castep_outputs.cli.castep_outputs_main#

Main castep parser access routines.

Functions

`main`()	Run the main program from command line.
`parse_all`([output, out_format, loglevel, ...])	Parse all files in files dict.
`parse_single`(in_file[, parser, out_format, ...])	Parse a file using the given parser and post-process according to options.
`run`(args)	Runner for main program.

castep_outputs.cli.castep_outputs_main.main()[source]#

Run the main program from command line.

castep_outputs.cli.castep_outputs_main.parse_all(output=None, out_format='json', *, loglevel=30, testing=False, **files)[source]#

Parse all files in files dict.

Parameters:

output (str | Path | TextIO | None) – Filepath or handle to dump output to.
out_format (OutFormats) – Format to dump as.
loglevel (int) – Logging level.
testing (bool) – Whether used for test suite (disable processing fragile properties).
**files (Sequence[Path]) – Dictionary of {parser needed: Sequence of paths to parse}.

Return type:

None

castep_outputs.cli.castep_outputs_main.parse_single(in_file, parser=None, out_format='print', *, loglevel=30, testing=False)[source]#

Parse a file using the given parser and post-process according to options.

Parameters:

in_file (str | Path | TextIO) – Input file to parse.
parser (Callable[[TextIO], list[dict[str, Any]]] | None) – Castep parser to use. If None will be determined from extension.
out_format (OutFormats) – Format to dump as.
loglevel (int) – Logging level.
testing (bool) – Whether used for test suite (disable processing fragile properties).

Returns:

Parsed data.

Raises:

ValueError – If invalid parser provided.

Return type:

list[dict]

castep_outputs.cli.castep_outputs_main.run(args)[source]#

Runner for main program.

castep_outputs.cli.castep_outputs_main