Package schrodinger :: Package application :: Package qsite :: Module input :: Class _MopacDict

Class _MopacDict

UserDict.DictMixin --+
                     |
                    _MopacDict

A dictionary-like class for getting and setting keywords in the &mopac section of qsite input, which controls the Jaguar/MOPAC portion of the calculation.

Note the 'default' method, which is non-standard for dictionaries. It retrieves the default value for a keyword.

Instance Methods

[hide private]

__init__(self, handle)

default(self, key)
Return the default value for the provided keyword.

__getitem__(self, key)
Get a value for a &mopac section keyword.

__setitem__(self, key, value)
Set a value for the &mopac section.

__delitem__(self, key)
Delete a keyword from the &mopac section.

keys(self)
Return the keys for the &mopac section.

Inherited from UserDict.DictMixin: __cmp__, __contains__, __iter__, __len__, __repr__, clear, get, has_key, items, iteritems, iterkeys, itervalues, pop, popitem, setdefault, update, values

Method Details

[hide private]

keys(self)

Return the keys for the &mopac section. Note that only keys with non-default values will be returned.