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[alexxy/gromacs-dssp.git] / src / dssptools.cpp

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 728346b5bea1b690150eebefa4021cf6f714fe6d..ac47f277c2fe6c5e87be26f00b5570a47dd12083 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -346,14 +346,14 @@ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){
 
     for(std::size_t i {1}; i + 1 < SecondaryStructuresStatusMap.size(); ++i){
         if (SecondaryStructuresStatusMap[i].getStatus() == secondaryStructureTypes::Loop || SecondaryStructuresStatusMap[i].getStatus(secondaryStructureTypes::Bend)){
+            std::cout << "Testing " << i-1 << " and " << i << std::endl;
             bool isTurn = false;
             for(const turnsTypes &j : {turnsTypes::Turn_3, turnsTypes::Turn_4, turnsTypes::Turn_5}){
                 std::size_t stride {static_cast<std::size_t>(j) + 3};
-                for(std::size_t k {1}; k < stride; ++k){
+                for(std::size_t k {1}; k < stride and !isTurn; ++k){
                     isTurn = (i >= k) && (SecondaryStructuresStatusMap[i - k].getStatus(j) == HelixPositions::Start || SecondaryStructuresStatusMap[i - k].getStatus(j) == HelixPositions::Start_AND_End) ;
                 }
             }
-
             if (isTurn){
                 SecondaryStructuresStatusMap[i].setStatus(secondaryStructureTypes::Turn);
             }