dasdsdasd

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index bd622e955226474173eb97b88e9aee347309fe1d..cc7ef0e295cf10814cefa01d052a38b528edf605 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -557,7 +557,7 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
 
    std::string proLINE {*(Donor.info->name)};
 
-   if( !proLINE.compare("PRO")){ // TODO test this shit
+   if( !proLINE.compare("PRO")){
 
        distanceON = CalculateAtomicDistances(
                Donor.getIndex(backboneAtomTypes::AtomO), Acceptor.getIndex(backboneAtomTypes::AtomN), fr, pbc);
@@ -649,7 +649,9 @@ void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const
    IndexMap.resize(0);
    IndexMap.push_back(_backboneAtoms);
    std::cout << "Trouble :(" << std::endl;
+   std::cout << "Resicompare = " << resicompare << " resinfo size = " << sizeof(top.atoms()->resinfo) << std::endl;
    *(IndexMap[i].info) = top.atoms()->resinfo[resicompare];
+   std::cout << "Post-Trouble :)" << std::endl;
 
    for (gmx::ArrayRef<const int>::iterator ai{ initParams.sel_.atomIndices().begin() }; (ai != initParams.sel_.atomIndices().end()); ++ai){
        if (resicompare != top.atoms()->atom[static_cast<std::size_t>(*ai)].resind)