get_openff_molecule_bond_indices
- openff.nagl.toolkits.openff.get_openff_molecule_bond_indices(molecule: Molecule) List[Tuple[int, int]] [source]
Get the atom indices of each bond in an OpenFF molecule.
- Parameters:
molecule – The molecule to get the bond indices for.
- Returns:
bond_indices
– The atom indices of each bond in the molecule. The indices are sorted in ascending order for each bond. The bonds are ordered by the molecule bond order.