April 16, 2021
2:22 p.m.
Hi, Site families are comparable and even hashable, and are quite efficient at this, so there’s actually nothing wrong with comparing them directly. So instead of Henry’s (that involves formatting a new string each time) if str(site.family) == "<Monatomic lattice e0>": ... one could use the clearer, more robust, and more efficient if site.family == a: ... The above uses the fact that the sublattices of graphene_e were given names: a, b = graphene_e.sublattices Cheers Christoph