-// for(std::vector<ResInfo>::iterator Donor {IndexMap.begin()}; Donor != IndexMap.end() ; ++Donor){
-// for(std::vector<ResInfo>::iterator Acceptor {Donor + 1} ; Acceptor != IndexMap.end() ; ++Acceptor){
-// if(CalculateAtomicDistances(
-// Donor->getIndex(backboneAtomTypes::AtomCA), Acceptor->getIndex(backboneAtomTypes::AtomCA), fr, pbc)
-// < minimalCAdistance){
-// calculateHBondEnergy(*Donor, *Acceptor, fr, pbc);
-// if (Acceptor != Donor + 1){
-// calculateHBondEnergy(*Acceptor, *Donor, fr, pbc);
-// }
-// }
-// }
-// }
- for(std::size_t i {0}; i + 1 < IndexMap.size(); ++i ){
- for(std::size_t j {i + 1}; j < IndexMap.size(); ++j){
+ for(std::vector<ResInfo>::iterator Donor {IndexMap.begin()}; Donor != IndexMap.end() ; ++Donor){
+ for(std::vector<ResInfo>::iterator Acceptor {Donor + 1} ; Acceptor != IndexMap.end() ; ++Acceptor){