Package schrodinger :: Package application :: Package desmond :: Package packages :: Module analysis :: Class Centroid

Class Centroid

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
            CenterOf --+
                       |
                      Centroid

Class for computing centroid under periodic boundary condition.

For each frame, the results will be a 2-tuple: (unwrapped-centroid, [unwrapped-positions-of-involved-atoms]).

Instance Methods

[hide private]

__init__(self, msys_model, cms_model, asl=None, gids=None)
Refer to the docstring of Com.__init__.

Inherited from CenterOf (private): _calcCircMean, _postcalc, _precalc

Inherited from GeomAnalyzerBase: __call__

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, msys_model, cms_model, asl=None, gids=None)
(Constructor)

Refer to the docstring of Com.__init__.

Overrides: object.__init__

Class Centroid

__init__(self, msys_model, cms_model, asl=None, gids=None) (Constructor)

init(self, msys_model, cms_model, asl=None, gids=None)
(Constructor)