espaloma.graphs.utils.offmol_indices

Functions

angle_indices(offmol)
atom_indices(offmol)
bond_indices(offmol)
improper_torsion_indices(offmol[, improper_def])	"[:1]~[X3:2](~[:3])~[:4]" matches (_all_improper_torsion_indices returns "[:1]~[:2](~[:3])~[*:4]" matches)
proper_torsion_indices(offmol)