Bonds

Bonds(parent)

Bases: Container

Information that specifies (constant) binding.

cadence = Cadence.ENSEMBLE

covalent = Data[adt.UInt64](store_kind=(StoreKind.ARRAY), uuid='f1e38cb3-2461-4aa6-bc69-a7555074aeb4', description='Atom indices of covalent bonds')

Specifies atom indices that are covalently bonded. Bonds are specified in a two-dimensional array where columns represent the atom index involved in the covalent bond.

label = 'bonds'

n_covalent_bonds(view=None, run_id=None)

Total number of covalent bonds.