Package schrodinger :: Package application :: Package matsci :: Module desmondutils :: Class MinimizeMSJStringer

Class MinimizeMSJStringer

 object --+    
          |    
MSJStringer --+
              |
             MinimizeMSJStringer

An MSJStringer class for Minimizer stages

Instance Methods

__init__(self, iterations=None, last=False, **kwargs)
Create a MinimizeMSJStringer object

str

getTitle(self)
Return a title for the stage describing the main parameters.

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

Class Variables

Properties

Inherited from object: __class__

Method Details

Create a MinimizeMSJStringer object

Parameters:

last (bool) - Whether the msj lines typically associated with the last stage (dir, compress) should be included
iterations (int) - The number of iterations. If not provided the Desmond default will be used.
All other keyword arguments are turned into lines in the .msj file. See parent class for additional information.

Overrides: object.__init__

Return a title for the stage describing the main parameters.