fake_run_castep#
- autoplex.misc.utils.mock_castep.fake_run_castep(ref_path, input_settings=None, check_inputs=_VFILES, clear_inputs=False)[source]#
Emulate running castep and validate castep input files.
- Parameters:
ref_path (str | Path) – Path to reference directory with castep input files in the folder named ‘inputs’ and output files in the folder named ‘outputs’.
input_settings (Sequence[str] | None) – A list of input settings to check.
check_inputs (Sequence[Literal['castep.param', 'castep.cell']]) – A list of castep input files to check. Supported options are “castep.inp”
clear_inputs (bool) – Whether to clear input files before copying in the reference castep outputs.
- Return type:
None