asdsad
authorMax <Infinity2573@gmail.com>
Mon, 29 Aug 2022 22:22:34 +0000 (01:22 +0300)
committerMax <Infinity2573@gmail.com>
Mon, 29 Aug 2022 22:22:34 +0000 (01:22 +0300)
src/dssptools.cpp

index 4af06e07ca345c8d771333f7dd6699803bbb4652..946b4503ef3ed5f9f217e0af45b5b7495572d809 100644 (file)
@@ -614,8 +614,7 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
                    Donor.getIndex(backboneAtomTypes::AtomN), Acceptor.getIndex(backboneAtomTypes::AtomC), fr, pbc);
 
            if (initParams.addHydrogens){
-               if (Donor.prevResi != nullptr){
-                   if (Donor.prevResi->getIndex(backboneAtomTypes::AtomC) && Donor.prevResi->getIndex(backboneAtomTypes::AtomO)){
+               if (Donor.prevResi != nullptr && Donor.prevResi->getIndex(backboneAtomTypes::AtomC) && Donor.prevResi->getIndex(backboneAtomTypes::AtomO)){
                    std::cout << "On donor " << Donor.info->nr << *(Donor.info->name) << std::endl;
                    std::cout << "Prev donor is " << Donor.prevResi->info->nr << *(Donor.prevResi->info->name) << std::endl;
                    std::cout << "Prev C index is " << Donor.prevResi->getIndex(backboneAtomTypes::AtomC) << std::endl;
@@ -632,8 +631,6 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
                    std::cout << "O" << std::endl;
                    distanceHC = CalculateAtomicDistances(atomH, Acceptor.getIndex(backboneAtomTypes::AtomC), fr, pbc);
                    std::cout << "L" << std::endl;
-                   }
-                   }
                }
                else{
                    distanceHO = distanceNO;