message: Fixes in get_with_node_idx
diff: @@ -54,6 +54,7 @@ bool conf::operator==(const conf& other) const
  }
  fl conf::get_with_node_idx(sz index, sz* node_idx) const {
  + *node_idx = 0;
  VINA_FOR_IN(i, ligands) {
  const ligand_conf& lig = ligands[i];
  if(index < 3) return lig.rigid.position[index];
  @@ -66,12 +67,11 @@ fl conf::get_with_node_idx(sz index, sz* node_idx) const {
  // }
  // TODO instead of this:
  if(index < 4) return ((float*)&lig.rigid.orientation)[index];
  -
  + index -= 4;
  // Count the number of nodes we have/will skip over on this
  // iteration.
  *node_idx += 1 + std::min(index, lig.torsions.size());
  - index -= 4;
  if(index < lig.torsions.size()) return lig.torsions[index];
  index -= lig.torsions.size();
  }
  