asdasd
authorMax <Infinity2573@gmail.com>
Sun, 17 Jul 2022 16:11:56 +0000 (19:11 +0300)
committerMax <Infinity2573@gmail.com>
Sun, 17 Jul 2022 16:11:56 +0000 (19:11 +0300)
src/dssptools.cpp

index 95b0dd8129f34c3acf088eb9460eb143d92342d4..370ccf9cf30c3ee6ef060af05079d0f8962c2773 100644 (file)
@@ -647,15 +647,11 @@ void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const
    std::cout << "2" << std::endl;
    std::size_t                 i{ 0 };
    int resicompare{ top.atoms()->atom[static_cast<std::size_t>(*(initParams.sel_.atomIndices().begin()))].resind };
+   std::cout << "3" << std::endl;
    IndexMap.resize(0);
    IndexMap.push_back(_backboneAtoms);
+   std::cout << "4" << std::endl;
    IndexMap[i].setInfo(top.atoms()->resinfo[i]);
-
-//   if( *(top.atoms()->resinfo[0].name) == backboneAtomTypeNames[backboneAtomTypes::PRO]){
-//       std::cerr << "PRO detected!" << std::endl;
-//       IndexMap[i].setIndex(backboneAtomTypes::PRO, 1);
-//   }
-
    std::cout << "Something ended" << std::endl;
 
    for (gmx::ArrayRef<const int>::iterator ai{ initParams.sel_.atomIndices().begin() }; (ai != initParams.sel_.atomIndices().end()); ++ai){