message: Fixes to get expected output from docking with cnn_scoring.
diff: @@ -381,6 +381,8 @@ void do_search(model& m, const boost::optional<model>& ref,
  if (!out_cont.empty())
  {
  out_cont.sort();
  + non_cache_cnn* nc_cnn = dynamic_cast<non_cache_cnn*>(&nc);
  + if (!nc_cnn) {
  const fl best_mode_intramolecular_energy = m.eval_intramolecular(
  prec, authentic_v, out_cont[0].c);
  @@ -391,6 +393,7 @@ void do_search(model& m, const boost::optional<model>& ref,
  user_grid);
  // the order must not change because of non-decreasing g (see paper), but we'll re-sort in case g is non strictly increasing
  out_cont.sort();
  + }
  }
  out_cont = remove_redundant(out_cont, settings.out_min_rmsd);
  @@ -425,8 +428,10 @@ void do_search(model& m, const boost::optional<model>& ref,
  log.endl();
  + float aff = 0;
  + cnnscore = cnn.score(m, false, aff);
  //dkoes - setup result_info
  - results.push_back(result_info(out_cont[i].e, -1, 0, -1, m));
  + results.push_back(result_info(out_cont[i].e, cnnscore, aff, -1, m));
  if (compute_atominfo)
  results.back().setAtomValues(m, &sf);
  