}
bool secondaryStructures::NoChainBreaksBetween(std::size_t Resi1, std::size_t Resi2) const{
- bool flag{true};
std::size_t i{Resi1}, j{Resi2}; // From i to j → i <= j
if ( i > j ){
std::swap(i, j);
}
for (; i != j; ++i){
- flag = !(SecondaryStructuresStatusMap[i].isBreakPartnerWith(&SecondaryStructuresStatusMap[i + 1]) && SecondaryStructuresStatusMap[i + 1].isBreakPartnerWith(&SecondaryStructuresStatusMap[i]));
- }
+ if ( !(SecondaryStructuresStatusMap[i].isBreakPartnerWith(&SecondaryStructuresStatusMap[i + 1]) && SecondaryStructuresStatusMap[i + 1].isBreakPartnerWith(&SecondaryStructuresStatusMap[i])) ){
- if (!flag){
+ }
std::cout << "Patternsearch has detected a CHAINBREAK between " << Resi1 << " and " << Resi2 << std::endl;
+ return false;
}
-
- return flag;
+ return true;
}
bridgeTypes secondaryStructures::calculateBridge(std::size_t i, std::size_t j) const{