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Commit 585a059e authored by Valerio Mariani's avatar Valerio Mariani
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Fixes to the logging output

parent 0b999550
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......@@ -151,6 +151,10 @@ int main (int argc, char **argv)
exit(-1);
}
}
if (verbosity_level>0) {
LOG_INFO("LDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Min ModelDist TargetDist Difference Tolerance Status");
}
if (vm.count("bond_tolerance")) {
bond_tolerance=vm["bond_tolerance"].as<Real>();
......@@ -183,8 +187,8 @@ int main (int argc, char **argv)
LOG_INFO("Log entries format:");
LOG_INFO("BOND INFO FORMAT: Chain Residue ResNum Bond Min Max Observed Z-score Status");
LOG_INFO("ANGLE INFO FORMAT: Chain Residue ResNum Angle Min Max Observed Z-score Status");
LOG_INFO("CLASH INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Min Observed Difference Status");
LOG_INFO("LDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Min ModelDist TargetDist Difference Tolerance Status");
LOG_INFO("CLASH INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Observed Difference Status");
LOG_INFO("LDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 ModelDist TargetDist Difference Tolerance Status");
}
for (size_t i=0; i<files.size(); ++i) {
EntityHandle model=load(files[i], profile);
......
......@@ -106,15 +106,15 @@ std::pair<Real, Real> calc_overlap1(ResidueView ref_res,
Real mdl_dist=geom::Length(av1.GetPos()-av2.GetPos());
Real ref_dist=geom::Length(ai->GetPos()-aj->GetPos());
if (std::abs(mdl_dist-ref_dist)<tol) {
LOG_VERBOSE("CLASH:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName()
<< " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetNumber() << " " << av2.GetResidue().GetName() << " " << av2.GetName() << " "
LOG_VERBOSE("LDT:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName()
<< " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " "
<< mdl_dist << " " << ref_dist << " " << mdl_dist-ref_dist << " " << tol << " " << "PASS")
overlap.first+=1;
overlap_list[ref_res.GetIndex()].first+=1.0;
overlap_list[aj->GetResidue().GetIndex()].first+=1.0;
} else {
LOG_INFO("CLASH:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName()
<< " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetNumber() << " " << av2.GetResidue().GetName() << " " << av2.GetName() << " "
LOG_VERBOSE("LDT:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName()
<< " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " "
<< mdl_dist << " " << ref_dist << " " << mdl_dist-ref_dist << " " << tol << " " << "FAIL")
}
}
......
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