from crystalpol.shared.utils import weekday_date_time import logging import sys class Log: @staticmethod def make_header(version: str, config_dict: dict, logger=None): if logger is None: logger = logging.getLogger() logger.info( f"##########################################################################################\n" f"############## Welcome to CRYSTALPOL version {version} ##############\n" f"##########################################################################################\n" ) logger.info(f"Your python version is {sys.version}\n") logger.info(f"Program started on {weekday_date_time()}\n") logger.info("------------------------------------------------------------------------------------------") logger.info(" CRYSTALPOL variables being used in this run: ") logger.info("------------------------------------------------------------------------------------------\n") for key, value in config_dict.items(): logger.info(f"\t{key} = {(value if value else 'Not set')}") logger.info("------------------------------------------------------------------------------------------") logger.info(f" RUN Results: ") logger.info("------------------------------------------------------------------------------------------\n") @staticmethod def make_run(cycle, max_charge_diff, charge_diff, crystal, logger=None): if logger is None: logger = logging.getLogger() logger.info(f"cycle: {cycle}") logger.info(f"\nMax charge diff: {max_charge_diff:.5f}") logger.info(f"Charge Diff: {charge_diff}\n") logger.info(f"------------------------------------------------------------------------------------------") logger.info(f" S rx ry rz chg ") logger.info(f"------------------------------------------------------------------------------------------") for atom in crystal[0][0]: logger.info( f" {atom.symbol.rjust(2)} {float(atom.rx):.6f} {float(atom.ry):.6f} {float(atom.rz):.6f} {float(atom.chg):.6f} ") logger.info("\n------------------------------------------------------------------------------------------\n")