std::cout << "Testing Helix_" << stride << std::endl;
for(std::size_t j {0}; j + stride < SecondaryStructuresStatusMap.size(); ++j){
std::cout << "Testing " << j << " and " << j + stride << std::endl;
- if ( hasHBondBetween(j, j + stride) && NoChainBreaksBetween(j, j + stride) ){
+ if ( hasHBondBetween(j + stride, j) && NoChainBreaksBetween(j, j + stride) ){
std::cout << j << " and " << j + stride << " has hbond!" << std::endl;
SecondaryStructuresStatusMap[j + stride].setStatus(HelixPositions::End, i);
HbondEnergy = std::round(HbondEnergy * 1000) / 1000;
- if ( HbondEnergy < minEnergy ){
- HbondEnergy = minEnergy;
- }
+// if ( HbondEnergy < minEnergy ){ // I don't think that this is correct
+// HbondEnergy = minEnergy;
+// }
// std::cout << "Calculated energy = " << HbondEnergy << std::endl;
}