Builder.add_hydrogens() – tetramol | tetramol

Builder.add_hydrogens()

Fill atoms up to their default valence (see VALENCES) with hydrogens.

Usage

Builder.add_hydrogens(
    keys=None,
    *,
    avoid=None,
)

Parameters

keys: Collection[int] | None = None: Atoms to fill. Defaults to all heavy atoms.
avoid: ArrayLike | None = None: When an atom needs fewer hydrogens than it has empty slots (e.g. an amine nitrogen), leave the slots closest to this direction empty. By default, the last empty slots are left.

Returns

list[int]: Indices of the new hydrogens.