Changes in src/builder.cpp [326a43b:46d958]
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src/builder.cpp
r326a43b r46d958 451 451 mol->Mirror((const Vector *)&n); 452 452 }; 453 >>>>>>> MenuRefactoring:molecuilder/src/builder.cpp454 453 455 454 /** Submenu for removing the atoms from the molecule. … … 1482 1481 SaveFlag = true; 1483 1482 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(); 1485 1484 first->type = periode->FindElement(atoi(argv[argptr])); 1486 1485 if (first->type != NULL) … … 1642 1641 // first->x.Zero(); 1643 1642 // filler->AddAtom(first); 1644 first = new atom();1643 first = World::get()->createAtom(); 1645 1644 first->type = periode->FindElement(1); 1646 1645 first->x.Init(0.441, -0.143, 0.); 1647 1646 filler->AddAtom(first); 1648 second = new atom();1647 second = World::get()->createAtom(); 1649 1648 second->type = periode->FindElement(1); 1650 1649 second->x.Init(-0.464, 1.137, 0.0); 1651 1650 filler->AddAtom(second); 1652 third = new atom();1651 third = World::get()->createAtom(); 1653 1652 third->type = periode->FindElement(8); 1654 1653 third->x.Init(-0.464, 0.177, 0.); … … 2098 2097 x.AddVector(&y); // per factor one cell width further 2099 2098 for (int k=count;k--;) { // go through every atom of the original cell 2100 first = new atom(); // create a new body2099 first = World::get()->createAtom(); // create a new body 2101 2100 first->x.CopyVector(vectors[k]); // use coordinate of original atom 2102 2101 first->x.AddVector(&x); // translate the coordinates … … 2161 2160 Action *eraseMoleculeAction = new MethodAction("eraseMoleculeAction",boost::bind(&MoleculeListClass::eraseMolecule,molecules)); 2162 2161 new ActionMenuItem('r',"remove a molecule",editMoleculesMenu,eraseMoleculeAction); 2163 2164 2162 } 2165 2163 … … 2223 2221 populaters.MakeEditMoleculesMenu = populateEditMoleculesMenu; 2224 2222 2225 #ifdef USE_GUI_QT2226 UIFactory::makeUserInterface(UIFactory::QT4);2227 #else2228 2223 UIFactory::makeUserInterface(UIFactory::Text); 2229 #endif2230 2224 MainWindow *mainWindow = UIFactory::get()->makeMainWindow(populaters,World::get()->getMolecules(), configuration, World::get()->getPeriode(), ConfigFileName); 2231 2225 mainWindow->display(); 2232 2233 2226 delete mainWindow; 2234 2227 }
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