From 5f51c487a9730329534fec3f32854d3837701654 Mon Sep 17 00:00:00 2001 From: Max Date: Tue, 27 Sep 2022 01:34:34 +0300 Subject: [PATCH] asdasassdasd --- src/dssptools.cpp | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/src/dssptools.cpp b/src/dssptools.cpp index 1581976..bd3c2da 100644 --- a/src/dssptools.cpp +++ b/src/dssptools.cpp @@ -237,7 +237,7 @@ bool secondaryStructures::NoChainBreaksBetween(std::size_t Resi1, std::size_t Re 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; } } @@ -291,10 +291,10 @@ void secondaryStructures::analyzeBridgesAndStrandsPatterns(){ 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; @@ -312,10 +312,10 @@ void secondaryStructures::analyzeBridgesAndStrandsPatterns(){ } } 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; } } @@ -389,11 +389,11 @@ void secondaryStructures::analyzeBridgesAndStrandsPatterns(){ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){ for(const turnsTypes &i : { turnsTypes::Turn_4, turnsTypes::Turn_3, turnsTypes::Turn_5 }){ std::size_t stride {static_cast(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){ -- 2.22.0