schrodinger.structutils.io module¶
This module is deprecated. Please use the classes from structure.py module.
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.structutils.io.
MultiFileReader
(files, ignore_errors=False, skip_receptors=False, allow_smiles=False)¶ Bases:
object
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__init__
(files, ignore_errors=False, skip_receptors=False, allow_smiles=False)¶ Initialize self. See help(type(self)) for accurate signature.
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__iter__
()¶
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__next__
()¶ Return the next Structure object
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__class__
¶ alias of
builtins.type
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__delattr__
¶ Implement delattr(self, name).
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__dict__
= mappingproxy({'__module__': 'schrodinger.structutils.io', '__init__': <function MultiFileReader.__init__>, '_nextFile': <function MultiFileReader._nextFile>, '_endOfFile': <function MultiFileReader._endOfFile>, '__iter__': <function MultiFileReader.__iter__>, '__next__': <function MultiFileReader.__next__>, '__dict__': <attribute '__dict__' of 'MultiFileReader' objects>, '__weakref__': <attribute '__weakref__' of 'MultiFileReader' objects>, '__doc__': None})¶
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__dir__
() → list¶ default dir() implementation
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__eq__
¶ Return self==value.
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__format__
()¶ default object formatter
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__ge__
¶ Return self>=value.
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__getattribute__
¶ Return getattr(self, name).
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__gt__
¶ Return self>value.
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__hash__
¶ Return hash(self).
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
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__le__
¶ Return self<=value.
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__lt__
¶ Return self<value.
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__module__
= 'schrodinger.structutils.io'¶
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__ne__
¶ Return self!=value.
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__new__
()¶ Create and return a new object. See help(type) for accurate signature.
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__reduce__
()¶ helper for pickle
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__reduce_ex__
()¶ helper for pickle
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__repr__
¶ Return repr(self).
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__setattr__
¶ Implement setattr(self, name, value).
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__sizeof__
() → int¶ size of object in memory, in bytes
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__str__
¶ Return str(self).
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__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).
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__weakref__
¶ list of weak references to the object (if defined)
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class
schrodinger.structutils.io.
MultiFileWriter
(*args, **kwargs)¶ Bases:
schrodinger.structure.MultiFileStructureWriter
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__class__
¶ alias of
builtins.type
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__delattr__
¶ Implement delattr(self, name).
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__dict__
= mappingproxy({'__module__': 'schrodinger.structutils.io', '__init__': <function MultiFileWriter.__init__>, '__doc__': None})¶
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__dir__
() → list¶ default dir() implementation
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__enter__
()¶
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__eq__
¶ Return self==value.
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__exit__
(type, value, tb)¶
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__format__
()¶ default object formatter
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__ge__
¶ Return self>=value.
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__getattribute__
¶ Return getattr(self, name).
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__gt__
¶ Return self>value.
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__hash__
¶ Return hash(self).
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__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
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__le__
¶ Return self<=value.
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__lt__
¶ Return self<value.
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__module__
= 'schrodinger.structutils.io'¶
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__ne__
¶ Return self!=value.
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__new__
()¶ Create and return a new object. See help(type) for accurate signature.
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__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
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__setattr__
¶ Implement setattr(self, name, value).
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__sizeof__
() → int¶ size of object in memory, in bytes
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__str__
¶ Return str(self).
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__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).
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__weakref__
¶ list of weak references to the object (if defined)
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append
(st)¶
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close
()¶ Close any open file handles
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getFiles
()¶ Return a list of file paths for the written files.
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getNumStructures
()¶ Return the total number of structures that were written.
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