Package schrodinger :: Package application :: Package desmond :: Module cms :: Class Vdw

Class Vdw

object --+
         |
        Vdw

A class for handling VDW parameters.

Instance Methods

__init__(self, atom_type, func, c)
Constructor.

c6(self)
c6 = 4 * epsilon * sigma**6

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

Properties

Inherited from object: __class__

Method Details

Constructor.

Parameters:

atom_type - A pair of strings for the names of the two atom types. If only one string is given, the other will be considered as the same as the first one. If more than 2 strings are given, only the first two will be used, and the other ones will be ignored.
func - A string telling the particular VDW potential type.
c - A tuple of floating numbers for the parameters.

Overrides: object.__init__