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){
++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) ||