Source code for pymatgen.cli.get_environment
#!/usr/bin/env python
"""
Implementation for get_environment CLI.
"""
from pymatgen.analysis.chemenv.utils.scripts_utils import compute_environments, welcome, thankyou
from pymatgen.analysis.chemenv.utils.chemenv_config import ChemEnvConfig
from argparse import ArgumentParser
import logging
__author__ = 'waroquiers'
[docs]def main():
"""
Main function.
"""
m_description = 'Welcome to the Chemical Environment Package.'
parser = ArgumentParser(description=m_description)
setup_help = 'Used to setup the configuration of the package '
setup_help += '(MaterialsProject access, ICSD database access, package options, ...)'
parser.add_argument('-s', '--setup', help=setup_help, action='store_true')
parser.add_argument('-m', '--message-level', help='Message level (DEBUG, INFO, WARNING, ERROR or CRITICAL - '
'default : WARNING)',
default='WARNING')
args = parser.parse_args()
if args.setup:
chemenv_config = ChemEnvConfig.auto_load()
chemenv_config.setup()
print('\n Setup completed')
else:
chemenv_config = ChemEnvConfig.auto_load()
welcome(chemenv_config)
logging.basicConfig(format='%(levelname)s:%(module)s:%(funcName)s:%(message)s', level=args.message_level)
compute_environments(chemenv_config)
thankyou()
if __name__ == '__main__':
main()