def __getstate__(self):
8463 p = self._get_as_binary()
8464 if len(self.__dict__) > 1:
8465 d = self.__dict__.copy()
8470 def __setstate__(self, p):
8471 if not hasattr(self,
'this'):
8473 if isinstance(p, tuple):
8475 self.__dict__.update(d)
8476 return self._set_from_binary(p)
8479 def _get_jax(self, m, indexes):
8480 value = self.get_value()
8482 return self._wrap_jax(m,
lambda jm: value)
8486 _IMP_kernel._ConstSingletonScore_swigregister(_ConstSingletonScore)
8488 r"""Proxy of C++ IMP::internal::_ConstPairScore class."""
8490 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8492 def __init__(self, *args):
8494 __init__(_ConstPairScore self, double v) -> _ConstPairScore
8495 __init__(_ConstPairScore self) -> _ConstPairScore
8497 _IMP_kernel._ConstPairScore_swiginit(self, _IMP_kernel.new__ConstPairScore(*args))
8499 def get_value(self):
8500 r"""get_value(_ConstPairScore self) -> double"""
8501 return _IMP_kernel._ConstPairScore_get_value(self)
8503 def do_get_inputs(self, arg2, arg3):
8504 r"""do_get_inputs(_ConstPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
8505 return _IMP_kernel._ConstPairScore_do_get_inputs(self, arg2, arg3)
8507 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8508 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"""
8509 return _IMP_kernel._ConstPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8511 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8512 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"""
8513 return _IMP_kernel._ConstPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8515 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8516 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"""
8517 return _IMP_kernel._ConstPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8519 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8520 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"""
8521 return _IMP_kernel._ConstPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8524 r"""get_version_info(_ConstPairScore self) -> VersionInfo"""
8525 return _IMP_kernel._ConstPairScore_get_version_info(self)
8526 __swig_destroy__ = _IMP_kernel.delete__ConstPairScore
8529 r"""__str__(_ConstPairScore self) -> std::string"""
8530 return _IMP_kernel._ConstPairScore___str__(self)
8533 r"""__repr__(_ConstPairScore self) -> std::string"""
8534 return _IMP_kernel._ConstPairScore___repr__(self)
8538 return _object_cast_to__ConstPairScore(o)
8541 def _get_as_binary(self):
8542 r"""_get_as_binary(_ConstPairScore self) -> PyObject *"""
8543 return _IMP_kernel._ConstPairScore__get_as_binary(self)
8545 def _set_from_binary(self, p):
8546 r"""_set_from_binary(_ConstPairScore self, PyObject * p)"""
8547 return _IMP_kernel._ConstPairScore__set_from_binary(self, p)
8549 def __getstate__(self):
8550 p = self._get_as_binary()
8551 if len(self.__dict__) > 1:
8552 d = self.__dict__.copy()
8557 def __setstate__(self, p):
8558 if not hasattr(self,
'this'):
8560 if isinstance(p, tuple):
8562 self.__dict__.update(d)
8563 return self._set_from_binary(p)
8566 def _get_jax(self, m, indexes):
8567 value = self.get_value()
8569 return self._wrap_jax(m,
lambda jm: value)
8573 _IMP_kernel._ConstPairScore_swigregister(_ConstPairScore)
8575 r"""Proxy of C++ IMP::internal::_TrivialDecorator class."""
8577 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8579 def __init__(self, *args):
8581 __init__(_TrivialDecorator self) -> _TrivialDecorator
8582 __init__(_TrivialDecorator self, Model m, ParticleIndex id) -> _TrivialDecorator
8583 __init__(_TrivialDecorator self, _ParticleAdaptor d) -> _TrivialDecorator
8585 _IMP_kernel._TrivialDecorator_swiginit(self, _IMP_kernel.new__TrivialDecorator(*args))
8587 def show(self, *args):
8588 r"""show(_TrivialDecorator self, _ostream out=std::cout)"""
8589 return _IMP_kernel._TrivialDecorator_show(self, *args)
8592 def setup_particle(*args):
8594 setup_particle(Model m, ParticleIndex pi) -> _TrivialDecorator
8595 setup_particle(_ParticleAdaptor pa) -> _TrivialDecorator
8597 return _IMP_kernel._TrivialDecorator_setup_particle(*args)
8600 def get_is_setup(*args):
8602 get_is_setup(_ParticleAdaptor p) -> bool
8603 get_is_setup(Model m, ParticleIndex pi) -> bool
8605 return _IMP_kernel._TrivialDecorator_get_is_setup(*args)
8609 add_attribute(_TrivialDecorator self, FloatKey k, IMP::Float v, bool opt)
8610 add_attribute(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8611 add_attribute(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8612 add_attribute(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8613 add_attribute(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8614 add_attribute(_TrivialDecorator self, StringKey a0, IMP::String a1)
8615 add_attribute(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8616 add_attribute(_TrivialDecorator self, ObjectKey a0, Object a1)
8617 add_attribute(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8618 add_attribute(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8619 add_attribute(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8620 add_attribute(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8622 return _IMP_kernel._TrivialDecorator_add_attribute(self, *args)
8624 def get_value(self, *args):
8626 get_value(_TrivialDecorator self, FloatKey a0) -> IMP::Float
8627 get_value(_TrivialDecorator self, IntKey a0) -> IMP::Int
8628 get_value(_TrivialDecorator self, FloatsKey a0) -> IMP::Floats
8629 get_value(_TrivialDecorator self, IntsKey a0) -> IMP::Ints
8630 get_value(_TrivialDecorator self, StringKey a0) -> IMP::String
8631 get_value(_TrivialDecorator self, ParticleIndexKey a0) -> Particle
8632 get_value(_TrivialDecorator self, ObjectKey a0) -> Object
8633 get_value(_TrivialDecorator self, SparseFloatKey a0) -> IMP::Float
8634 get_value(_TrivialDecorator self, SparseIntKey a0) -> IMP::Int
8635 get_value(_TrivialDecorator self, SparseStringKey a0) -> IMP::String
8636 get_value(_TrivialDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8638 return _IMP_kernel._TrivialDecorator_get_value(self, *args)
8640 def set_value(self, *args):
8642 set_value(_TrivialDecorator self, FloatKey a0, IMP::Float a1)
8643 set_value(_TrivialDecorator self, IntKey a0, IMP::Int a1)
8644 set_value(_TrivialDecorator self, FloatsKey a0, IMP::Floats a1)
8645 set_value(_TrivialDecorator self, IntsKey a0, IMP::Ints a1)
8646 set_value(_TrivialDecorator self, StringKey a0, IMP::String a1)
8647 set_value(_TrivialDecorator self, ParticleIndexKey a0, Particle a1)
8648 set_value(_TrivialDecorator self, ObjectKey a0, Object a1)
8649 set_value(_TrivialDecorator self, SparseFloatKey a0, IMP::Float a1)
8650 set_value(_TrivialDecorator self, SparseIntKey a0, IMP::Int a1)
8651 set_value(_TrivialDecorator self, SparseStringKey a0, IMP::String a1)
8652 set_value(_TrivialDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8654 return _IMP_kernel._TrivialDecorator_set_value(self, *args)
8658 remove_attribute(_TrivialDecorator self, FloatKey a0)
8659 remove_attribute(_TrivialDecorator self, IntKey a0)
8660 remove_attribute(_TrivialDecorator self, FloatsKey a0)
8661 remove_attribute(_TrivialDecorator self, IntsKey a0)
8662 remove_attribute(_TrivialDecorator self, StringKey a0)
8663 remove_attribute(_TrivialDecorator self, ParticleIndexKey a0)
8664 remove_attribute(_TrivialDecorator self, ObjectKey a0)
8665 remove_attribute(_TrivialDecorator self, SparseFloatKey a0)
8666 remove_attribute(_TrivialDecorator self, SparseIntKey a0)
8667 remove_attribute(_TrivialDecorator self, SparseStringKey a0)
8668 remove_attribute(_TrivialDecorator self, SparseParticleIndexKey a0)
8670 return _IMP_kernel._TrivialDecorator_remove_attribute(self, *args)
8672 def has_attribute(self, *args):
8674 has_attribute(_TrivialDecorator self, FloatKey a0) -> bool
8675 has_attribute(_TrivialDecorator self, IntKey a0) -> bool
8676 has_attribute(_TrivialDecorator self, FloatsKey a0) -> bool
8677 has_attribute(_TrivialDecorator self, IntsKey a0) -> bool
8678 has_attribute(_TrivialDecorator self, StringKey a0) -> bool
8679 has_attribute(_TrivialDecorator self, ParticleIndexKey a0) -> bool
8680 has_attribute(_TrivialDecorator self, ObjectKey a0) -> bool
8681 has_attribute(_TrivialDecorator self, SparseFloatKey a0) -> bool
8682 has_attribute(_TrivialDecorator self, SparseIntKey a0) -> bool
8683 has_attribute(_TrivialDecorator self, SparseStringKey a0) -> bool
8684 has_attribute(_TrivialDecorator self, SparseParticleIndexKey a0) -> bool
8686 return _IMP_kernel._TrivialDecorator_has_attribute(self, *args)
8688 def get_derivative(self, a0):
8689 r"""get_derivative(_TrivialDecorator self, FloatKey a0) -> double"""
8690 return _IMP_kernel._TrivialDecorator_get_derivative(self, a0)
8693 r"""get_name(_TrivialDecorator self) -> std::string"""
8694 return _IMP_kernel._TrivialDecorator_get_name(self)
8697 r"""clear_caches(_TrivialDecorator self)"""
8698 return _IMP_kernel._TrivialDecorator_clear_caches(self)
8700 def set_name(self, a0):
8701 r"""set_name(_TrivialDecorator self, std::string a0)"""
8702 return _IMP_kernel._TrivialDecorator_set_name(self, a0)
8705 r"""set_check_level(_TrivialDecorator self, IMP::CheckLevel a0)"""
8706 return _IMP_kernel._TrivialDecorator_set_check_level(self, a0)
8708 def add_to_derivative(self, a0, a1, a2):
8709 r"""add_to_derivative(_TrivialDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8710 return _IMP_kernel._TrivialDecorator_add_to_derivative(self, a0, a1, a2)
8713 r"""set_is_optimized(_TrivialDecorator self, FloatKey a0, bool a1)"""
8714 return _IMP_kernel._TrivialDecorator_set_is_optimized(self, a0, a1)
8716 def get_is_optimized(self, a0):
8717 r"""get_is_optimized(_TrivialDecorator self, FloatKey a0) -> bool"""
8718 return _IMP_kernel._TrivialDecorator_get_is_optimized(self, a0)
8720 def get_check_level(self):
8721 r"""get_check_level(_TrivialDecorator self) -> IMP::CheckLevel"""
8722 return _IMP_kernel._TrivialDecorator_get_check_level(self)
8724 def __eq__(self, *args):
8726 __eq__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8727 __eq__(_TrivialDecorator self, Particle d) -> bool
8729 return _IMP_kernel._TrivialDecorator___eq__(self, *args)
8731 def __ne__(self, *args):
8733 __ne__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8734 __ne__(_TrivialDecorator self, Particle d) -> bool
8736 return _IMP_kernel._TrivialDecorator___ne__(self, *args)
8738 def __le__(self, *args):
8740 __le__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8741 __le__(_TrivialDecorator self, Particle d) -> bool
8743 return _IMP_kernel._TrivialDecorator___le__(self, *args)
8745 def __lt__(self, *args):
8747 __lt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8748 __lt__(_TrivialDecorator self, Particle d) -> bool
8750 return _IMP_kernel._TrivialDecorator___lt__(self, *args)
8752 def __ge__(self, *args):
8754 __ge__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8755 __ge__(_TrivialDecorator self, Particle d) -> bool
8757 return _IMP_kernel._TrivialDecorator___ge__(self, *args)
8759 def __gt__(self, *args):
8761 __gt__(_TrivialDecorator self, _TrivialDecorator o) -> bool
8762 __gt__(_TrivialDecorator self, Particle d) -> bool
8764 return _IMP_kernel._TrivialDecorator___gt__(self, *args)
8767 r"""__hash__(_TrivialDecorator self) -> std::size_t"""
8768 return _IMP_kernel._TrivialDecorator___hash__(self)
8771 r"""__str__(_TrivialDecorator self) -> std::string"""
8772 return _IMP_kernel._TrivialDecorator___str__(self)
8775 r"""__repr__(_TrivialDecorator self) -> std::string"""
8776 return _IMP_kernel._TrivialDecorator___repr__(self)
8778 def _get_as_binary(self):
8779 r"""_get_as_binary(_TrivialDecorator self) -> PyObject *"""
8780 return _IMP_kernel._TrivialDecorator__get_as_binary(self)
8782 def _set_from_binary(self, p):
8783 r"""_set_from_binary(_TrivialDecorator self, PyObject * p)"""
8784 return _IMP_kernel._TrivialDecorator__set_from_binary(self, p)
8786 def __getstate__(self):
8787 p = self._get_as_binary()
8788 if len(self.__dict__) > 1:
8789 d = self.__dict__.copy()
8794 def __setstate__(self, p):
8795 if not hasattr(self,
'this'):
8797 if isinstance(p, tuple):
8799 self.__dict__.update(d)
8800 return self._set_from_binary(p)
8802 __swig_destroy__ = _IMP_kernel.delete__TrivialDecorator
8805 _IMP_kernel._TrivialDecorator_swigregister(_TrivialDecorator)
8806 class _TrivialDerivedDecorator(_TrivialDecorator):
8807 r"""Proxy of C++ IMP::internal::_TrivialDerivedDecorator class."""
8809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8811 def __init__(self, *args):
8813 __init__(_TrivialDerivedDecorator self) -> _TrivialDerivedDecorator
8814 __init__(_TrivialDerivedDecorator self, Model m, ParticleIndex id) -> _TrivialDerivedDecorator
8815 __init__(_TrivialDerivedDecorator self, _ParticleAdaptor d) -> _TrivialDerivedDecorator
8817 _IMP_kernel._TrivialDerivedDecorator_swiginit(self, _IMP_kernel.new__TrivialDerivedDecorator(*args))
8819 def show(self, *args):
8820 r"""show(_TrivialDerivedDecorator self, _ostream out=std::cout)"""
8821 return _IMP_kernel._TrivialDerivedDecorator_show(self, *args)
8824 def setup_particle(*args):
8826 setup_particle(Model m, ParticleIndex pi) -> _TrivialDerivedDecorator
8827 setup_particle(_ParticleAdaptor pa) -> _TrivialDerivedDecorator
8829 return _IMP_kernel._TrivialDerivedDecorator_setup_particle(*args)
8832 def get_is_setup(*args):
8834 get_is_setup(_ParticleAdaptor p) -> bool
8835 get_is_setup(Model m, ParticleIndex pi) -> bool
8837 return _IMP_kernel._TrivialDerivedDecorator_get_is_setup(*args)
8841 add_attribute(_TrivialDerivedDecorator self, FloatKey k, IMP::Float v, bool opt)
8842 add_attribute(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8843 add_attribute(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8844 add_attribute(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8845 add_attribute(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8846 add_attribute(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8847 add_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8848 add_attribute(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8849 add_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8850 add_attribute(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8851 add_attribute(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8852 add_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8854 return _IMP_kernel._TrivialDerivedDecorator_add_attribute(self, *args)
8856 def get_value(self, *args):
8858 get_value(_TrivialDerivedDecorator self, FloatKey a0) -> IMP::Float
8859 get_value(_TrivialDerivedDecorator self, IntKey a0) -> IMP::Int
8860 get_value(_TrivialDerivedDecorator self, FloatsKey a0) -> IMP::Floats
8861 get_value(_TrivialDerivedDecorator self, IntsKey a0) -> IMP::Ints
8862 get_value(_TrivialDerivedDecorator self, StringKey a0) -> IMP::String
8863 get_value(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> Particle
8864 get_value(_TrivialDerivedDecorator self, ObjectKey a0) -> Object
8865 get_value(_TrivialDerivedDecorator self, SparseFloatKey a0) -> IMP::Float
8866 get_value(_TrivialDerivedDecorator self, SparseIntKey a0) -> IMP::Int
8867 get_value(_TrivialDerivedDecorator self, SparseStringKey a0) -> IMP::String
8868 get_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
8870 return _IMP_kernel._TrivialDerivedDecorator_get_value(self, *args)
8872 def set_value(self, *args):
8874 set_value(_TrivialDerivedDecorator self, FloatKey a0, IMP::Float a1)
8875 set_value(_TrivialDerivedDecorator self, IntKey a0, IMP::Int a1)
8876 set_value(_TrivialDerivedDecorator self, FloatsKey a0, IMP::Floats a1)
8877 set_value(_TrivialDerivedDecorator self, IntsKey a0, IMP::Ints a1)
8878 set_value(_TrivialDerivedDecorator self, StringKey a0, IMP::String a1)
8879 set_value(_TrivialDerivedDecorator self, ParticleIndexKey a0, Particle a1)
8880 set_value(_TrivialDerivedDecorator self, ObjectKey a0, Object a1)
8881 set_value(_TrivialDerivedDecorator self, SparseFloatKey a0, IMP::Float a1)
8882 set_value(_TrivialDerivedDecorator self, SparseIntKey a0, IMP::Int a1)
8883 set_value(_TrivialDerivedDecorator self, SparseStringKey a0, IMP::String a1)
8884 set_value(_TrivialDerivedDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
8886 return _IMP_kernel._TrivialDerivedDecorator_set_value(self, *args)
8890 remove_attribute(_TrivialDerivedDecorator self, FloatKey a0)
8891 remove_attribute(_TrivialDerivedDecorator self, IntKey a0)
8892 remove_attribute(_TrivialDerivedDecorator self, FloatsKey a0)
8893 remove_attribute(_TrivialDerivedDecorator self, IntsKey a0)
8894 remove_attribute(_TrivialDerivedDecorator self, StringKey a0)
8895 remove_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0)
8896 remove_attribute(_TrivialDerivedDecorator self, ObjectKey a0)
8897 remove_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0)
8898 remove_attribute(_TrivialDerivedDecorator self, SparseIntKey a0)
8899 remove_attribute(_TrivialDerivedDecorator self, SparseStringKey a0)
8900 remove_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0)
8902 return _IMP_kernel._TrivialDerivedDecorator_remove_attribute(self, *args)
8904 def has_attribute(self, *args):
8906 has_attribute(_TrivialDerivedDecorator self, FloatKey a0) -> bool
8907 has_attribute(_TrivialDerivedDecorator self, IntKey a0) -> bool
8908 has_attribute(_TrivialDerivedDecorator self, FloatsKey a0) -> bool
8909 has_attribute(_TrivialDerivedDecorator self, IntsKey a0) -> bool
8910 has_attribute(_TrivialDerivedDecorator self, StringKey a0) -> bool
8911 has_attribute(_TrivialDerivedDecorator self, ParticleIndexKey a0) -> bool
8912 has_attribute(_TrivialDerivedDecorator self, ObjectKey a0) -> bool
8913 has_attribute(_TrivialDerivedDecorator self, SparseFloatKey a0) -> bool
8914 has_attribute(_TrivialDerivedDecorator self, SparseIntKey a0) -> bool
8915 has_attribute(_TrivialDerivedDecorator self, SparseStringKey a0) -> bool
8916 has_attribute(_TrivialDerivedDecorator self, SparseParticleIndexKey a0) -> bool
8918 return _IMP_kernel._TrivialDerivedDecorator_has_attribute(self, *args)
8920 def get_derivative(self, a0):
8921 r"""get_derivative(_TrivialDerivedDecorator self, FloatKey a0) -> double"""
8922 return _IMP_kernel._TrivialDerivedDecorator_get_derivative(self, a0)
8925 r"""get_name(_TrivialDerivedDecorator self) -> std::string"""
8926 return _IMP_kernel._TrivialDerivedDecorator_get_name(self)
8929 r"""clear_caches(_TrivialDerivedDecorator self)"""
8930 return _IMP_kernel._TrivialDerivedDecorator_clear_caches(self)
8932 def set_name(self, a0):
8933 r"""set_name(_TrivialDerivedDecorator self, std::string a0)"""
8934 return _IMP_kernel._TrivialDerivedDecorator_set_name(self, a0)
8937 r"""set_check_level(_TrivialDerivedDecorator self, IMP::CheckLevel a0)"""
8938 return _IMP_kernel._TrivialDerivedDecorator_set_check_level(self, a0)
8940 def add_to_derivative(self, a0, a1, a2):
8941 r"""add_to_derivative(_TrivialDerivedDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8942 return _IMP_kernel._TrivialDerivedDecorator_add_to_derivative(self, a0, a1, a2)
8945 r"""set_is_optimized(_TrivialDerivedDecorator self, FloatKey a0, bool a1)"""
8946 return _IMP_kernel._TrivialDerivedDecorator_set_is_optimized(self, a0, a1)
8948 def get_is_optimized(self, a0):
8949 r"""get_is_optimized(_TrivialDerivedDecorator self, FloatKey a0) -> bool"""
8950 return _IMP_kernel._TrivialDerivedDecorator_get_is_optimized(self, a0)
8952 def get_check_level(self):
8953 r"""get_check_level(_TrivialDerivedDecorator self) -> IMP::CheckLevel"""
8954 return _IMP_kernel._TrivialDerivedDecorator_get_check_level(self)
8956 def __eq__(self, *args):
8958 __eq__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8959 __eq__(_TrivialDerivedDecorator self, Particle d) -> bool
8961 return _IMP_kernel._TrivialDerivedDecorator___eq__(self, *args)
8963 def __ne__(self, *args):
8965 __ne__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8966 __ne__(_TrivialDerivedDecorator self, Particle d) -> bool
8968 return _IMP_kernel._TrivialDerivedDecorator___ne__(self, *args)
8970 def __le__(self, *args):
8972 __le__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8973 __le__(_TrivialDerivedDecorator self, Particle d) -> bool
8975 return _IMP_kernel._TrivialDerivedDecorator___le__(self, *args)
8977 def __lt__(self, *args):
8979 __lt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8980 __lt__(_TrivialDerivedDecorator self, Particle d) -> bool
8982 return _IMP_kernel._TrivialDerivedDecorator___lt__(self, *args)
8984 def __ge__(self, *args):
8986 __ge__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8987 __ge__(_TrivialDerivedDecorator self, Particle d) -> bool
8989 return _IMP_kernel._TrivialDerivedDecorator___ge__(self, *args)
8991 def __gt__(self, *args):
8993 __gt__(_TrivialDerivedDecorator self, _TrivialDerivedDecorator o) -> bool
8994 __gt__(_TrivialDerivedDecorator self, Particle d) -> bool
8996 return _IMP_kernel._TrivialDerivedDecorator___gt__(self, *args)
8999 r"""__hash__(_TrivialDerivedDecorator self) -> std::size_t"""
9000 return _IMP_kernel._TrivialDerivedDecorator___hash__(self)
9003 r"""__str__(_TrivialDerivedDecorator self) -> std::string"""
9004 return _IMP_kernel._TrivialDerivedDecorator___str__(self)
9007 r"""__repr__(_TrivialDerivedDecorator self) -> std::string"""
9008 return _IMP_kernel._TrivialDerivedDecorator___repr__(self)
9010 def _get_as_binary(self):
9011 r"""_get_as_binary(_TrivialDerivedDecorator self) -> PyObject *"""
9012 return _IMP_kernel._TrivialDerivedDecorator__get_as_binary(self)
9014 def _set_from_binary(self, p):
9015 r"""_set_from_binary(_TrivialDerivedDecorator self, PyObject * p)"""
9016 return _IMP_kernel._TrivialDerivedDecorator__set_from_binary(self, p)
9018 def __getstate__(self):
9019 p = self._get_as_binary()
9020 if len(self.__dict__) > 1:
9021 d = self.__dict__.copy()
9026 def __setstate__(self, p):
9027 if not hasattr(self,
'this'):
9029 if isinstance(p, tuple):
9031 self.__dict__.update(d)
9032 return self._set_from_binary(p)
9034 __swig_destroy__ = _IMP_kernel.delete__TrivialDerivedDecorator
9037 _IMP_kernel._TrivialDerivedDecorator_swigregister(_TrivialDerivedDecorator)
9038 class _TrivialTraitsDecorator(
Decorator):
9039 r"""Proxy of C++ IMP::internal::_TrivialTraitsDecorator class."""
9041 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9043 def get_decorator_traits(self):
9044 r"""get_decorator_traits(_TrivialTraitsDecorator self) -> StringKey"""
9045 return _IMP_kernel._TrivialTraitsDecorator_get_decorator_traits(self)
9048 def get_default_decorator_traits():
9049 r"""get_default_decorator_traits() -> StringKey"""
9050 return _IMP_kernel._TrivialTraitsDecorator_get_default_decorator_traits()
9052 def __init__(self, *args):
9054 __init__(_TrivialTraitsDecorator self) -> _TrivialTraitsDecorator
9055 __init__(_TrivialTraitsDecorator self, Model m, ParticleIndex id, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
9056 __init__(_TrivialTraitsDecorator self, _ParticleAdaptor d, StringKey tr=get_default_key()) -> _TrivialTraitsDecorator
9058 _IMP_kernel._TrivialTraitsDecorator_swiginit(self, _IMP_kernel.new__TrivialTraitsDecorator(*args))
9060 def show(self, *args):
9061 r"""show(_TrivialTraitsDecorator self, _ostream out=std::cout)"""
9062 return _IMP_kernel._TrivialTraitsDecorator_show(self, *args)
9065 def setup_particle(*args):
9067 setup_particle(Model m, ParticleIndex pi, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9068 setup_particle(_ParticleAdaptor d, StringKey tr=IMP::internal::_TrivialTraitsDecorator::get_default_decorator_traits()) -> _TrivialTraitsDecorator
9070 return _IMP_kernel._TrivialTraitsDecorator_setup_particle(*args)
9073 def get_is_setup(*args):
9075 get_is_setup(_ParticleAdaptor p, StringKey tr=get_default_key()) -> bool
9076 get_is_setup(Model m, ParticleIndex pi, StringKey k=get_default_key()) -> bool
9078 return _IMP_kernel._TrivialTraitsDecorator_get_is_setup(*args)
9081 def get_default_key():
9082 r"""get_default_key() -> StringKey"""
9083 return _IMP_kernel._TrivialTraitsDecorator_get_default_key()
9087 add_attribute(_TrivialTraitsDecorator self, FloatKey k, IMP::Float v, bool opt)
9088 add_attribute(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9089 add_attribute(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9090 add_attribute(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9091 add_attribute(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9092 add_attribute(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9093 add_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9094 add_attribute(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9095 add_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9096 add_attribute(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9097 add_attribute(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9098 add_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9100 return _IMP_kernel._TrivialTraitsDecorator_add_attribute(self, *args)
9102 def get_value(self, *args):
9104 get_value(_TrivialTraitsDecorator self, FloatKey a0) -> IMP::Float
9105 get_value(_TrivialTraitsDecorator self, IntKey a0) -> IMP::Int
9106 get_value(_TrivialTraitsDecorator self, FloatsKey a0) -> IMP::Floats
9107 get_value(_TrivialTraitsDecorator self, IntsKey a0) -> IMP::Ints
9108 get_value(_TrivialTraitsDecorator self, StringKey a0) -> IMP::String
9109 get_value(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> Particle
9110 get_value(_TrivialTraitsDecorator self, ObjectKey a0) -> Object
9111 get_value(_TrivialTraitsDecorator self, SparseFloatKey a0) -> IMP::Float
9112 get_value(_TrivialTraitsDecorator self, SparseIntKey a0) -> IMP::Int
9113 get_value(_TrivialTraitsDecorator self, SparseStringKey a0) -> IMP::String
9114 get_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> ParticleIndex
9116 return _IMP_kernel._TrivialTraitsDecorator_get_value(self, *args)
9118 def set_value(self, *args):
9120 set_value(_TrivialTraitsDecorator self, FloatKey a0, IMP::Float a1)
9121 set_value(_TrivialTraitsDecorator self, IntKey a0, IMP::Int a1)
9122 set_value(_TrivialTraitsDecorator self, FloatsKey a0, IMP::Floats a1)
9123 set_value(_TrivialTraitsDecorator self, IntsKey a0, IMP::Ints a1)
9124 set_value(_TrivialTraitsDecorator self, StringKey a0, IMP::String a1)
9125 set_value(_TrivialTraitsDecorator self, ParticleIndexKey a0, Particle a1)
9126 set_value(_TrivialTraitsDecorator self, ObjectKey a0, Object a1)
9127 set_value(_TrivialTraitsDecorator self, SparseFloatKey a0, IMP::Float a1)
9128 set_value(_TrivialTraitsDecorator self, SparseIntKey a0, IMP::Int a1)
9129 set_value(_TrivialTraitsDecorator self, SparseStringKey a0, IMP::String a1)
9130 set_value(_TrivialTraitsDecorator self, SparseParticleIndexKey a0, ParticleIndex a1)
9132 return _IMP_kernel._TrivialTraitsDecorator_set_value(self, *args)
9136 remove_attribute(_TrivialTraitsDecorator self, FloatKey a0)
9137 remove_attribute(_TrivialTraitsDecorator self, IntKey a0)
9138 remove_attribute(_TrivialTraitsDecorator self, FloatsKey a0)
9139 remove_attribute(_TrivialTraitsDecorator self, IntsKey a0)
9140 remove_attribute(_TrivialTraitsDecorator self, StringKey a0)
9141 remove_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0)
9142 remove_attribute(_TrivialTraitsDecorator self, ObjectKey a0)
9143 remove_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0)
9144 remove_attribute(_TrivialTraitsDecorator self, SparseIntKey a0)
9145 remove_attribute(_TrivialTraitsDecorator self, SparseStringKey a0)
9146 remove_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0)
9148 return _IMP_kernel._TrivialTraitsDecorator_remove_attribute(self, *args)
9150 def has_attribute(self, *args):
9152 has_attribute(_TrivialTraitsDecorator self, FloatKey a0) -> bool
9153 has_attribute(_TrivialTraitsDecorator self, IntKey a0) -> bool
9154 has_attribute(_TrivialTraitsDecorator self, FloatsKey a0) -> bool
9155 has_attribute(_TrivialTraitsDecorator self, IntsKey a0) -> bool
9156 has_attribute(_TrivialTraitsDecorator self, StringKey a0) -> bool
9157 has_attribute(_TrivialTraitsDecorator self, ParticleIndexKey a0) -> bool
9158 has_attribute(_TrivialTraitsDecorator self, ObjectKey a0) -> bool
9159 has_attribute(_TrivialTraitsDecorator self, SparseFloatKey a0) -> bool
9160 has_attribute(_TrivialTraitsDecorator self, SparseIntKey a0) -> bool
9161 has_attribute(_TrivialTraitsDecorator self, SparseStringKey a0) -> bool
9162 has_attribute(_TrivialTraitsDecorator self, SparseParticleIndexKey a0) -> bool
9164 return _IMP_kernel._TrivialTraitsDecorator_has_attribute(self, *args)
9166 def get_derivative(self, a0):
9167 r"""get_derivative(_TrivialTraitsDecorator self, FloatKey a0) -> double"""
9168 return _IMP_kernel._TrivialTraitsDecorator_get_derivative(self, a0)
9171 r"""get_name(_TrivialTraitsDecorator self) -> std::string"""
9172 return _IMP_kernel._TrivialTraitsDecorator_get_name(self)
9175 r"""clear_caches(_TrivialTraitsDecorator self)"""
9176 return _IMP_kernel._TrivialTraitsDecorator_clear_caches(self)
9178 def set_name(self, a0):
9179 r"""set_name(_TrivialTraitsDecorator self, std::string a0)"""
9180 return _IMP_kernel._TrivialTraitsDecorator_set_name(self, a0)
9183 r"""set_check_level(_TrivialTraitsDecorator self, IMP::CheckLevel a0)"""
9184 return _IMP_kernel._TrivialTraitsDecorator_set_check_level(self, a0)
9186 def add_to_derivative(self, a0, a1, a2):
9187 r"""add_to_derivative(_TrivialTraitsDecorator self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9188 return _IMP_kernel._TrivialTraitsDecorator_add_to_derivative(self, a0, a1, a2)
9191 r"""set_is_optimized(_TrivialTraitsDecorator self, FloatKey a0, bool a1)"""
9192 return _IMP_kernel._TrivialTraitsDecorator_set_is_optimized(self, a0, a1)
9194 def get_is_optimized(self, a0):
9195 r"""get_is_optimized(_TrivialTraitsDecorator self, FloatKey a0) -> bool"""
9196 return _IMP_kernel._TrivialTraitsDecorator_get_is_optimized(self, a0)
9198 def get_check_level(self):
9199 r"""get_check_level(_TrivialTraitsDecorator self) -> IMP::CheckLevel"""
9200 return _IMP_kernel._TrivialTraitsDecorator_get_check_level(self)
9202 def __eq__(self, *args):
9204 __eq__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9205 __eq__(_TrivialTraitsDecorator self, Particle d) -> bool
9207 return _IMP_kernel._TrivialTraitsDecorator___eq__(self, *args)
9209 def __ne__(self, *args):
9211 __ne__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9212 __ne__(_TrivialTraitsDecorator self, Particle d) -> bool
9214 return _IMP_kernel._TrivialTraitsDecorator___ne__(self, *args)
9216 def __le__(self, *args):
9218 __le__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9219 __le__(_TrivialTraitsDecorator self, Particle d) -> bool
9221 return _IMP_kernel._TrivialTraitsDecorator___le__(self, *args)
9223 def __lt__(self, *args):
9225 __lt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9226 __lt__(_TrivialTraitsDecorator self, Particle d) -> bool
9228 return _IMP_kernel._TrivialTraitsDecorator___lt__(self, *args)
9230 def __ge__(self, *args):
9232 __ge__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9233 __ge__(_TrivialTraitsDecorator self, Particle d) -> bool
9235 return _IMP_kernel._TrivialTraitsDecorator___ge__(self, *args)
9237 def __gt__(self, *args):
9239 __gt__(_TrivialTraitsDecorator self, _TrivialTraitsDecorator o) -> bool
9240 __gt__(_TrivialTraitsDecorator self, Particle d) -> bool
9242 return _IMP_kernel._TrivialTraitsDecorator___gt__(self, *args)
9245 r"""__hash__(_TrivialTraitsDecorator self) -> std::size_t"""
9246 return _IMP_kernel._TrivialTraitsDecorator___hash__(self)
9249 r"""__str__(_TrivialTraitsDecorator self) -> std::string"""
9250 return _IMP_kernel._TrivialTraitsDecorator___str__(self)
9253 r"""__repr__(_TrivialTraitsDecorator self) -> std::string"""
9254 return _IMP_kernel._TrivialTraitsDecorator___repr__(self)
9255 __swig_destroy__ = _IMP_kernel.delete__TrivialTraitsDecorator
9258 _IMP_kernel._TrivialTraitsDecorator_swigregister(_TrivialTraitsDecorator)
9260 def __lshift__(*args):
9262 __lshift__(_ostream out, _TrivialDecorator n) -> _ostream
9263 __lshift__(_ostream out, _TrivialDerivedDecorator n) -> _ostream
9264 __lshift__(_ostream out, _TrivialTraitsDecorator n) -> _ostream
9266 return _IMP_kernel.__lshift__(*args)
9268 r"""Proxy of C++ IMP::internal::_ConstOptimizer class."""
9270 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9272 def __init__(self, *args):
9274 __init__(_ConstOptimizer self, Model m) -> _ConstOptimizer
9275 __init__(_ConstOptimizer self) -> _ConstOptimizer
9277 _IMP_kernel._ConstOptimizer_swiginit(self, _IMP_kernel.new__ConstOptimizer(*args))
9279 def do_optimize(self, max_steps):
9280 r"""do_optimize(_ConstOptimizer self, unsigned int max_steps) -> IMP::Float"""
9281 return _IMP_kernel._ConstOptimizer_do_optimize(self, max_steps)
9284 r"""get_version_info(_ConstOptimizer self) -> VersionInfo"""
9285 return _IMP_kernel._ConstOptimizer_get_version_info(self)
9286 __swig_destroy__ = _IMP_kernel.delete__ConstOptimizer
9289 r"""__str__(_ConstOptimizer self) -> std::string"""
9290 return _IMP_kernel._ConstOptimizer___str__(self)
9293 r"""__repr__(_ConstOptimizer self) -> std::string"""
9294 return _IMP_kernel._ConstOptimizer___repr__(self)
9298 return _object_cast_to__ConstOptimizer(o)
9301 def _get_as_binary(self):
9302 r"""_get_as_binary(_ConstOptimizer self) -> PyObject *"""
9303 return _IMP_kernel._ConstOptimizer__get_as_binary(self)
9305 def _set_from_binary(self, p):
9306 r"""_set_from_binary(_ConstOptimizer self, PyObject * p)"""
9307 return _IMP_kernel._ConstOptimizer__set_from_binary(self, p)
9309 def __getstate__(self):
9310 p = self._get_as_binary()
9311 if len(self.__dict__) > 1:
9312 d = self.__dict__.copy()
9317 def __setstate__(self, p):
9318 if not hasattr(self,
'this'):
9320 if isinstance(p, tuple):
9322 self.__dict__.update(d)
9323 return self._set_from_binary(p)
9327 _IMP_kernel._ConstOptimizer_swigregister(_ConstOptimizer)
9330 r"""get_particle(Particle p) -> Particle"""
9331 return _IMP_kernel.get_particle(p)
9333 def _decorator_test(p):
9334 r"""_decorator_test(Particle p)"""
9335 return _IMP_kernel._decorator_test(p)
9337 def _overloaded_decorator(*args):
9339 _overloaded_decorator(_TrivialDecorator a) -> int
9340 _overloaded_decorator(_TrivialDerivedDecorator a) -> int
9342 return _IMP_kernel._overloaded_decorator(*args)
9344 def _take_particles(*args):
9346 _take_particles(IMP::Particles const & ps) -> unsigned int
9347 _take_particles(Model m, IMP::Particles const & ps) -> unsigned int
9348 _take_particles(Model m, IMP::Particles const & ps, TextOutput out) -> unsigned int
9350 return _IMP_kernel._take_particles(*args)
9352 def _give_particles(m):
9353 r"""_give_particles(Model m) -> IMP::Particles const &"""
9354 return _IMP_kernel._give_particles(m)
9356 def _pass_particles(ps):
9357 r"""_pass_particles(IMP::Particles const & ps) -> IMP::Particles const &"""
9358 return _IMP_kernel._pass_particles(ps)
9360 def _pass_particle(ps):
9361 r"""_pass_particle(Particle ps) -> Particle"""
9362 return _IMP_kernel._pass_particle(ps)
9364 def _pass_particle_pair(pp):
9365 r"""_pass_particle_pair(IMP::ParticlePair const & pp) -> IMP::ParticlePair const &"""
9366 return _IMP_kernel._pass_particle_pair(pp)
9368 def _give_particles_copy(m):
9369 r"""_give_particles_copy(Model m) -> IMP::Particles"""
9370 return _IMP_kernel._give_particles_copy(m)
9372 def _pass_float_keys(input):
9373 r"""_pass_float_keys(IMP::FloatKeys const & input) -> IMP::FloatKeys"""
9374 return _IMP_kernel._pass_float_keys(input)
9378 _pass(IMP::Particles const & p) -> IMP::Particles const
9379 _pass(IMP::Restraints const & p) -> IMP::Restraints const &
9381 return _IMP_kernel._pass(*args)
9383 def _pass_decorators(p):
9384 r"""_pass_decorators(IMP::internal::_TrivialDecorators const & p) -> IMP::internal::_TrivialDecorators const &"""
9385 return _IMP_kernel._pass_decorators(p)
9387 def _pass_decorator_traits(p):
9388 r"""_pass_decorator_traits(IMP::internal::_TrivialTraitsDecorators const & p) -> IMP::internal::_TrivialTraitsDecorators const &"""
9389 return _IMP_kernel._pass_decorator_traits(p)
9391 def _pass_particle_pairs(p):
9392 r"""_pass_particle_pairs(IMP::ParticlePairsTemp const & p) -> IMP::ParticlePairsTemp"""
9393 return _IMP_kernel._pass_particle_pairs(p)
9395 def _pass_particle_index_pairs(p):
9396 r"""_pass_particle_index_pairs(IMP::ParticleIndexPairs const & p) -> IMP::ParticleIndexPairs"""
9397 return _IMP_kernel._pass_particle_index_pairs(p)
9399 def _pass_model_objects(p):
9400 r"""_pass_model_objects(IMP::ModelObjectsTemp const & p) -> IMP::ModelObjectsTemp"""
9401 return _IMP_kernel._pass_model_objects(p)
9403 def _pass_particles_temps(ps):
9404 r"""_pass_particles_temps(IMP::ParticlesTemps const & ps) -> IMP::ParticlesTemps"""
9405 return _IMP_kernel._pass_particles_temps(ps)
9407 def _test_overload(*args):
9409 _test_overload(IMP::Particles const & ps) -> int
9410 _test_overload(IMP::Restraints const & ps) -> int
9412 return _IMP_kernel._test_overload(*args)
9414 def _get_range(m, k):
9415 r"""_get_range(Model m, FloatKey k) -> IMP::FloatRange"""
9416 return _IMP_kernel._get_range(m, k)
9418 def _create_particles_from_pdb(name, m):
9419 r"""_create_particles_from_pdb(std::string name, Model m) -> IMP::ParticleIndexes"""
9420 return _IMP_kernel._create_particles_from_pdb(name, m)
9422 r"""Proxy of C++ IMP::internal::_LogPairScore class."""
9424 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9425 __repr__ = _swig_repr
9428 r"""__init__(_LogPairScore self) -> _LogPairScore"""
9429 _IMP_kernel._LogPairScore_swiginit(self, _IMP_kernel.new__LogPairScore())
9431 def do_get_inputs(self, arg2, arg3):
9432 r"""do_get_inputs(_LogPairScore self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
9433 return _IMP_kernel._LogPairScore_do_get_inputs(self, arg2, arg3)
9435 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9436 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"""
9437 return _IMP_kernel._LogPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9439 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9440 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"""
9441 return _IMP_kernel._LogPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9443 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9444 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"""
9445 return _IMP_kernel._LogPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9447 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9448 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"""
9449 return _IMP_kernel._LogPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9452 r"""get_version_info(_LogPairScore self) -> VersionInfo"""
9453 return _IMP_kernel._LogPairScore_get_version_info(self)
9454 __swig_destroy__ = _IMP_kernel.delete__LogPairScore
9456 def get_particle_pairs(self):
9457 r"""get_particle_pairs(_LogPairScore self) -> IMP::ParticlePairsTemp"""
9458 return _IMP_kernel._LogPairScore_get_particle_pairs(self)
9461 r"""clear(_LogPairScore self)"""
9462 return _IMP_kernel._LogPairScore_clear(self)
9464 def get_contains(self, pp):
9465 r"""get_contains(_LogPairScore self, IMP::ParticlePair const & pp) -> bool"""
9466 return _IMP_kernel._LogPairScore_get_contains(self, pp)
9469 _IMP_kernel._LogPairScore_swigregister(_LogPairScore)
9471 def _overloaded_particles(*args):
9473 _overloaded_particles(Particle arg1)
9474 _overloaded_particles(IMP::Particles const & arg1)
9475 _overloaded_particles(IMP::ParticlesTemp const & arg1)
9476 _overloaded_particles(Model arg1, IMP::ParticleIndexes const & arg2)
9477 _overloaded_particles(IMP::internal::_TrivialDecorators const & arg1)
9478 _overloaded_particles(_TrivialDecorator arg1)
9480 return _IMP_kernel._overloaded_particles(*args)
9481 class _ImplicitParticles(object):
9482 r"""Proxy of C++ IMP::internal::_ImplicitParticles class."""
9484 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9485 __repr__ = _swig_repr
9487 def __init__(self, *args):
9489 __init__(_ImplicitParticles self, Particle arg2) -> _ImplicitParticles
9490 __init__(_ImplicitParticles self, IMP::Particles const & arg2) -> _ImplicitParticles
9491 __init__(_ImplicitParticles self, IMP::ParticlesTemp const & arg2) -> _ImplicitParticles
9492 __init__(_ImplicitParticles self, Model arg2, IMP::ParticleIndexes const & arg3) -> _ImplicitParticles
9493 __init__(_ImplicitParticles self, IMP::internal::_TrivialDecorators const & arg2) -> _ImplicitParticles
9494 __init__(_ImplicitParticles self, _TrivialDecorator arg2) -> _ImplicitParticles
9496 _IMP_kernel._ImplicitParticles_swiginit(self, _IMP_kernel.new__ImplicitParticles(*args))
9497 __swig_destroy__ = _IMP_kernel.delete__ImplicitParticles
9500 _IMP_kernel._ImplicitParticles_swigregister(_ImplicitParticles)
9502 def _implicit_particles(arg1):
9503 r"""_implicit_particles(_ImplicitParticles arg1)"""
9504 return _IMP_kernel._implicit_particles(arg1)
9506 def _take_particle_adaptor(pa):
9507 r"""_take_particle_adaptor(_ParticleAdaptor pa) -> ParticleIndex"""
9508 return _IMP_kernel._take_particle_adaptor(pa)
9510 def _take_particle_indexes_adaptor(pa):
9511 r"""_take_particle_indexes_adaptor(_ParticleIndexesAdaptor pa) -> IMP::ParticleIndexes"""
9512 return _IMP_kernel._take_particle_indexes_adaptor(pa)
9514 r"""Proxy of C++ IMP::internal::GenericRestraintsScoringFunction< ::IMP::Restraints > class."""
9516 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9517 __repr__ = _swig_repr
9519 def __init__(self, *args):
9521 __init__(_RestraintsScoringFunction self, IMP::RestraintsTemp const & rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> _RestraintsScoringFunction
9522 __init__(_RestraintsScoringFunction self) -> _RestraintsScoringFunction
9524 _IMP_kernel._RestraintsScoringFunction_swiginit(self, _IMP_kernel.new__RestraintsScoringFunction(*args))
9526 def do_add_score_and_derivatives(self, sa, ss):
9527 r"""do_add_score_and_derivatives(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9528 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9530 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9531 r"""do_add_score_and_derivatives_moved(_RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
9532 return _IMP_kernel._RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9534 def do_get_inputs(self):
9535 r"""do_get_inputs(_RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9536 return _IMP_kernel._RestraintsScoringFunction_do_get_inputs(self)
9538 def get_restraints(self):
9539 r"""get_restraints(_RestraintsScoringFunction self) -> IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const &"""
9540 return _IMP_kernel._RestraintsScoringFunction_get_restraints(self)
9542 def set_restraints(self, s):
9543 r"""set_restraints(_RestraintsScoringFunction self, IMP::RestraintsTemp const & s)"""
9544 return _IMP_kernel._RestraintsScoringFunction_set_restraints(self, s)
9546 def get_number_of_restraints(self):
9547 r"""get_number_of_restraints(_RestraintsScoringFunction self) -> unsigned int"""
9548 return _IMP_kernel._RestraintsScoringFunction_get_number_of_restraints(self)
9550 def clear_restraints(self):
9551 r"""clear_restraints(_RestraintsScoringFunction self)"""
9552 return _IMP_kernel._RestraintsScoringFunction_clear_restraints(self)
9554 def get_restraint(self, i):
9555 r"""get_restraint(_RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9556 return _IMP_kernel._RestraintsScoringFunction_get_restraint(self, i)
9558 def erase_restraint(self, i):
9559 r"""erase_restraint(_RestraintsScoringFunction self, unsigned int i)"""
9560 return _IMP_kernel._RestraintsScoringFunction_erase_restraint(self, i)
9563 r"""add_restraint(_RestraintsScoringFunction self, Restraint r) -> unsigned int"""
9564 return _IMP_kernel._RestraintsScoringFunction_add_restraint(self, r)
9567 r"""add_restraints(_RestraintsScoringFunction self, IMP::Vector< IMP::Pointer< IMP::Restraint >,std::allocator< IMP::Pointer< IMP::Restraint > > > const & r)"""
9568 return _IMP_kernel._RestraintsScoringFunction_add_restraints(self, r)
9570 def _python_index_restraint(self, r, start, stop):
9571 r"""_python_index_restraint(_RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9572 return _IMP_kernel._RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9575 r"""get_version_info(_RestraintsScoringFunction self) -> VersionInfo"""
9576 return _IMP_kernel._RestraintsScoringFunction_get_version_info(self)
9577 __swig_destroy__ = _IMP_kernel.delete__RestraintsScoringFunction
9581 return _object_cast_to__RestraintsScoringFunction(o)
9584 def __get_restraints(self):
9585 return _list_util.VarList(
9586 getdimfunc=self.get_number_of_restraints,
9587 getfunc=self.get_restraint, erasefunc=self.erase_restraint,
9588 appendfunc=self.add_restraint, extendfunc=self.add_restraints,
9589 clearfunc=self.clear_restraints,
9590 indexfunc=self._python_index_restraint)
9592 def __set_restraints(self, obj):
9593 _list_util.set_varlist(self.restraints, obj)
9595 def __del_restraints(self):
9596 _list_util.del_varlist(self.restraints)
9598 restraints = property(__get_restraints, __set_restraints,
9599 __del_restraints, doc=
"List of Restraints")
9603 import IMP._jax_util
9604 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9605 funcs = [j.score_func
for j
in jis]
9606 keys = frozenset(x
for j
in jis
for x
in j._keys)
9608 return sum(f(jm)
for f
in funcs)
9609 return IMP._jax_util.JAXRestraintInfo(
9610 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9614 _IMP_kernel._RestraintsScoringFunction_swigregister(_RestraintsScoringFunction)
9616 r"""Proxy of C++ IMP::ScopedSetAttribute< IMP::FloatKey,IMP::Float > class."""
9618 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9620 def __init__(self, *args):
9622 __init__(ScopedSetFloatAttribute self) -> ScopedSetFloatAttribute
9623 __init__(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value) -> ScopedSetFloatAttribute
9625 _IMP_kernel.ScopedSetFloatAttribute_swiginit(self, _IMP_kernel.new_ScopedSetFloatAttribute(*args))
9627 def set(self, p, key, value):
9628 r"""set(ScopedSetFloatAttribute self, Particle p, FloatKey key, double const & value)"""
9629 return _IMP_kernel.ScopedSetFloatAttribute_set(self, p, key, value)
9632 r"""reset(ScopedSetFloatAttribute self)"""
9633 return _IMP_kernel.ScopedSetFloatAttribute_reset(self)
9634 __swig_destroy__ = _IMP_kernel.delete_ScopedSetFloatAttribute
9636 def show(self, *args):
9637 r"""show(ScopedSetFloatAttribute self, _ostream out=std::cout)"""
9638 return _IMP_kernel.ScopedSetFloatAttribute_show(self, *args)
9641 r"""__str__(ScopedSetFloatAttribute self) -> std::string"""
9642 return _IMP_kernel.ScopedSetFloatAttribute___str__(self)
9645 r"""__repr__(ScopedSetFloatAttribute self) -> std::string"""
9646 return _IMP_kernel.ScopedSetFloatAttribute___repr__(self)
9649 _IMP_kernel.ScopedSetFloatAttribute_swigregister(ScopedSetFloatAttribute)
9651 def _get_module_data_path(module, file_name):
9652 r"""_get_module_data_path(std::string module, std::string file_name) -> std::string"""
9653 return _IMP_kernel._get_module_data_path(module, file_name)
9655 def _get_module_example_path(module, file_name):
9656 r"""_get_module_example_path(std::string module, std::string file_name) -> std::string"""
9657 return _IMP_kernel._get_module_example_path(module, file_name)
9666 if sys.platform ==
'win32' and 'IMP_LD_PATH' in os.environ:
9667 dirs = os.environ[
'IMP_LD_PATH'].split(
":")
9668 pathcomps = os.environ[
'PATH'].split(
";")
9670 if d
not in pathcomps:
9671 os.environ[
'PATH'] = d +
';' + os.environ[
'PATH']
9679 """Allow command line tools to easily implement multiple commands.
9680 Typically, an IMP command line tool will use an instance of this class
9681 to provide a consistent interface to multiple distinct commands
9682 from a single binary, rather than providing a potentially large
9683 number of binaries. This is similar to the way a number of common
9684 command line tools outside of IMP function (e.g. Git provides a single
9685 `git` tool which implements multiple commands - `git add`, `git commit`,
9686 `git push` and so on).
9688 Each command is implemented with a Python module of the same name
9689 that can be imported from the module (for example, if `module_name`
9690 is `IMP.foo`, the `bar` command is provided by the `IMP.foo.bar` Python
9691 module, which would usually be found as `modules/foo/pyext/src/bar.py`).
9692 Each such module should have a docstring and a `%main()` method
9693 that takes no arguments (the module should also call its `%main()` method
9694 if it is run directly, i.e. with something like
9695 `if __name__=="__main__": %main()`). The encompassing module
9696 (`IMP.foo` in the example) should define `_all_commands` as a Python
9697 list of all valid commands.
9699 See the `multifit` and `cnmultifit` command line tools for example
9703 def __init__(self, short_help, long_help, module_name):
9705 @param short_help A few words that describe the command line tool.
9706 @param long_help Longer text, used in the `help` command.
9707 @param module_name Name of the module (e.g. `IMP.foo`) that
9708 implements the commands.
9710 self.short_help = short_help
9711 self.long_help = long_help
9712 self.module_name = module_name
9713 self._all_commands = self.import_module()._all_commands
9714 self._progname = os.path.basename(sys.argv[0])
9717 """Call this method to act upon the user-provided command line"""
9718 if len(sys.argv) <= 1:
9719 print(self.short_help +
" Use '%s help' for help." % self._progname)
9721 command = sys.argv[1]
9722 if command
in (
'help',
'--help',
'-h'):
9723 if len(sys.argv) == 3:
9724 self.show_command_help(sys.argv[2])
9727 elif command ==
'--version':
9729 elif command
in self._all_commands:
9730 self.do_command(command)
9732 self.unknown_command(command)
9734 def import_module(self, mod=None):
9735 modname = self.module_name
9737 modname +=
"." + mod
9738 return __import__(modname, {}, {}, [
''])
9740 def unknown_command(self, command):
9741 print(
"Unknown command: '%s'" % command)
9742 print(
"Use '%s help' for help." % self._progname)
9745 def _get_version(self):
9748 def show_version(self):
9749 print(self._progname +
' ' + self._get_version())
9751 def show_help(self):
9752 ver = self._get_version()
9753 print(
"%s, version %s." % (self._progname, ver))
9754 print(self.long_help +
"""
9756 This program is part of IMP, the Integrative Modeling Platform,
9758 For additional information about IMP, see <https://integrativemodeling.org>.
9760 Usage: %s <command> [options] [args]
9763 commands = self._all_commands[:] + [
'help']
9765 cmdlen = max([len(c)
for c
in commands])
9768 doc =
'Get help on using %s.' % self._progname
9770 doc = self.import_module(c).__doc__
or "<no help>"
9771 c +=
' ' * (cmdlen - len(c))
9772 print(
' ' + c +
' ' + doc)
9774 Use "%s help <command>" for detailed help on any command
9775 or "%s --version" to see the version number.""" % (self._progname,
9778 def do_command(self, command):
9779 mod = self.import_module(command)
9780 sys.argv[0] = self._progname +
' ' + command
9784 def show_command_help(self, command):
9785 if command ==
'help':
9787 elif command
in self._all_commands
or command ==
'help':
9788 mod = self.import_module(command)
9789 sys.argv = [self._progname +
' ' + command,
'--help']
9792 self.unknown_command(command)
9799 g = networkx.DiGraph()
9800 if len(ig.get_vertices()) == 0:
9809 return self.p.get_name()
9811 def __call__(self, name):
9812 return self.p.__call__(name)
9814 for vi
in ig.get_vertices():
9815 n = ig.get_vertex_name(vi)
9816 g.add_node(NodeWrapper(n))
9817 for vi
in ig.get_vertices():
9818 n = ig.get_vertex_name(vi)
9819 for ni
in ig.get_out_neighbors(vi):
9820 nn = ig.get_vertex_name(ni)
9821 g.add_edge(NodeWrapper(n), NodeWrapper(nn))
9828 n0 = name.get_name()
9831 n1 = str(n0).replace(
'"',
'')
9832 n2 = n1.replace(
"\n",
'')
9835 from altgraph
import Graph, Dot
9836 graph = Graph.Graph()
9837 for i, v
in enumerate(g.get_vertices()):
9839 for i, v
in enumerate(g.get_vertices()):
9840 for n
in g.get_out_neighbors(v):
9841 graph.add_edge(v, n)
9842 dot = Dot.Dot(graph)
9843 for i, v
in enumerate(g.get_vertices()):
9844 dot.node_style(i, label=clean(g.get_vertex_name(v)))
9852 st = g.get_graphviz_string()
9853 with open(tfn,
"w")
as fh:
9856 print(
"running dot")
9857 sp = subprocess.Popen([
"dot",
"-Tpdf", tfn,
"-o" + tfon])
9861 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")
9864 if platform.system() ==
"Darwin":
9867 cmd = [
"gv",
"acroread",
"xpdf"]
9870 print(
"launching viewer " + c)
9872 subprocess.check_call([c, tfon])
9878 print(
"Could not display file. It is saved at " + tfon)
9888 """Mark a Python module as deprecated.
9889 @note The `module` argument would normally be `__name__`.
9890 @see [deprecation support](@ref deprecation)."""
9892 "Module %s is deprecated. %s\n" % (module, help_message))
9895 """Python decorator to mark a class as deprecated.
9896 @see [deprecation support](@ref deprecation)."""
9898 orig_init = obj.__init__
9901 @functools.wraps(orig_init, (
'__name__',
'__doc__'))
9902 def __init__(obj, *args, **keys):
9904 % (type(obj), help_message))
9905 orig_init(obj, *args, **keys)
9906 obj.__init__ = __init__
9911 """Python decorator to mark a method as deprecated.
9912 @see [deprecation support](@ref deprecation)."""
9913 def out_wrapper(obj):
9914 @functools.wraps(obj)
9915 def wrapper(cls, *args, **keys):
9917 % (obj.__name__, type(cls), help_message))
9918 return obj(cls, *args, **keys)
9923 """Python decorator to mark a function as deprecated.
9924 @see [deprecation support](@ref deprecation)."""
9925 def out_wrapper(obj):
9926 @functools.wraps(obj)
9927 def wrapper(*args, **keys):
9929 % (obj.__name__, help_message))
9930 return obj(*args, **keys)
9934 @contextlib.contextmanager
9936 """Context manager to temporarily allow (or disallow) deprecated code.
9937 @see [deprecation support](@ref deprecation)."""
9944 def _get_all_flags(ntokens):
9945 r"""_get_all_flags(unsigned int ntokens) -> IMP::Strings"""
9946 return _IMP_kernel._get_all_flags(ntokens)
9948 def _print_internal_help(out, description):
9949 r"""_print_internal_help(_ostream out, std::string description)"""
9950 return _IMP_kernel._print_internal_help(out, description)
9956 class _PassThroughAction(argparse.Action):
9957 """Pass an argument through to the IMP Boost parser"""
9958 def __call__(self, parser, namespace, values, option_string=None):
9959 parser._boost_command_line.append(option_string)
9961 parser._boost_command_line.append(values)
9964 if option_string
in (
'-h',
'--help',
'--help_advanced',
'--version'):
9965 parser._handle_boost()
9969 """IMP-specific subclass of argparse.ArgumentParser.
9970 This adds options common to all IMP applications
9971 (see IMP::setup_from_argv()).
9974 def __init__(self, *args, **kwargs):
9976 kwargs[
'add_help'] =
False
9977 super().__init__(*args, **kwargs)
9978 for ntoken
in (0, 1):
9979 flags = _get_all_flags(ntoken)
9981 arg = [
'-h',
'--help']
if f ==
'help' else [
'--' + f]
9982 self.add_argument(*arg, help=argparse.SUPPRESS,
9983 nargs=
None if ntoken
else 0,
9984 action=_PassThroughAction,
9985 default=argparse.SUPPRESS)
9988 """Parse the command line and return optional and positional arguments.
9989 This functions in the same way as the method in the base class
9990 argparse.ArgumentParser, except that it also processes optional
9991 arguments common to all IMP applications (these are not returned
9992 in `args`, but can be obtained in the usual way, e.g. by calling
9993 IMP::get_string_flag()).
9996 self._boost_command_line = [sys.argv[0]]
9998 if len(self._boost_command_line) > 1:
9999 self._handle_boost()
10002 def _get_description(self):
10003 return self.format_help() +
"\nOptions common to all IMP applications:"
10005 def print_help(self, file=None):
10006 _print_internal_help(file
if file
else sys.stdout,
10007 self._get_description())
10009 def _handle_boost(self):
10011 self._get_description(),
10014 class RandomNumberGenerator(object):
10015 r"""Proxy of C++ IMP::RandomNumberGenerator class."""
10017 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10018 __repr__ = _swig_repr
10021 r"""seed(RandomNumberGenerator self, int x)"""
10022 return _IMP_kernel.RandomNumberGenerator_seed(self, x)
10024 def __call__(self):
10025 r"""__call__(RandomNumberGenerator self) -> int"""
10026 return _IMP_kernel.RandomNumberGenerator___call__(self)
10028 def __init__(self):
10029 r"""__init__(RandomNumberGenerator self) -> RandomNumberGenerator"""
10030 _IMP_kernel.RandomNumberGenerator_swiginit(self, _IMP_kernel.new_RandomNumberGenerator())
10031 __swig_destroy__ = _IMP_kernel.delete_RandomNumberGenerator
10034 _IMP_kernel.RandomNumberGenerator_swigregister(RandomNumberGenerator)
10038 get_random_float_uniform() -> float
10039 get_random_float_uniform(float min, float max) -> float
10041 return _IMP_kernel.get_random_float_uniform(*args)
10045 get_random_double_uniform() -> double
10046 get_random_double_uniform(double min, double max) -> double
10048 return _IMP_kernel.get_random_double_uniform(*args)
10050 def get_random_floats_normal(n, mean=0.0, stddev=1.0):
10051 r"""get_random_floats_normal(unsigned int n, float mean=0.0, float stddev=1.0) -> IMP::Vector< float,std::allocator< float > >"""
10052 return _IMP_kernel.get_random_floats_normal(n, mean, stddev)
10054 def get_random_doubles_normal(n, mean=0.0, stddev=1.0):
10055 r"""get_random_doubles_normal(unsigned int n, double mean=0.0, double stddev=1.0) -> IMP::Vector< double,std::allocator< double > >"""
10056 return _IMP_kernel.get_random_doubles_normal(n, mean, stddev)
10058 def get_random_floats_uniform(n):
10059 r"""get_random_floats_uniform(unsigned int n) -> IMP::Vector< float,std::allocator< float > >"""
10060 return _IMP_kernel.get_random_floats_uniform(n)
10062 def get_random_doubles_uniform(n):
10063 r"""get_random_doubles_uniform(unsigned int n) -> IMP::Vector< double,std::allocator< double > >"""
10064 return _IMP_kernel.get_random_doubles_uniform(n)
10067 r"""get_random_seed() -> boost::uint64_t"""
10068 return _IMP_kernel.get_random_seed()
10070 def _get_derivatives_numpy(m, k, m_pyobj, read_only):
10071 r"""_get_derivatives_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10072 return _IMP_kernel._get_derivatives_numpy(m, k, m_pyobj, read_only)
10074 def _get_floats_numpy(m, k, m_pyobj, read_only):
10075 r"""_get_floats_numpy(Model m, FloatKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10076 return _IMP_kernel._get_floats_numpy(m, k, m_pyobj, read_only)
10078 def _get_ints_numpy(m, k, m_pyobj, read_only):
10079 r"""_get_ints_numpy(Model m, IntKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10080 return _IMP_kernel._get_ints_numpy(m, k, m_pyobj, read_only)
10082 def _get_vector3ds_numpy(m, k, m_pyobj, read_only):
10083 r"""_get_vector3ds_numpy(Model m, Vector3DKey k, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10084 return _IMP_kernel._get_vector3ds_numpy(m, k, m_pyobj, read_only)
10086 def _get_spheres_numpy(m, m_pyobj, read_only):
10087 r"""_get_spheres_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10088 return _IMP_kernel._get_spheres_numpy(m, m_pyobj, read_only)
10090 def _get_sphere_derivatives_numpy(m, m_pyobj, read_only):
10091 r"""_get_sphere_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10092 return _IMP_kernel._get_sphere_derivatives_numpy(m, m_pyobj, read_only)
10094 def _get_internal_coordinates_numpy(m, m_pyobj, read_only):
10095 r"""_get_internal_coordinates_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10096 return _IMP_kernel._get_internal_coordinates_numpy(m, m_pyobj, read_only)
10098 def _get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only):
10099 r"""_get_internal_coordinate_derivatives_numpy(Model m, PyObject * m_pyobj, bool read_only) -> PyObject *"""
10100 return _IMP_kernel._get_internal_coordinate_derivatives_numpy(m, m_pyobj, read_only)
10104 ParticleIndex = numpy.intc
10105 except ImportError:
10110 """Warning for incomplete JAX support or different behavior of JAX code"""
10114 def get_module_name():
10115 r"""get_module_name() -> std::string const"""
10116 return _IMP_kernel.get_module_name()
10119 r"""get_module_version() -> std::string const"""
10120 return _IMP_kernel.get_module_version()
10123 r"""get_example_path(std::string fname) -> std::string"""
10124 return _IMP_kernel.get_example_path(fname)
10127 r"""get_data_path(std::string fname) -> std::string"""
10128 return _IMP_kernel.get_data_path(fname)
10130 from .
import _version_check
10135 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.
Represents a scoring function on the model.
void set_log_timer(bool tb)
Set whether log messages are tagged with the current log time.
void show_restraint_hierarchy(ScoringFunctionAdaptor rs, std::ostream &out=std::cout)
Print the hierarchy of restraints.
DependencyGraph get_pruned_dependency_graph(Model *m)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Warning for incomplete JAX support or different behavior of JAX code.
Object(std::string name)
Construct an object with the given name.
Array< 2, WeakPointer< Particle >, Particle * > ParticlePair
Key< 5 > IntsKey
The type used to identify int attributes in the Particles.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
Restraints create_restraints(RMF::FileConstHandle fh, Model *m)
Shared optimizer state that is invoked upon commitment of new coordinates.
Abstract predicate function.
Abstract class to implement hierarchical methods.
A base class for modifiers of ParticleTripletsTemp.
std::string show_graphviz(Graph g)
void set_check_level(CheckLevel l)
std::string get_string_flag(std::string name)
networkx::DiGraph get_networkx_graph(Graph g)
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.