Changeset 8d9d38 for molecuilder/src/molecule_fragmentation.cpp

Timestamp:

Feb 25, 2010, 4:43:02 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

3db67e

Parents:

2e6496

Message:

Made the world solely responsible for creating and erasing molecules.

File:

• molecuilder/src/molecule_fragmentation.cpp (modified) (3 diffs)

molecuilder/src/molecule_fragmentation.cpp

@@ -8 +8 @@
 #include <cstring>
 
+#include "World.hpp"
 #include "atom.hpp"
 #include "bond.hpp"
@@ -675 +676 @@
   //if (FragmentationToDo) {    // we should always store the fragments again as coordination might have changed slightly without changing bond structure
   // allocate memory for the pointer array and transmorph graphs into full molecular fragments
-  BondFragments = new MoleculeListClass();
+  BondFragments = new MoleculeListClass(World::get());
   int k=0;
   for(Graph::iterator runner = TotalGraph.begin(); runner != TotalGraph.end(); runner++) {
@@ -926 +927 @@
 {
   atom **SonList = Calloc<atom*>(AtomCount, "molecule::StoreFragmentFromStack: **SonList");
-  molecule *Leaf = new molecule(elemente);
+  molecule *Leaf = World::get()->createMolecule();
 
 //  Log() << Verbose(1) << "Begin of StoreFragmentFromKeyset." << endl;