Package schrodinger :: Package application :: Package matsci :: Module rxn_path :: Class Coord

Class Coord

object --+
         |
        Coord

Manage the properties of an internal coordinate.

Instance Methods

__init__(self, indicies, names, value)
Create a Coord instance.

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

Class Variables

BOND = 'bond'
hash(x)

ANGLE = 'angle'
hash(x)

DIHEDRAL = 'dihedral'
hash(x)

Properties

Inherited from object: __class__

Method Details

Create a Coord instance.

Parameters:

indiciees - atomic indicies
names (list of str) - atomic names
value (list of float) - value(s) of the internal coordinate in units of Angstrom or degree
indicies (list of int)

Overrides: object.__init__