Source code for boltz_data.ccd._default

from collections.abc import Mapping
from functools import cache
from importlib.resources import as_file, files

from ._compressed_dictionary import CompressedChemicalComponentDictionary
from ._models import ChemicalComponent




@cache
def get_builtin_chemical_component_dictionary() -> Mapping[str, ChemicalComponent]:
    """Get the builtin chemical component dictionary."""
    with as_file(files("boltz_data.ccd").joinpath("ccd.pkl.gz")) as path:
        return CompressedChemicalComponentDictionary.from_file(path)