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

      object --+    
               |    
GeomAnalyzerBase --+
                   |
                  Angle

Calculate the angle formed between three xids. Result is a scalar (angle in degrees) for each trajectory frame.

Instance Methods [hide private]
 
__init__(self, msys_model, cms_model, xid0, xid1, xid2)
The angle is formed by the vectors xid1==>xid0 and xid1==>xid2.
 
_precalc(self, calc)
 
_postcalc(self, calc, *_)

Inherited from GeomAnalyzerBase: __call__

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

Static Methods [hide private]

Inherited from GeomAnalyzerBase (private): _get_sites, _sites2gids

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, msys_model, cms_model, xid0, xid1, xid2)
(Constructor)

 

The angle is formed by the vectors xid1==>xid0 and xid1==>xid2.

Parameters:
  • xid1 (aid or CenterOf type -- Com, Coc, Centroid)
  • xid0 (aid or CenterOf type -- Com, Coc, Centroid)
  • xid2 (aid or CenterOf type -- Com, Coc, Centroid)
Overrides: object.__init__

_precalc(self, calc)

 
Overrides: GeomAnalyzerBase._precalc
(inherited documentation)

_postcalc(self, calc, *_)

 
Overrides: GeomAnalyzerBase._postcalc
(inherited documentation)