Changeset 4c60ef for molecuilder/src/builder.cpp
- Timestamp:
- Mar 10, 2010, 5:51:48 PM (16 years ago)
- Children:
- 4fc41a
- Parents:
- 025ca2
- File:
-
- 1 edited
-
molecuilder/src/builder.cpp (modified) (10 diffs)
Legend:
- Unmodified
- Added
- Removed
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molecuilder/src/builder.cpp
r025ca2 r4c60ef 1432 1432 } 1433 1433 if (mol == NULL) { 1434 mol = World::get ()->createMolecule();1434 mol = World::getInstance().createMolecule(); 1435 1435 mol->ActiveFlag = true; 1436 1436 if (ConfigFileName != NULL) … … 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 = World::getInstance().createAtom(); 1484 1484 first->type = periode->FindElement(atoi(argv[argptr])); 1485 1485 if (first->type != NULL) … … 1634 1634 Log() << Verbose(1) << "Filling Box with water molecules." << endl; 1635 1635 // construct water molecule 1636 molecule *filler = World::get ()->createMolecule();1636 molecule *filler = World::getInstance().createMolecule(); 1637 1637 molecule *Filling = NULL; 1638 1638 atom *second = NULL, *third = NULL; … … 1641 1641 // first->x.Zero(); 1642 1642 // filler->AddAtom(first); 1643 first = World::get ()->createAtom();1643 first = World::getInstance().createAtom(); 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 = World::getInstance().createAtom(); 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 = World::getInstance().createAtom(); 1652 1652 third->type = periode->FindElement(8); 1653 1653 third->x.Init(-0.464, 0.177, 0.); … … 1664 1664 molecules->insert(Filling); 1665 1665 } 1666 World::get ()->destroyMolecule(filler);1666 World::getInstance().destroyMolecule(filler); 1667 1667 argptr+=6; 1668 1668 } … … 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 = World::getInstance().createAtom(); // 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 … … 2168 2168 void cleanUp(config *configuration){ 2169 2169 UIFactory::purgeInstance(); 2170 World:: destroy();2170 World::purgeInstance(); 2171 2171 delete(configuration); 2172 2172 Log() << Verbose(0) << "Maximum of allocated memory: " … … 2192 2192 setVerbosity(0); 2193 2193 /* structure of ParseCommandLineOptions will be refactored later */ 2194 j = ParseCommandLineOptions(argc, argv, World::get ()->getMolecules(), World::get()->getPeriode(), *configuration, ConfigFileName);2194 j = ParseCommandLineOptions(argc, argv, World::getInstance().getMolecules(), World::getInstance().getPeriode(), *configuration, ConfigFileName); 2195 2195 switch (j){ 2196 2196 case 255: … … 2202 2202 break; 2203 2203 } 2204 if(World::get ()->numMolecules() == 0){2205 mol = World::get ()->createMolecule();2206 World::get ()->getMolecules()->insert(mol);2204 if(World::getInstance().numMolecules() == 0){ 2205 mol = World::getInstance().createMolecule(); 2206 World::getInstance().getMolecules()->insert(mol); 2207 2207 cout << "Molecule created" << endl; 2208 2208 if(mol->cell_size[0] == 0.){ … … 2225 2225 2226 2226 UIFactory::makeUserInterface(UIFactory::Text); 2227 MainWindow *mainWindow = UIFactory::get()->makeMainWindow(populaters,World::get ()->getMolecules(), configuration, World::get()->getPeriode(), ConfigFileName);2227 MainWindow *mainWindow = UIFactory::get()->makeMainWindow(populaters,World::getInstance().getMolecules(), configuration, World::getInstance().getPeriode(), ConfigFileName); 2228 2228 mainWindow->display(); 2229 2229 delete mainWindow; 2230 2230 } 2231 2231 2232 if(World::get ()->getPeriode()->StorePeriodentafel(configuration->databasepath))2232 if(World::getInstance().getPeriode()->StorePeriodentafel(configuration->databasepath)) 2233 2233 Log() << Verbose(0) << "Saving of elements.db successful." << endl; 2234 2234
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