molecular-simulations
molecular_simulations.logging_config module¶
Logging configuration module for molecular_simulations.
This module provides opt-in logging configuration for applications, CLIs, and examples. Library code should not call this implicitly.
- molecular_simulations.logging_config.configure_logging(level=None, to_file=None, fmt=None)[source]¶
Configure logging for the application.
Opt-in configuration for apps/CLIs/examples. Library code should not call this implicitly.
- Parameters:
level (
str|int|None) – The logging level. Can be a string (e.g., ‘INFO’, ‘DEBUG’) or an integer. If None, uses the MS_LOG_LEVEL environment variable or defaults to ‘INFO’.to_file (
str|None) – Path to a log file. If None, uses the MS_LOG_FILE environment variable. If neither is set, logs only to console.fmt (
str|None) – Log message format string. If None, uses the MS_LOG_FMT environment variable or a default format including hostname, PID, and MPI rank.
- Return type:
Example
>>> configure_logging(level="DEBUG", to_file="simulation.log")