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

Class Coord

object --+
         |
        Coord

Manage the properties of an internal coordinate.

Instance Methods

[hide private]

__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

[hide private]

BOND = 'bond'

ANGLE = 'angle'

DIHEDRAL = 'dihedral'

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, indicies, names, value)
(Constructor)

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__

Class Coord

__init__(self, indicies, names, value) (Constructor)

init(self, indicies, names, value)
(Constructor)