Package schrodinger :: Module structure :: Class SmilesReader

Class SmilesReader

                 object --+    
                          |    
_ReaderWriterContextManager --+
                              |
                             SmilesReader

A class for reading structures from a SMILES formatted file. Returns instances of SmilesStructure.

Instance Methods

[hide private]

__init__(self, filename, index=1)
Initialize with a filename, an optional starting index (default of 1).

__del__(self)

__iter__(self)
Return the iterator for all SmilesStructures from the file

next(self)
Return the next SmilesStructure from the file.

Inherited from _ReaderWriterContextManager: __enter__, __exit__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, filename, index=1)
(Constructor)

Initialize with a filename, an optional starting index (default of 1).

Overrides: object.__init__

next(self)

Return the next SmilesStructure from the file.

Raises StopIteration on EOF.

Class SmilesReader

__init__(self, filename, index=1) (Constructor)

next(self)

init(self, filename, index=1)
(Constructor)