Initial Implementation of Logs

crystalpol/shared/utils/__init__.py

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+import time
+
+
+def weekday_date_time():
+    return time.strftime("%A, %d %b %Y at %H:%M:%S")

crystalpol/shared/utils/log.py

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+import sys
+
+from crystalpol.shared.config import Config
+
+import logging
+
+from crystalpol.shared.utils import weekday_date_time
+
+
+class Log:
+    @staticmethod
+    def make_header(version: str, config_dict: dict):
+        logging.info(
+            f"##########################################################################################\n"
+            f"##############             Welcome to CRYSTALPOL version {version}             ##############\n"
+            f"##########################################################################################\n"
+        )
+        logging.info(f"Your python version is {sys.version}\n")
+        logging.info(f"Program started on {weekday_date_time()}\n")
+
+        logging.info("------------------------------------------------------------------------------------------")
+        logging.info("                   CRYSTALPOL variables being used in this run:                           ")
+        logging.info("------------------------------------------------------------------------------------------\n")
+        for key, value in config_dict.items():
+            logging.info(f"\t{key} = {(key if key else 'Not set')}")
+
+        logging.info("------------------------------------------------------------------------------------------")
+        logging.info(f"                                      RUN Results:                                       ")
+        logging.info("------------------------------------------------------------------------------------------\n")
+
+    @staticmethod
+    def make_run(cycle, max_charge_diff, charge_diff, crystal):
+        logging.info(f"cycle: {cycle}")
+        logging.info(f"\nMax charge diff: {max_charge_diff}")
+        logging.info(f"Charge Diff: {charge_diff}\n")
+
+        logging.info("------------------------------------------------------------------------------------------")
+        logging.info(f"             S             rx             ry             rz             chg              ")
+        logging.info("------------------------------------------------------------------------------------------")
+        for atom in crystal[0][0]:
+            logging.info(f"             {atom.symbol}        {atom.rx}        {atom.ry}        {atom.rz}        {atom.chg}    ")
+
+        logging.info("\n------------------------------------------------------------------------------------------\n")
+
+