def lj_head_elem

bend-prot@0.1.0.0 · force.bend:276

import Base
import bend-prot@0.1.0.0/geom.bend as G
import bend-prot@0.1.0.0/protein.bend as P

276def lj_head_elem(+si: U32, +pi: G.Vec3, +c2: F32, h: P.Atom) -> F32:
277  match h:
278    case P.Atom{serial, +elem, +pj}:
279      lj_pair_at(pi, pj, lj_combine_eps(lj_eps(si), lj_eps(elem)), lj_combine_sig2(lj_sig(si), lj_sig(elem)), c2)