get_bonds_are_in_ring_size
- openff.nagl.toolkits.openff.get_bonds_are_in_ring_size(molecule: Molecule, ring_size: int, toolkit_registry=NAGL_TOOLKIT_REGISTRY) List[bool][source]
Determine whether each bond in a molecule is in a ring of a given size.
- Parameters:
molecule (
openff.toolkit.topology.Molecule) – The molecule to compute ring perception forring_size (
int) – The size of the ring to check for.toolkit_registry – The toolkit registry to use
- Returns:
in_ring_size (
List[bool]) – Bonds are in the same order as the molecule’sbondsattribute.