def lj_total_excl

bend-prot@0.1.0.0 · bonded.bend:191

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

191def lj_total_excl(xs: List<&2, P.Atom>, +ys: List<&2, P.Atom>, +eps: F32, +sig2: F32, +c2: F32, +bonds: List<&2, U32>) -> F32:
192  match xs:
193    case Nil{}:
194      0.0
195    case h <> t:
196      match h:
197        case P.Atom{+serial, elem, +pos}:
198          (lj_total_excl(t, ys, eps, sig2, c2, bonds) + lj_row_excl(serial, pos, eps, sig2, c2, ys, bonds) : F32)