Package schrodinger :: Package application :: Package jaguar :: Module results :: Class Orbital

Class Orbital

object --+
         |
        Orbital

A class for storing orbital information.

Attributes

energy (float, Hartrees)

symmetry (str)

Instance Methods

__init__(self, energy, symmetry=None)
x.__init__(...) initializes x; see help(type(x)) for signature

__cmp__(this, that)
Compare on orbital energy and the non-reduced symmetry.

__str__(self)
str(x)

__repr__(self)
repr(x)

__sub__(self, other)

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

Class Variables

precision = 0.0001

_special_equiv = {'Pi_g_1': 'Pi_g_2', 'Pi_g_2': 'Pi_g_1', 'Pi_...

Properties

Inherited from object: __class__

Method Details

x.__init__(...) initializes x; see help(type(x)) for signature

str(x)

repr(x)

Class Variable Details

Value:

{'Pi_g_1': 'Pi_g_2',
 'Pi_g_2': 'Pi_g_1',
 'Pi_u_1': 'Pi_u_2',
 'Pi_u_2': 'Pi_u_1'}