castep_outputs.parsers.parse_utilities

Functions generally used in parsing castep files.

Functions

parse_kpt_info(inp, prop)	Parse standard form of kpt related .*_fmt files.
parse_regular_header(block[, extra_opts])	Parse (semi-)standard castep file header block (given as iterable over lines).

castep_outputs.parsers.parse_utilities.parse_kpt_info(inp, prop)

Parse standard form of kpt related .*_fmt files.

Parameters:

• inp (TextIO) – File to parse.

• prop (str | Sequence[str]) – Names of properties to extract.

Returns:

Parsed data.

Return type:

dict[str, list[int | float]]

castep_outputs.parsers.parse_utilities.parse_regular_header(block, extra_opts=())

Parse (semi-)standard castep file header block (given as iterable over lines).

Parameters:

• block (Block) – Block to parse.

• extra_opts (Sequence[str]) – Extra regexes to match (stored as floats).

Returns:

Parsed header block.

Return type:

dict[str, float | int]