Changes in src/Actions/FragmentationAction/DepthFirstSearchAction.cpp [a3fded:c27778]

File:

• src/Actions/FragmentationAction/DepthFirstSearchAction.cpp (modified) (3 diffs)

src/Actions/FragmentationAction/DepthFirstSearchAction.cpp

@@ -5 +5 @@
  *      Author: heber
  */
+
+#include "Helpers/MemDebug.hpp"
 
 #include "Actions/FragmentationAction/DepthFirstSearchAction.hpp"
@@ -47 +49 @@
     MoleculeLeafClass *Subgraphs = NULL;      // list of subgraphs from DFS analysis
     int *MinimumRingSize = new int[mol->getAtomCount()];
-    atom ***ListOfLocalAtoms = NULL;
+    atom **ListOfAtoms = NULL;
     class StackClass<bond *> *BackEdgeStack = NULL;
     class StackClass<bond *> *LocalBackEdgeStack = NULL;
@@ -56 +58 @@
       while (Subgraphs->next != NULL) {
         Subgraphs = Subgraphs->next;
-        Subgraphs->FillBondStructureFromReference(mol, FragmentCounter, ListOfLocalAtoms, false);  // we want to keep the created ListOfLocalAtoms
+        ListOfAtoms = NULL;
+        Subgraphs->FillBondStructureFromReference(mol, ListOfAtoms, false);  // we want to keep the created ListOfLocalAtoms
         LocalBackEdgeStack = new StackClass<bond *> (Subgraphs->Leaf->BondCount);
-        Subgraphs->Leaf->PickLocalBackEdges(ListOfLocalAtoms[FragmentCounter], BackEdgeStack, LocalBackEdgeStack);
+        Subgraphs->Leaf->PickLocalBackEdges(ListOfAtoms, BackEdgeStack, LocalBackEdgeStack);
         Subgraphs->Leaf->CyclicStructureAnalysis(LocalBackEdgeStack, MinimumRingSize);
         delete(LocalBackEdgeStack);
         delete(Subgraphs->previous);
+        delete[](ListOfAtoms);  // and here we remove it
         FragmentCounter++;
       }
       delete(Subgraphs);
-      for (int i=0;i<FragmentCounter;i++)
-        delete[](ListOfLocalAtoms[i]);
-      delete[](ListOfLocalAtoms);
     }
     delete(BackEdgeStack);