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-
__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-
__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
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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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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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