Changeset d88597 for molecuilder/src/moleculelist.cpp

Timestamp:

May 8, 2008, 3:52:11 PM (18 years ago)

Author:

Frederik Heber <heber@…>

Children:

461e93

Parents:

2b79c3

Message:

new function molecule::CreateMappingLabelsToConfigSequence() creates SortIndex in molecule::FragmentMolecule()

further and now final abstraction of FragmentMolecule()

File:

• molecuilder/src/moleculelist.cpp (modified) (1 diff)

molecuilder/src/moleculelist.cpp

@@ -503 +503 @@
   if (FragmentList == NULL) {
     KeySetCounter = Count();
-    FragmentList = (Graph **) Malloc(sizeof(Graph *)*KeySetCounter, "molecule::FragmentMolecule - **BondFragments");
+    FragmentList = (Graph **) Malloc(sizeof(Graph *)*KeySetCounter, "MoleculeLeafClass::AssignKeySetsToFragment - **FragmentList");
     for(int i=0;i<KeySetCounter;i++)
       FragmentList[i] = NULL;