pymatgen.cli.get_environment — pymatgen 2020.7.3 documentation

# 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'

    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()