Changes in src/builder.cpp [46d958:aac3ef]
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src/builder.cpp
r46d958 raac3ef 66 66 #include "linkedcell.hpp" 67 67 #include "log.hpp" 68 #include "memoryusageobserver unittest.hpp"68 #include "memoryusageobserver.hpp" 69 69 #include "molecule.hpp" 70 70 #include "periodentafel.hpp" … … 1481 1481 SaveFlag = true; 1482 1482 Log() << Verbose(1) << "Adding new atom with element " << argv[argptr] << " at (" << argv[argptr+1] << "," << argv[argptr+2] << "," << argv[argptr+3] << "), "; 1483 first = World::get()->createAtom();1483 first = new atom; 1484 1484 first->type = periode->FindElement(atoi(argv[argptr])); 1485 1485 if (first->type != NULL) … … 1641 1641 // first->x.Zero(); 1642 1642 // filler->AddAtom(first); 1643 first = World::get()->createAtom();1643 first = new atom(); 1644 1644 first->type = periode->FindElement(1); 1645 1645 first->x.Init(0.441, -0.143, 0.); 1646 1646 filler->AddAtom(first); 1647 second = World::get()->createAtom();1647 second = new atom(); 1648 1648 second->type = periode->FindElement(1); 1649 1649 second->x.Init(-0.464, 1.137, 0.0); 1650 1650 filler->AddAtom(second); 1651 third = World::get()->createAtom();1651 third = new atom(); 1652 1652 third->type = periode->FindElement(8); 1653 1653 third->x.Init(-0.464, 0.177, 0.); … … 2097 2097 x.AddVector(&y); // per factor one cell width further 2098 2098 for (int k=count;k--;) { // go through every atom of the original cell 2099 first = World::get()->createAtom(); // create a new body2099 first = new atom(); // create a new body 2100 2100 first->x.CopyVector(vectors[k]); // use coordinate of original atom 2101 2101 first->x.AddVector(&x); // translate the coordinates … … 2160 2160 Action *eraseMoleculeAction = new MethodAction("eraseMoleculeAction",boost::bind(&MoleculeListClass::eraseMolecule,molecules)); 2161 2161 new ActionMenuItem('r',"remove a molecule",editMoleculesMenu,eraseMoleculeAction); 2162 2162 2163 } 2163 2164
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