pofff.core.pofff module

Main entry script for pofff.

pofff.core.pofff.check_cmdargs(cmdargs: Namespace) → None

Validate command-line arguments and incompatible operations.

The checks cover input and output paths, evaluation times, saturation and concentration thresholds, options ignored by specialized workflows, and combinations that do not result in any operation.

Parameters:

cmdargs – Parsed arguments returned by parse_args().

Raises:

SystemExit – If an argument is invalid or an incompatible combination is requested.

pofff.core.pofff.cli_config(args: Namespace, *, pofff_path: Path) → CliConfig

Build normalized CLI configuration object.

pofff.core.pofff.generate_figures(cfg: PofffConfig) → None

Generate benchmark plots and comparison figures.

pofff.core.pofff.main(argv: list[str] | None = None) → None

Main pofff execution routine.

pofff.core.pofff.parse_args(argv: list[str] | None = None) → Namespace

Define and parse command-line arguments.

pofff.core.pofff.prepare_jobs_folder(cfg: PofffConfig) → None

Copy job scripts into output/jobs and make them executable.

pofff.core.pofff.prepare_simulation(cfg: PofffConfig) → None

Prepare directories and generate all input files.

pofff.core.pofff.run_simulation_steps(cfg: PofffConfig) → None

Run the selected execution mode.