diff --git a/modules/qa/src/reduced_potential.cc b/modules/qa/src/reduced_potential.cc index 1799c18e4ee805411a11cd3f9a0f2ee702914d49..b6c308e0cc2747893f0a91d084d6187c027ad9e5 100644 --- a/modules/qa/src/reduced_potential.cc +++ b/modules/qa/src/reduced_potential.cc @@ -144,7 +144,7 @@ Real ReducedPotential::GetTotalEnergy(ost::mol::EntityHandle ent, bool norm) Real ReducedPotential::GetTotalEnergy(ost::mol::EntityView ent, bool norm) { - ReducedEnergiesCalc calc(opts_, energies_, ent, norm); + ReducedEnergiesCalc calc(opts_, energies_, ent.GetHandle(), norm); ent.Apply(calc); return calc.GetEnergy(); } diff --git a/modules/qa/src/reduced_statistics.cc b/modules/qa/src/reduced_statistics.cc index 723fe29f9ec6a4ddb65d260dd54ee2087e643b66..3a75afe840c6c03640e9e4c64719ba34638ee304 100644 --- a/modules/qa/src/reduced_statistics.cc +++ b/modules/qa/src/reduced_statistics.cc @@ -129,7 +129,7 @@ void ReducedStatistics::Extract(mol::EntityHandle ent) if (ent.GetChainCount()!=1) { std::stringstream ss; ss << "Expected exactly one chain, but entity has " - << ent.GetChainCount() << "chains"; + << ent.GetChainCount() << " chains"; throw std::runtime_error(ss.str()); } ReducedStatExtractor extractor(opts_, histo_, ent); @@ -141,10 +141,10 @@ void ReducedStatistics::Extract(mol::EntityView ent) if (ent.GetChainCount()!=1) { std::stringstream ss; ss << "Expected exactly one chain, but entity has " - << ent.GetChainCount() << "chains"; + << ent.GetChainCount() << " chains"; throw std::runtime_error(ss.str()); } - ReducedStatExtractor extractor(opts_, histo_, ent); + ReducedStatExtractor extractor(opts_, histo_, ent.GetHandle()); ent.Apply(extractor); }