schrodinger.infra.fast3d module¶
Fast3D wrappers
-
schrodinger.infra.fast3d.
new_instancemethod
(func, inst, cls)¶
-
class
schrodinger.infra.fast3d.
SwigPyIterator
(*args, **kwargs)¶ Bases:
object
-
thisown
¶ The membership flag
-
__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
-
__repr__
()¶
-
__swig_destroy__
()¶
-
__iter__
()¶
-
__add__
()¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__init__': <function SwigPyIterator.__init__>, '__repr__': <function _swig_repr>, '__swig_destroy__': <built-in function delete_SwigPyIterator>, '__iter__': <function SwigPyIterator.__iter__>, '__dict__': <attribute '__dict__' of 'SwigPyIterator' objects>, '__weakref__': <attribute '__weakref__' of 'SwigPyIterator' objects>, '__doc__': None, 'value': <instancemethod SwigPyIterator_value>, 'incr': <instancemethod SwigPyIterator_incr>, 'decr': <instancemethod SwigPyIterator_decr>, 'distance': <instancemethod SwigPyIterator_distance>, 'equal': <instancemethod SwigPyIterator_equal>, 'copy': <instancemethod SwigPyIterator_copy>, 'next': <instancemethod SwigPyIterator_next>, '__next__': <instancemethod SwigPyIterator___next__>, 'previous': <instancemethod SwigPyIterator_previous>, 'advance': <instancemethod SwigPyIterator_advance>, '__eq__': <instancemethod SwigPyIterator___eq__>, '__ne__': <instancemethod SwigPyIterator___ne__>, '__iadd__': <instancemethod SwigPyIterator___iadd__>, '__isub__': <instancemethod SwigPyIterator___isub__>, '__add__': <instancemethod SwigPyIterator___add__>, '__sub__': <instancemethod SwigPyIterator___sub__>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
()¶
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__iadd__
()¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__isub__
()¶
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
()¶
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__next__
()¶
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__sub__
()¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
advance
()¶
-
copy
()¶
-
decr
()¶
-
distance
()¶
-
equal
()¶
-
incr
()¶
-
next
()¶
-
previous
()¶
-
value
()¶
-
-
class
schrodinger.infra.fast3d.
intvector
(*args)¶ Bases:
object
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__iter__
()¶
-
__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
-
__swig_destroy__
()¶
-
__bool__
()¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__delitem__
()¶
-
__delslice__
()¶
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__iter__': <function intvector.__iter__>, '__init__': <function intvector.__init__>, '__swig_destroy__': <built-in function delete_intvector>, '__dict__': <attribute '__dict__' of 'intvector' objects>, '__weakref__': <attribute '__weakref__' of 'intvector' objects>, '__doc__': None, 'iterator': <instancemethod intvector_iterator>, '__nonzero__': <instancemethod intvector___nonzero__>, '__bool__': <instancemethod intvector___bool__>, '__len__': <instancemethod intvector___len__>, '__getslice__': <instancemethod intvector___getslice__>, '__setslice__': <instancemethod intvector___setslice__>, '__delslice__': <instancemethod intvector___delslice__>, '__delitem__': <instancemethod intvector___delitem__>, '__getitem__': <instancemethod intvector___getitem__>, '__setitem__': <instancemethod intvector___setitem__>, 'pop': <instancemethod intvector_pop>, 'append': <instancemethod intvector_append>, 'empty': <instancemethod intvector_empty>, 'size': <instancemethod intvector_size>, 'swap': <instancemethod intvector_swap>, 'begin': <instancemethod intvector_begin>, 'end': <instancemethod intvector_end>, 'rbegin': <instancemethod intvector_rbegin>, 'rend': <instancemethod intvector_rend>, 'clear': <instancemethod intvector_clear>, 'get_allocator': <instancemethod intvector_get_allocator>, 'pop_back': <instancemethod intvector_pop_back>, 'erase': <instancemethod intvector_erase>, 'push_back': <instancemethod intvector_push_back>, 'front': <instancemethod intvector_front>, 'back': <instancemethod intvector_back>, 'assign': <instancemethod intvector_assign>, 'resize': <instancemethod intvector_resize>, 'insert': <instancemethod intvector_insert>, 'reserve': <instancemethod intvector_reserve>, 'capacity': <instancemethod intvector_capacity>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getitem__
()¶
-
__getslice__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__len__
()¶
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__nonzero__
()¶
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__setitem__
()¶
-
__setslice__
()¶
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
append
()¶
-
assign
()¶
-
back
()¶
-
begin
()¶
-
capacity
()¶
-
clear
()¶
-
empty
()¶
-
end
()¶
-
erase
()¶
-
front
()¶
-
get_allocator
()¶
-
insert
()¶
-
iterator
()¶
-
pop
()¶
-
pop_back
()¶
-
push_back
()¶
-
rbegin
()¶
-
rend
()¶
-
reserve
()¶
-
resize
()¶
-
size
()¶
-
swap
()¶
-
-
class
schrodinger.infra.fast3d.
stringvector
(*args)¶ Bases:
object
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__iter__
()¶
-
__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
-
__swig_destroy__
()¶
-
__bool__
()¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__delitem__
()¶
-
__delslice__
()¶
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__iter__': <function stringvector.__iter__>, '__init__': <function stringvector.__init__>, '__swig_destroy__': <built-in function delete_stringvector>, '__dict__': <attribute '__dict__' of 'stringvector' objects>, '__weakref__': <attribute '__weakref__' of 'stringvector' objects>, '__doc__': None, 'iterator': <instancemethod stringvector_iterator>, '__nonzero__': <instancemethod stringvector___nonzero__>, '__bool__': <instancemethod stringvector___bool__>, '__len__': <instancemethod stringvector___len__>, '__getslice__': <instancemethod stringvector___getslice__>, '__setslice__': <instancemethod stringvector___setslice__>, '__delslice__': <instancemethod stringvector___delslice__>, '__delitem__': <instancemethod stringvector___delitem__>, '__getitem__': <instancemethod stringvector___getitem__>, '__setitem__': <instancemethod stringvector___setitem__>, 'pop': <instancemethod stringvector_pop>, 'append': <instancemethod stringvector_append>, 'empty': <instancemethod stringvector_empty>, 'size': <instancemethod stringvector_size>, 'swap': <instancemethod stringvector_swap>, 'begin': <instancemethod stringvector_begin>, 'end': <instancemethod stringvector_end>, 'rbegin': <instancemethod stringvector_rbegin>, 'rend': <instancemethod stringvector_rend>, 'clear': <instancemethod stringvector_clear>, 'get_allocator': <instancemethod stringvector_get_allocator>, 'pop_back': <instancemethod stringvector_pop_back>, 'erase': <instancemethod stringvector_erase>, 'push_back': <instancemethod stringvector_push_back>, 'front': <instancemethod stringvector_front>, 'back': <instancemethod stringvector_back>, 'assign': <instancemethod stringvector_assign>, 'resize': <instancemethod stringvector_resize>, 'insert': <instancemethod stringvector_insert>, 'reserve': <instancemethod stringvector_reserve>, 'capacity': <instancemethod stringvector_capacity>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getitem__
()¶
-
__getslice__
()¶
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__len__
()¶
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__nonzero__
()¶
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__setitem__
()¶
-
__setslice__
()¶
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
append
()¶
-
assign
()¶
-
back
()¶
-
begin
()¶
-
capacity
()¶
-
clear
()¶
-
empty
()¶
-
end
()¶
-
erase
()¶
-
front
()¶
-
get_allocator
()¶
-
insert
()¶
-
iterator
()¶
-
pop
()¶
-
pop_back
()¶
-
push_back
()¶
-
rbegin
()¶
-
rend
()¶
-
reserve
()¶
-
resize
()¶
-
size
()¶
-
swap
()¶
-
-
class
schrodinger.infra.fast3d.
Engine
(*args)¶ Bases:
object
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
-
__swig_destroy__
()¶
-
static
dataDir
()¶
-
static
isFragmentLibraryFile
()¶
-
static
defaultRepositories
()¶
-
static
defaultCustomRepository
()¶
-
FROZEN_ATOMS_PROPERTY_NAME
= 's_f3d_frozen_atoms'¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__init__': <function Engine.__init__>, '__swig_destroy__': <built-in function delete_Engine>, 'dataDir': <staticmethod object>, 'isFragmentLibraryFile': <staticmethod object>, 'defaultRepositories': <staticmethod object>, 'defaultCustomRepository': <staticmethod object>, '__dict__': <attribute '__dict__' of 'Engine' objects>, '__weakref__': <attribute '__weakref__' of 'Engine' objects>, '__doc__': None, 'appendRepository': <instancemethod Engine_appendRepository>, 'invertNitrogens': <instancemethod Engine_invertNitrogens>, 'disallowCisAmides': <instancemethod Engine_disallowCisAmides>, 'setDesiredNumberOfConformers': <instancemethod Engine_setDesiredNumberOfConformers>, 'disableDuplicatesElimination': <instancemethod Engine_disableDuplicatesElimination>, 'autoIncreaseThreshold': <instancemethod Engine_autoIncreaseThreshold>, 'stereo': <instancemethod Engine_stereo>, 'run': <instancemethod Engine_run>, 'partition': <instancemethod Engine_partition>, 'FROZEN_ATOMS_PROPERTY_NAME': 's_f3d_frozen_atoms'})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
appendRepository
()¶
-
autoIncreaseThreshold
()¶
-
disableDuplicatesElimination
()¶
-
disallowCisAmides
()¶
-
invertNitrogens
()¶
-
partition
()¶
-
run
()¶
-
setDesiredNumberOfConformers
()¶
-
stereo
()¶
-
-
class
schrodinger.infra.fast3d.
SingleConformerEngine
(*args)¶ Bases:
object
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
-
__swig_destroy__
()¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__init__': <function SingleConformerEngine.__init__>, '__swig_destroy__': <built-in function delete_SingleConformerEngine>, '__dict__': <attribute '__dict__' of 'SingleConformerEngine' objects>, '__weakref__': <attribute '__weakref__' of 'SingleConformerEngine' objects>, '__doc__': None, 'stereo': <instancemethod SingleConformerEngine_stereo>, 'run': <instancemethod SingleConformerEngine_run>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
run
()¶
-
stereo
()¶
-
-
class
schrodinger.infra.fast3d.
Volumizer
(*args)¶ Bases:
object
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
-
static
defaultConfig
()¶
-
static
newForMaestro
()¶
-
__swig_destroy__
()¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__init__': <function Volumizer.__init__>, 'defaultConfig': <staticmethod object>, 'newForMaestro': <staticmethod object>, '__swig_destroy__': <built-in function delete_Volumizer>, '__dict__': <attribute '__dict__' of 'Volumizer' objects>, '__weakref__': <attribute '__weakref__' of 'Volumizer' objects>, '__doc__': None, 'run': <instancemethod Volumizer_run>, 'ffldVersion': <instancemethod Volumizer_ffldVersion>, 'dielectricConstant': <instancemethod Volumizer_dielectricConstant>, 'skipCM1A': <instancemethod Volumizer_skipCM1A>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
dielectricConstant
()¶
-
ffldVersion
()¶
-
run
()¶
-
skipCM1A
()¶
-
-
class
schrodinger.infra.fast3d.
LigPrep3Volumizer
(*args)¶ Bases:
schrodinger.infra.fast3d.Volumizer
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
-
__swig_destroy__
()¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__init__': <function LigPrep3Volumizer.__init__>, '__swig_destroy__': <built-in function delete_LigPrep3Volumizer>, '__doc__': None})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
static
defaultConfig
()¶
-
dielectricConstant
()¶
-
ffldVersion
()¶
-
static
newForMaestro
()¶
-
run
()¶
-
skipCM1A
()¶
-
-
class
schrodinger.infra.fast3d.
Generalizer
(addBuiltinRules: bool = True)¶ Bases:
object
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__init__
(addBuiltinRules: bool = True)¶ Initialize self. See help(type(self)) for accurate signature.
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__init__': <function Generalizer.__init__>, '__swig_destroy__': <built-in function delete_Generalizer>, '__dict__': <attribute '__dict__' of 'Generalizer' objects>, '__weakref__': <attribute '__weakref__' of 'Generalizer' objects>, '__doc__': None, 'appendRule': <instancemethod Generalizer_appendRule>, 'generalize': <instancemethod Generalizer_generalize>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__swig_destroy__
()¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
appendRule
()¶
-
generalize
()¶
-
-
class
schrodinger.infra.fast3d.
Canonicalizer
(*args)¶ Bases:
object
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.infra.fast3d', 'thisown': <property object>, '__repr__': <function _swig_repr>, '__init__': <function Canonicalizer.__init__>, '__swig_destroy__': <built-in function delete_Canonicalizer>, '__dict__': <attribute '__dict__' of 'Canonicalizer' objects>, '__weakref__': <attribute '__weakref__' of 'Canonicalizer' objects>, '__doc__': None, 'canonicalizePositions': <instancemethod Canonicalizer_canonicalizePositions>, 'canonicalize': <instancemethod Canonicalizer_canonicalize>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.fast3d'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
canonicalize
()¶
-
canonicalizePositions
()¶
-
thisown
¶ The membership flag
-
__repr__
()¶
-
__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
-
__swig_destroy__
()¶
-