diff --git a/modules/mol/alg/src/local_dist_diff_test.cc b/modules/mol/alg/src/local_dist_diff_test.cc index 91bba2f2b29596e80ed8b658b57c056d8e68e812..434d3ccec25d8ff624c8bd8b62bef7bd955791c4 100644 --- a/modules/mol/alg/src/local_dist_diff_test.cc +++ b/modules/mol/alg/src/local_dist_diff_test.cc @@ -92,22 +92,19 @@ std::pair<long int, long int> calc_overlap1(const ResidueRDMap& res_distance_lis continue; } } - - AtomView av2=mdl_chain.FindAtom(second_atom.GetResNum(),second_atom.GetAtomName()); + ResidueView rv2=mdl_chain.FindResidue(second_atom.GetResNum()); overlap.second+=tol_list.size(); - int rindex1=0, rindex2=0; - if (av1) { - rindex1=av1.GetResidue().GetIndex(); - if (!only_fixed) - overlap_list[rindex1].second+=tol_list.size(); - } - - if (av2) { - rindex2=av2.GetResidue().GetIndex(); - if (!only_fixed) - overlap_list[rindex2].second+=tol_list.size(); - + int rindex2=0; + int rindex1=mdl_res.GetIndex(); + if (!only_fixed) + overlap_list[rindex1].second+=tol_list.size(); + if (!rv2) { + continue; } + rindex2=rv2.GetIndex(); + if (!only_fixed) + overlap_list[rindex2].second+=tol_list.size(); + AtomView av2=rv2.FindAtom(second_atom.GetAtomName()); if (!(av1 && av2)) { continue; }