schrodinger.application.mopac.mopac_parser module

Command line parsing for the MOPAC backend.

class schrodinger.application.mopac.mopac_parser.MethodOptionAction(option_strings, method_synonyms, valid_methods, **kwargs)

Bases: argparse.Action

Modified argparse Action object that allows for upper or lower-case specification of string options, including synonyms

__init__(option_strings, method_synonyms, valid_methods, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

schrodinger.application.mopac.mopac_parser.index_of_flag_in_args(flag, args)

Look for flag in list of cmdline arguments, allowing for abbreviations. e.g. ‘-jobname’ will pick up ‘-j’.

Parameters:

• args (list) – cmdline arguments
• args – cmdline arguments

Returns:

index of flag in list of arguments, or None if not found.

schrodinger.application.mopac.mopac_parser.parse_args(args)

Parse “$SCHRODINGER/run semi_emp.py” commandline invocation.

Parameters:args (list) – cmdline arguments Return parsed_args:  parsed cmdline arguments