get_molecule_hybridizations
- openff.nagl.toolkits.openff.get_molecule_hybridizations(molecule: Molecule, toolkit_registry=NAGL_TOOLKIT_REGISTRY) List[HybridizationType] [source]
Get the hybridization of each atom in a molecule.
- Parameters:
molecule (
openff.toolkit.topology.Molecule
) – The molecule to get the hybridizations of.toolkit_registry – The toolkit registry to use
- Returns:
hybridizations (
List[HybridizationType]
) – The hybridization of each atom in the molecule.