schrodinger.structutils.io module

This module is deprecated. Please use the classes from structure.py module.

Copyright Schrodinger, LLC. All rights reserved.

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.

__iter__()
__next__()

Return the next Structure object

__class__

alias of builtins.type

__delattr__

Implement delattr(self, name).

__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})
__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.structutils.io'
__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

__repr__

Return repr(self).

__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)

class schrodinger.structutils.io.MultiFileWriter(*args, **kwargs)

Bases: schrodinger.structure.MultiFileStructureWriter

__class__

alias of builtins.type

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.structutils.io', '__init__': <function MultiFileWriter.__init__>, '__doc__': None})
__dir__() → list

default dir() implementation

__enter__()
__eq__

Return self==value.

__exit__(type, value, tb)
__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

__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.structutils.io'
__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

__repr__

Return repr(self).

__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)

append(st)
close()

Close any open file handles

getFiles()

Return a list of file paths for the written files.

getNumStructures()

Return the total number of structures that were written.