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Adds Extra Parameter to Logs and Updates Version Variable

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This commit is contained in:
Vitor Hideyoshi
2024-07-24 00:47:58 -03:00
parent 95a88ccc34
commit 2192bac293
9 changed files with 427 additions and 433 deletions
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52
crystalpol/shared/utils/log.py
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@@ -19,31 +19,55 @@ class Log:
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")
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")
logger.info(
"------------------------------------------------------------------------------------------"
)
logger.info(
f" RUN Results: "
)
logger.info(
"------------------------------------------------------------------------------------------\n"
)
@staticmethod
def make_run(cycle, max_charge_diff, charge_diff, crystal, logger=None):
def make_run(
cycle, max_charge_diff, min_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"cycle: {cycle}\n")
logger.info(f"Max charge diff: {max_charge_diff:.5f}")
logger.info(f"Min charge diff: {min_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"------------------------------------------------------------------------------------------")
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} ")
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")
logger.info(
"\n------------------------------------------------------------------------------------------\n"
)