From: Max Date: Mon, 26 Sep 2022 22:29:52 +0000 (+0300) Subject: dasdsad X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=82a88dd235b8eb70d1d2a1dfde6aee12a02bee85;p=alexxy%2Fgromacs-dssp.git dasdsad --- diff --git a/src/dssptools.cpp b/src/dssptools.cpp index ba9a431..bb70a63 100644 --- a/src/dssptools.cpp +++ b/src/dssptools.cpp @@ -291,6 +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; if ( abs(i_partner - j_partner) < 6){ if (i_partner < j_partner){ second_strand = i_partner; @@ -298,7 +302,7 @@ void secondaryStructures::analyzeBridgesAndStrandsPatterns(){ else{ second_strand = j_partner; } - for(std::size_t k{abs(i_partner - j_partner)}; k >= 0; --k){ + for(int k{abs(i_partner - j_partner)}; k >= 0; --k){ SecondaryStructuresStatusMap[second_strand + k].setStatus(secondaryStructureTypes::Strand); std::cout << second_strand + k << " is strand" << std::endl; }