for (; i != j; ++i){
if ( SecondaryStructuresStatusMap[i].isBreakPartnerWith(&SecondaryStructuresStatusMap[i + 1]) && SecondaryStructuresStatusMap[i + 1].isBreakPartnerWith(&SecondaryStructuresStatusMap[i]) ){
- std::cout << "Patternsearch has detected a CHAINBREAK between " << Resi1 << " and " << Resi2 << std::endl;
+// std::cout << "Patternsearch has detected a CHAINBREAK between " << Resi1 << " and " << Resi2 << std::endl;
return false;
}
}
for(const bridgeTypes &bridgeType : {bridgeTypes::ParallelBridge, bridgeTypes::AntiParallelBridge}){
if (SecondaryStructuresStatusMap[i].hasBridges(bridgeType) && SecondaryStructuresStatusMap[i + j].hasBridges(bridgeType) ){
std::size_t i_partner{SecondaryStructuresStatusMap[i].getBridgePartnerIndex(bridgeType)}, j_partner{SecondaryStructuresStatusMap[i + j].getBridgePartnerIndex(bridgeType)}, second_strand{};
- std::cout << "i = " << i << std::endl;
- std::cout << "j = " << j << std::endl;
- std::cout << "i_partner = " << i_partner << std::endl;
- std::cout << "j_partner = " << j_partner << std::endl;
+// std::cout << "i = " << i << std::endl;
+// std::cout << "j = " << j << std::endl;
+// std::cout << "i_partner = " << i_partner << std::endl;
+// std::cout << "j_partner = " << j_partner << std::endl;
if ( abs(i_partner - j_partner) < 6){
if (i_partner < j_partner){
second_strand = i_partner;
}
}
if (is_Estrand){
-// for(;j >= 0; --j){
-// SecondaryStructuresStatusMap[i + j].setStatus(secondaryStructureTypes::Strand);
-// std::cout << i + j << " is strand" << std::endl;
-// }
+ for(std::size_t k{0}; k <= j; ++k){
+ SecondaryStructuresStatusMap[i + k].setStatus(secondaryStructureTypes::Strand);
+ std::cout << i + k << " is strand" << std::endl;
+ }
break;
}
}
void secondaryStructures::analyzeTurnsAndHelicesPatterns(){
for(const turnsTypes &i : { turnsTypes::Turn_4, turnsTypes::Turn_3, turnsTypes::Turn_5 }){
std::size_t stride {static_cast<std::size_t>(i) + 3};
- std::cout << "Testing Helix_" << stride << std::endl;
+// 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;
+// std::cout << "Testing " << j << " and " << j + stride << std::endl;
if ( hasHBondBetween(j + stride, j) && NoChainBreaksBetween(j, j + stride) ){
- std::cout << j << " and " << j + stride << " has hbond!" << std::endl;
+// std::cout << j << " and " << j + stride << " has hbond!" << std::endl;
SecondaryStructuresStatusMap[j + stride].setStatus(HelixPositions::End, i);
for (std::size_t k {1}; k < stride; ++k){