`chemparseplot.parse.eon._trajectory_common`#

Shared helpers for eOn trajectory parsers.

Module Contents#

`coerce_metadata_value`	Coerce metadata strings back to the expected scalar type.
`resolve_movie_file`	Resolve an eOn movie file that may omit the `.con` suffix.
`require_dat_file`	Return a required trajectory data file or raise a helpful error.
`read_first_structure`	Read the first structure from an eOn CON file.
`read_optional_first`	Return the first matching optional CON structure from `job_dir`.
`load_movie_and_table`	Load the shared movie/data payload for an eOn trajectory parser.
`metadata_value`	Return a typed metadata value from a readcon frame.
`frame_rows_to_table`	Build a table from frame metadata when sidecar TSV data is absent.
`load_optional_payload`	Load an optional file payload if the path exists.

chemparseplot.parse.eon._trajectory_common._COLUMN_CASTERS: dict[str, collections.abc.Callable[[Any], Any]]#: None

chemparseplot.parse.eon._trajectory_common.coerce_metadata_value(column: str, value: Any) → Any#: Coerce metadata strings back to the expected scalar type.

chemparseplot.parse.eon._trajectory_common.resolve_movie_file(job_dir: pathlib.Path, stem: str) → pathlib.Path#: Resolve an eOn movie file that may omit the .con suffix.

chemparseplot.parse.eon._trajectory_common.require_dat_file(job_dir: pathlib.Path, name: str) → pathlib.Path#: Return a required trajectory data file or raise a helpful error.

chemparseplot.parse.eon._trajectory_common.read_first_structure(path: pathlib.Path) → ase.Atoms#: Read the first structure from an eOn CON file.

chemparseplot.parse.eon._trajectory_common.read_optional_first(job_dir: pathlib.Path, names: collections.abc.Sequence[str]) → ase.Atoms | None#: Return the first matching optional CON structure from job_dir.

chemparseplot.parse.eon._trajectory_common.load_movie_and_table(job_dir: pathlib.Path, *, movie_stem: str, dat_name: str, parse_dat: collections.abc.Callable[[pathlib.Path], polars.DataFrame], metadata_columns: collections.abc.Sequence[str], build_table_from_metadata: collections.abc.Callable[[collections.abc.Sequence[object]], polars.DataFrame], log_label: str) → tuple[list[ase.Atoms], polars.DataFrame]#: Load the shared movie/data payload for an eOn trajectory parser.

chemparseplot.parse.eon._trajectory_common.metadata_value(frame: object, key: str) → Any#: Return a typed metadata value from a readcon frame.

chemparseplot.parse.eon._trajectory_common.frame_rows_to_table(frames: collections.abc.Sequence[object], columns: collections.abc.Sequence[str], *, allow_leading_incomplete: bool = False) → polars.DataFrame#: Build a table from frame metadata when sidecar TSV data is absent.

chemparseplot.parse.eon._trajectory_common.load_optional_payload(path: pathlib.Path, loader: collections.abc.Callable[[pathlib.Path], chemparseplot.parse.eon._trajectory_common.T]) → chemparseplot.parse.eon._trajectory_common.T | None#: Load an optional file payload if the path exists.