From: Max <Infinity2573@gmail.com>
Date: Mon, 19 Sep 2022 23:32:28 +0000 (+0300)
Subject: asdsadasd
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=42d24f7e5e87dbeb5d5f0f89da9bdd8522ef7099;p=alexxy%2Fgromacs-dssp.git

asdsadasd
---

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 0dccb7d..ed046fa 100644
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -263,6 +263,7 @@ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){
                 for (std::size_t k {1}; k < stride; ++k){
                     if( SecondaryStructuresStatusMap[j + k].getStatus(i) == HelixPositions::None ){
                         SecondaryStructuresStatusMap[j + k].setStatus(HelixPositions::Middle, i);
+                        SecondaryStructuresStatusMap[j + k].setStatus(secondaryStructureTypes::Turn);
                     }
 
                 }
@@ -310,24 +311,24 @@ void secondaryStructures::analyzeTurnsAndHelicesPatterns(){
         }
     }
 
-    for(std::size_t i {1}; i + 1 < SecondaryStructuresStatusMap.size(); ++i){
-        if (SecondaryStructuresStatusMap[i].getStatus(secondaryStructureTypes::Loop)){
-            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>(i) + 3};
-                for(std::size_t k {1}; k < stride; ++k){
-                    isTurn = (i >= k) && (SecondaryStructuresStatusMap[i - k].getStatus(j) == HelixPositions::Start || SecondaryStructuresStatusMap[i - k].getStatus(j) == HelixPositions::Start_AND_End) ;
-                }
-            }
+//    for(std::size_t i {1}; i + 1 < SecondaryStructuresStatusMap.size(); ++i){
+//        if (SecondaryStructuresStatusMap[i].getStatus(secondaryStructureTypes::Loop)){
+//            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>(i) + 3};
+//                for(std::size_t k {1}; k < stride; ++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);
-            }
-            else if (SecondaryStructuresStatusMap[i].getStatus(secondaryStructureTypes::Bend)){
-                SecondaryStructuresStatusMap[i].setStatus(secondaryStructureTypes::Bend);
-            }
-        }
-    }
+//            if (isTurn){
+//                SecondaryStructuresStatusMap[i].setStatus(secondaryStructureTypes::Turn);
+//            }
+//            else if (SecondaryStructuresStatusMap[i].getStatus(secondaryStructureTypes::Bend)){
+//                SecondaryStructuresStatusMap[i].setStatus(secondaryStructureTypes::Bend);
+//            }
+//        }
+//    }
 
 }