← Về thư mục
skills/pymatgen/scripts/composition_structure_validator.py
- validate_composition · function · L25-L93 — def validate_composition( formula: str, *, guess_oxidation_states: bool, ) -> dict[str, Any]
- minimum_distance · function · L96-L108 — def minimum_distance(structure: Any, limit: int) -> tuple[float | None, list[int] | None]
- validate_structure · function · L111-L191 — def validate_structure(structure: Any, args: argparse.Namespace) -> dict[str, Any]
- build_parser · function · L194-L236 — def build_parser() -> argparse.ArgumentParser
- main · function · L239-L296 — def main() -> int