Package schrodinger :: Package application :: Package mopac :: Module mopac_api :: Class CmdlineParser

Class CmdlineParser

object --+
         |
        CmdlineParser

Instance Methods

[hide private]

__init__(self, valid_methods, default_method, method_synonyms)
Commandline parser class for MOPAC API.

parse_args(self, args)
Parse cmdline arguments

method_option_callback(self, option, opt_str, value, parser)
This function is an OptionParser callback that allows for upper or lower-case specification of the calculation method.

add_options(self, default_method)
Populate the parser with cmdline options.

check_parsed_args(self, opts, args)
Check for user errors/conflicts in the parsed arguments.

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, valid_methods, default_method, method_synonyms)
(Constructor)

Commandline parser class for MOPAC API.

Parameters:

valid_methods (list of strs) - supported MOPAC methods (e.g. 'AM1', 'RM1').
default_method (str) - default MOPAC method
method_synonyms (dict) - alternative forms of some MOPAC method names

Overrides: object.__init__

Class CmdlineParser

__init__(self, valid_methods, default_method, method_synonyms) (Constructor)

init(self, valid_methods, default_method, method_synonyms)
(Constructor)