schrodinger.application.mopac.mopac_parser module¶
Command line parsing for the MOPAC backend.
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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
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__init__
(option_strings, method_synonyms, valid_methods, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
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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.
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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