void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const TopologyInformation& top, const initParameters &initParamz)
{
+
+ std::cout << "Init started" << std::endl;
initParams = initParamz;
ResInfo _backboneAtoms;
// 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){
if (resicompare != top.atoms()->atom[static_cast<std::size_t>(*ai)].resind)
{
// std::cout << "Atom " << atomname << " №" << *ai << " From Resi " << *(top.atoms()->resinfo[i].name) << " №" << resicompare << std::endl;
// }
}
+
+ std::cout << "initAnalyzyz ended" << std::endl;
}
void DsspTool::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc)