Source code for boltz_data.mol._from._from_path

from pathlib import Path

from boltz_data import fs
from boltz_data.cif import read_single_cif_from_file
from boltz_data.mol._from._from_mmcif import bzmol_from_mmcif
from boltz_data.mol._mol import BZBioMol, BZMol




def bzmol_from_path(path: str | Path, /) -> BZBioMol | BZMol:
    match extension := fs.get_extension(path, ignore_compression=True):
        case ".cbor" | ".yml" | ".yaml" | ".json" | ".pkl":
            return fs.read_object(path, as_=BZBioMol | BZMol)  # type: ignore[no-any-return, call-overload]
        case ".cif":
            return bzmol_from_mmcif(read_single_cif_from_file(path))
        case _:
            msg = f"Unsupported file extension: {extension}"
            raise ValueError(msg)