def go_testing(): m_description = 'This program is used to clear and submit jobs from the database' parser = ArgumentParser(description=m_description) parser.add_argument('-c', '--clear', help='clear old databases', action='store_true') parser.add_argument('-n', '--names', help='csv of compound names', default=None) args = parser.parse_args() names = [x.strip() for x in args.names.split(',')] if args.names else None clear_and_submit(args.clear, names)
def go_testing(): m_description = 'This program is used to clear and submit jobs from the database' parser = ArgumentParser(description=m_description) parser.add_argument('-c', '--clear', help='clear old databases', action='store_true') parser.add_argument('-n', '--names', help='csv of compound names', default=None) parser.add_argument('--noboltztrap', help='do NOT run boltztrap', action='store_true') parser.add_argument('--exact', help='exact structure', action='store_true') args = parser.parse_args() names = [x.strip() for x in args.names.split(',')] if args.names else None params = {} if args.noboltztrap: params['boltztrap'] = False if args.exact: params['exact_structure'] = True clear_and_submit(args.clear, names, params)