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  • src/builder.cpp

    r326a43b r46d958  
    451451  mol->Mirror((const Vector *)&n);
    452452};
    453 >>>>>>> MenuRefactoring:molecuilder/src/builder.cpp
    454453
    455454/** Submenu for removing the atoms from the molecule.
     
    14821481                SaveFlag = true;
    14831482                Log() << Verbose(1) << "Adding new atom with element " << argv[argptr] << " at (" << argv[argptr+1] << "," << argv[argptr+2] << "," << argv[argptr+3] << "), ";
    1484                 first = new atom;
     1483                first = World::get()->createAtom();
    14851484                first->type = periode->FindElement(atoi(argv[argptr]));
    14861485                if (first->type != NULL)
     
    16421641//                first->x.Zero();
    16431642//                filler->AddAtom(first);
    1644                 first = new atom();
     1643                first = World::get()->createAtom();
    16451644                first->type = periode->FindElement(1);
    16461645                first->x.Init(0.441, -0.143, 0.);
    16471646                filler->AddAtom(first);
    1648                 second = new atom();
     1647                second = World::get()->createAtom();
    16491648                second->type = periode->FindElement(1);
    16501649                second->x.Init(-0.464, 1.137, 0.0);
    16511650                filler->AddAtom(second);
    1652                 third = new atom();
     1651                third = World::get()->createAtom();
    16531652                third->type = periode->FindElement(8);
    16541653                third->x.Init(-0.464, 0.177, 0.);
     
    20982097                      x.AddVector(&y); // per factor one cell width further
    20992098                      for (int k=count;k--;) { // go through every atom of the original cell
    2100                         first = new atom(); // create a new body
     2099                        first = World::get()->createAtom(); // create a new body
    21012100                        first->x.CopyVector(vectors[k]);  // use coordinate of original atom
    21022101                        first->x.AddVector(&x);      // translate the coordinates
     
    21612160  Action *eraseMoleculeAction = new MethodAction("eraseMoleculeAction",boost::bind(&MoleculeListClass::eraseMolecule,molecules));
    21622161  new ActionMenuItem('r',"remove a molecule",editMoleculesMenu,eraseMoleculeAction);
    2163 
    21642162}
    21652163
     
    22232221      populaters.MakeEditMoleculesMenu = populateEditMoleculesMenu;
    22242222
    2225 #ifdef USE_GUI_QT
    2226       UIFactory::makeUserInterface(UIFactory::QT4);
    2227 #else
    22282223      UIFactory::makeUserInterface(UIFactory::Text);
    2229 #endif
    22302224      MainWindow *mainWindow = UIFactory::get()->makeMainWindow(populaters,World::get()->getMolecules(), configuration, World::get()->getPeriode(), ConfigFileName);
    22312225      mainWindow->display();
    2232 
    22332226      delete mainWindow;
    22342227    }
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