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)
