Changes in src/molecule_fragmentation.cpp [23b547:cbc5fb]
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src/molecule_fragmentation.cpp
r23b547 rcbc5fb 676 676 //if (FragmentationToDo) { // we should always store the fragments again as coordination might have changed slightly without changing bond structure 677 677 // allocate memory for the pointer array and transmorph graphs into full molecular fragments 678 BondFragments = new MoleculeListClass(World::get Pointer());678 BondFragments = new MoleculeListClass(World::get()); 679 679 int k=0; 680 680 for(Graph::iterator runner = TotalGraph.begin(); runner != TotalGraph.end(); runner++) { … … 927 927 { 928 928 atom **SonList = Calloc<atom*>(AtomCount, "molecule::StoreFragmentFromStack: **SonList"); 929 molecule *Leaf = World::get Instance().createMolecule();929 molecule *Leaf = World::get()->createMolecule(); 930 930 931 931 // Log() << Verbose(1) << "Begin of StoreFragmentFromKeyset." << endl;
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