diff --git a/modules/mol/alg/src/distance_rmsd_test.cc b/modules/mol/alg/src/distance_rmsd_test.cc index 65993c69c17751ebf58c17756ef14761f2aeef0f..1411c1806f779563f621e17956443233a5a8202a 100644 --- a/modules/mol/alg/src/distance_rmsd_test.cc +++ b/modules/mol/alg/src/distance_rmsd_test.cc @@ -62,12 +62,9 @@ std::pair<Real, long int> calc_rmsd(const ResidueRDMap& res_distance_list, const diff = cap_distance; } if (log) { -// LOG_VERBOSE("drmsd:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName() -// << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " " -// << mdl_dist << " " << values.first << " " << diff) LOG_VERBOSE("drmsd:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName() - << " " << av1.GetPos() << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " " - << av2.GetPos() << " " << mdl_dist << " " << values.first << " " << diff) + << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " " + << mdl_dist << " " << values.first << " " << diff) } rmsd_data.first+=(diff*diff); if (!only_fixed) { @@ -97,12 +94,6 @@ void drmsdt_check_and_swap(const GlobalRDMap& glob_dist_list, const EntityView& rname=="PHE" || rname=="LEU" || rname=="ARG")) { continue; } -// std::pair<long int, long int> ov1=calc_rmsd(i->second, rnum,mdl_chain, sequence_separation, -// cap_distance, true, false, local_rmsd_data_list,false); - -// std::pair<long int, long int> ov2=calc_rmsd(i->second, rnum, mdl_chain, sequence_separation, -// cap_distance, true, true, local_rmsd_data_list,false); - std::pair<long int, long int> ov1=calc_rmsd(i->second, rnum,mdl_chain, sequence_separation, cap_distance, true, false, local_rmsd_data_list,true);