Package schrodinger :: Package application :: Package jaguar :: Module output :: Class ThermoProp

Class ThermoProp


A class to store the components of calculated thermodynamic properties.

Attributes

total (float)
    The total calculated thermodynamic property.

translational (float)
    The translational contribution to the calculated property.

rotational (float)
    The rotational contribution to the calculated property.

vibrational (float)
    The vibrational contribution to the calculated property.

electronic (float)
    The electronic contribution to the calculated property.

Instance Methods

[hide private]

__init__(self, total, trans=None, rot=None, vib=None, elec=None)

__cmp__(self, other)

__str__(self)

__sub__(self, other)

Class Variables

[hide private]

precision = 1.0e-3