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.

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