httk.atomistic.cli¶

The httk symmetry command: inspect and canonicalize a structure’s symmetry.

The subcommands are thin wrappers over the public symmetry API (canonical_asu(), canonicalize(), rerepresent(), list_representations(), recognize_asu()): they load a file, run one operation, print a human-readable report on stdout, and optionally save the resulting structure. Inputs are loaded with repair=True where the format supports it; repair warnings are reported on stderr through the httk logging channel before the report.

Attributes¶

Handler

Functions¶

`build_parser`(program)	Build the `httk symmetry` command tree.
`command`(argv, context)	Handle the registered top-level `symmetry` command.

Module Contents¶

httk.atomistic.cli.Handler¶

httk.atomistic.cli.build_parser(program)¶

Build the httk symmetry command tree.

Parameters:: program (str) – Program name used by the parser in help and errors.
Returns:: Configured symmetry command parser.
Return type:: argparse.ArgumentParser

httk.atomistic.cli.command(argv, context)¶

Handle the registered top-level symmetry command.

Parameters:

argv (collections.abc.Sequence[str]) – Arguments following the symmetry command name.
context (httk.core.cli.CLIContext) – Root CLI invocation context.

Returns:

Command exit status.

Return type:

int