Changeset 372c4cd for molecuilder

Timestamp:

Oct 10, 2008, 1:38:46 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

1e5e16

Parents:

31ed7d

git-author:

Frederik Heber <heber@…> (10/10/08 13:36:06)

git-committer:

Frederik Heber <heber@…> (10/10/08 13:38:46)

Message:

BUGFIX: AssignKeySetsToFragment() had FragmentCounter-- at wrong place

+ MoleculeLeafClass::AssignKeySetsToFragment(): FragmentCounter was decreased even when no keyset had been scanned, setting it to -1, bad for the subsequent free. It has to be decreased again right after the recursive call. Begin and end messages added. Free checks for FreeList=true and ListOfLocalAtoms != NULL (safety measure).
+ MoleculeLeafClass::FillBondStructureFromReference(): No BUG here (no keyset check to prevent increase for subsequent decrease), but same changes

File:

• molecuilder/src/moleculelist.cpp (modified) (6 diffs)

molecuilder/src/moleculelist.cpp

@@ -573 +573 @@
   int AtomNo;
 
+  *out << Verbose(1) << "Begin of FillBondStructureFromReference." << endl;
   // fill ListOfLocalAtoms if NULL was given
   if (!FillListOfLocalAtoms(out, ListOfLocalAtoms, FragmentCounter, reference->AtomCount, FreeList)) {
@@ -601 +602 @@
     if (next != NULL)
       status = next->FillBondStructureFromReference(out, reference, FragmentCounter, ListOfLocalAtoms);
-  }
-  
-  FragmentCounter--;
-  if (FreeList) {
+    FragmentCounter--;
+  }
+  
+  if ((FreeList) && (ListOfLocalAtoms != NULL)) {
     // free the index lookup list
     Free((void **)&ListOfLocalAtoms[FragmentCounter], "MoleculeLeafClass::FillBondStructureFromReference - **ListOfLocalAtoms[]");
@@ -611 +612 @@
   }
   FragmentCounter--;
+  *out << Verbose(1) << "End of FillBondStructureFromReference." << endl;
   return status;
 };
@@ -701 +703 @@
   int KeySetCounter = 0;
   
+  *out << Verbose(1) << "Begin of AssignKeySetsToFragment." << endl;
   // fill ListOfLocalAtoms if NULL was given
   if (!FillListOfLocalAtoms(out, ListOfLocalAtoms, FragmentCounter, reference->AtomCount, FreeList)) {
@@ -740 +743 @@
     if (next != NULL)
       next->AssignKeySetsToFragment(out, reference, KeySetList, ListOfLocalAtoms, FragmentList, FragmentCounter, FreeList);
+    FragmentCounter--;
   } else
     *out << Verbose(1) << "KeySetList is NULL or empty." << endl;
   
-  FragmentCounter--;
-  if (FreeList) {
+  if ((FreeList) && (ListOfLocalAtoms != NULL)) {
     // free the index lookup list
     Free((void **)&ListOfLocalAtoms[FragmentCounter], "MoleculeLeafClass::AssignKeySetsToFragment - **ListOfLocalAtoms[]");
@@ -750 +753 @@
       Free((void **)&ListOfLocalAtoms, "MoleculeLeafClass::AssignKeySetsToFragment - ***ListOfLocalAtoms");
   }
+  *out << Verbose(1) << "End of AssignKeySetsToFragment." << endl;
   return status;
 };