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

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Class ZVariables

object --+    
         |    
      dict --+
             |
            ZVariables


A class to store Z-variables and their values, generated in scan jobs.

The class is basically a dictionary with added attributes indicating the
length and angle units.

Attributes:

length_unit (str)
    Either Angstrom or Bohr. (The value is equal to one of the module
    level constants unAngstrom or unBohr.)

angle_unit (str)
    Either degree or radian. (The values is equal to one of the
    module level constants unDegree or unRadian.)

Instance Methods

new empty dictionary

__init__(self, length_unit, angle_unit)
x.__init__(...) initializes x; see help(type(x)) for signature

__eq__(self, other)
x==y

__ne__(self, other)
x!=y

Inherited from dict: __cmp__, __contains__, __delitem__, __ge__, __getattribute__, __getitem__, __gt__, __iter__, __le__, __len__, __lt__, __new__, __repr__, __setitem__, __sizeof__, clear, copy, fromkeys, get, has_key, items, iteritems, iterkeys, itervalues, keys, pop, popitem, setdefault, update, values, viewitems, viewkeys, viewvalues

Inherited from object: __delattr__, __format__, __reduce__, __reduce_ex__, __setattr__, __str__, __subclasshook__

Class Variables

precision = 0.01

Inherited from dict: __hash__

Properties

Inherited from object: __class__

Method Details

init(self, length_unit, angle_unit)
(Constructor)

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

Returns: new empty dictionary
Overrides: object.__init__: (inherited documentation)

eq(self, other)
(Equality operator)

x==y

Overrides: dict.__eq__: (inherited documentation)

ne(self, other)

x!=y

Overrides: dict.__ne__: (inherited documentation)