sadsadad
authorMax <Infinity2573@gmail.com>
Sun, 11 Sep 2022 23:27:25 +0000 (02:27 +0300)
committerMax <Infinity2573@gmail.com>
Sun, 11 Sep 2022 23:27:25 +0000 (02:27 +0300)
src/dssptools.cpp

index 0bb3aad937eb71be54231ca9ab1d15440b108e19..0beeb5fc7fc932233d9c0ab236a0bd706c08749d 100644 (file)
@@ -396,6 +396,7 @@ std::string secondaryStructures::patternSearch(){
         for(std::size_t i {0}, linefactor{0}; i + 1 < SecondaryStructuresStatusMap.size(); ++i, ++linefactor ){
             if( SecondaryStructuresStatusMap[i].getStatus(secondaryStructureTypes::Break) && SecondaryStructuresStatusMap[i + 1].getStatus(secondaryStructureTypes::Break) ){
                 if(SecondaryStructuresStatusMap[i].isBreakPartnerWith(&SecondaryStructuresStatusMap[i + 1]) && SecondaryStructuresStatusMap[i + 1].isBreakPartnerWith(&SecondaryStructuresStatusMap[i]) ){
+                    std::cout << "Break between " << i + 1 << " and " << i + 2 << std::endl;
                     SecondaryStructuresStringLine.insert(SecondaryStructuresStringLine.begin() + i + linefactor, secondaryStructureTypeNames[secondaryStructureTypes::Break]);
                 }
             }
@@ -570,7 +571,7 @@ void DsspTool::calculateBends(const t_trxframe &fr, const t_pbc *pbc)
            PatternSearch.SecondaryStructuresStatusMap[i].setBreak(&PatternSearch.SecondaryStructuresStatusMap[i + 1]);
            PatternSearch.SecondaryStructuresStatusMap[i + 1].setBreak(&PatternSearch.SecondaryStructuresStatusMap[i]);
 
-           std::cout << "Break between " << i << " and " << i + 1 << std::endl;
+           std::cout << "Break between " << i + 1 << " and " << i + 2 << std::endl;
        }
    }
    for (std::size_t i{ 2 }; i + 2 < IndexMap.size() ; ++i)