Changes in src/molecule_fragmentation.cpp [cbc5fb:49e1ae]

File:

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

src/molecule_fragmentation.cpp

@@ -8 +8 @@
 #include <cstring>
 
-#include "World.hpp"
 #include "atom.hpp"
 #include "bond.hpp"
@@ -676 +675 @@
   //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(World::get());
+  BondFragments = new MoleculeListClass();
   int k=0;
   for(Graph::iterator runner = TotalGraph.begin(); runner != TotalGraph.end(); runner++) {
@@ -927 +926 @@
 {
   atom **SonList = Calloc<atom*>(AtomCount, "molecule::StoreFragmentFromStack: **SonList");
-  molecule *Leaf = World::get()->createMolecule();
+  molecule *Leaf = new molecule(elemente);
 
 //  Log() << Verbose(1) << "Begin of StoreFragmentFromKeyset." << endl;