[cclib-devel] parser main functions

[Adam T. <ate...@gm...>]

Hi all,

When testing recent changes to a parser, I've always wanted a way to just call 'python parser.py filename' to see if it works without resorting to another python script and/or installing and running ccget. I figured this could be handled in the main function, which I've modified for the gamessparser:

--
if __name__ == "__main__":
    import doctest, gamessparser, sys 
    if len(sys.argv) == 1:
        doctest.testmod(gamessparser, verbose=False)

    if len(sys.argv) >= 2:
        parser = gamessparser.GAMESS(sys.argv[1])
        data = parser.parse()

    if len(sys.argv) > 2:
        for i in range(len(sys.argv[2:])):
            if hasattr(data, sys.argv[2 + i]):
                print getattr(data, sys.argv[2 + i]) 
--

Does this seem reasonable? Should it be added to the other parsers?

Adam