ыфвыфв
authorMax <Infinity2573@gmail.com>
Sun, 17 Jul 2022 18:34:28 +0000 (21:34 +0300)
committerMax <Infinity2573@gmail.com>
Sun, 17 Jul 2022 18:34:28 +0000 (21:34 +0300)
src/dssptools.cpp

index 63b6835be05c6aaad660906c920c246c5ae42b8d..506d19acdd6db5b8c776dabe27682d10a48ae0de 100644 (file)
@@ -647,7 +647,7 @@ void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const
    IndexMap.resize(0);
    IndexMap.push_back(_backboneAtoms);
    std::cout << "Trouble :(" << std::endl;
-   IndexMap[i].setInfo(top.atoms()->resinfo[resicompare]);
+   IndexMap[i].setInfo(top.atoms()->resinfo[i]); // bad :(
    std::cout << "Something ended" << std::endl;
 
    for (gmx::ArrayRef<const int>::iterator ai{ initParams.sel_.atomIndices().begin() }; (ai != initParams.sel_.atomIndices().end()); ++ai){
@@ -656,7 +656,7 @@ void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const
            ++i;
            resicompare = top.atoms()->atom[static_cast<std::size_t>(*ai)].resind;
            IndexMap.push_back(_backboneAtoms);
-           IndexMap[i].setInfo(top.atoms()->resinfo[resicompare]);
+           IndexMap[i].setInfo(top.atoms()->resinfo[i]);
 
 //           if( verbose_ && i != 1 && (!IndexMap[i-1].getIndex(backboneAtomTypes::AtomCA) ||
 //              !IndexMap[i-1].getIndex(backboneAtomTypes::AtomC) ||