def coul_total_excl

bend-prot@0.1.0.0 · bonded.bend:212

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

212def coul_total_excl(xs: List<&2, P.Atom>, +qs_o: List<&2, F32>, +ys: List<&2, P.Atom>, +qs_e: List<&2, F32>, +ke: F32, +c2: F32, +bonds: List<&2, U32>) -> F32:
213  match xs qs_o:
214    case Nil{} Nil{}:
215      0.0
216    case Nil{} qh <> qt:
217      0.0
218    case h <> t Nil{}:
219      0.0
220    case h <> t qh <> qt:
221      +h2 = h
222      (coul_total_excl(t, qt, ys, qs_e, ke, c2, bonds) + coul_row_excl(P.Atom.serial(h2), P.Atom.pos(h2), qh, ke, c2, ys, qs_e, bonds) : F32)