Changes in src/builder.cpp [6a661c:e73a8a2]

File:

• src/builder.cpp (modified) (13 diffs)

src/builder.cpp

@@ -451 +451 @@
   mol->Mirror((const Vector *)&n);
 };
->>>>>>> MenuRefactoring:molecuilder/src/builder.cpp
 
 /** Submenu for removing the atoms from the molecule.
@@ -1433 +1432 @@
      }
      if (mol == NULL) {
-       mol = World::get()->createMolecule();
+       mol = World::getInstance().createMolecule();
        mol->ActiveFlag = true;
        if (ConfigFileName != NULL)
@@ -1482 +1481 @@
                 SaveFlag = true;
                 Log() << Verbose(1) << "Adding new atom with element " << argv[argptr] << " at (" << argv[argptr+1] << "," << argv[argptr+2] << "," << argv[argptr+3] << "), ";
-                first = World::get()->createAtom();
+                first = World::getInstance().createAtom();
                 first->type = periode->FindElement(atoi(argv[argptr]));
                 if (first->type != NULL)
@@ -1635 +1634 @@
                 Log() << Verbose(1) << "Filling Box with water molecules." << endl;
                 // construct water molecule
-                molecule *filler = World::get()->createMolecule();
+                molecule *filler = World::getInstance().createMolecule();
                 molecule *Filling = NULL;
                 atom *second = NULL, *third = NULL;
@@ -1642 +1641 @@
 //                first->x.Zero();
 //                filler->AddAtom(first);
-                first = World::get()->createAtom();
+                first = World::getInstance().createAtom();
                 first->type = periode->FindElement(1);
                 first->x.Init(0.441, -0.143, 0.);
                 filler->AddAtom(first);
-                second = World::get()->createAtom();
+                second = World::getInstance().createAtom();
                 second->type = periode->FindElement(1);
                 second->x.Init(-0.464, 1.137, 0.0);
                 filler->AddAtom(second);
-                third = World::get()->createAtom();
+                third = World::getInstance().createAtom();
                 third->type = periode->FindElement(8);
                 third->x.Init(-0.464, 0.177, 0.);
@@ -1665 +1664 @@
                   molecules->insert(Filling);
                 }
-                World::get()->destroyMolecule(filler);
+                World::getInstance().destroyMolecule(filler);
                 argptr+=6;
               }
@@ -2098 +2097 @@
                       x.AddVector(&y); // per factor one cell width further
                       for (int k=count;k--;) { // go through every atom of the original cell
-                        first = World::get()->createAtom(); // create a new body
+                        first = World::getInstance().createAtom(); // create a new body
                         first->x.CopyVector(vectors[k]);  // use coordinate of original atom
                         first->x.AddVector(&x);      // translate the coordinates
@@ -2169 +2168 @@
 void cleanUp(config *configuration){
   UIFactory::purgeInstance();
-  World::destroy();
+  World::purgeInstance();
   delete(configuration);
   Log() << Verbose(0) <<  "Maximum of allocated memory: "
@@ -2178 +2177 @@
   logger::purgeInstance();
   errorLogger::purgeInstance();
-  ActionRegistry::purgeRegistry();
+  ActionRegistry::purgeInstance();
 }
 
@@ -2193 +2192 @@
     setVerbosity(0);
     /* structure of ParseCommandLineOptions will be refactored later */
-    j = ParseCommandLineOptions(argc, argv,  World::get()->getMolecules(), World::get()->getPeriode(), *configuration, ConfigFileName);
+    j = ParseCommandLineOptions(argc, argv,  World::getInstance().getMolecules(), World::getInstance().getPeriode(), *configuration, ConfigFileName);
     switch (j){
         case 255:
@@ -2203 +2202 @@
             break;
     }
-    if(World::get()->numMolecules() == 0){
-        mol = World::get()->createMolecule();
-        World::get()->getMolecules()->insert(mol);
+    if(World::getInstance().numMolecules() == 0){
+        mol = World::getInstance().createMolecule();
+        World::getInstance().getMolecules()->insert(mol);
+        cout << "Molecule created" << endl;
         if(mol->cell_size[0] == 0.){
             Log() << Verbose(0) << "enter lower tridiagonal form of basis matrix" << endl << endl;
@@ -2217 +2217 @@
 
     {
+      cout << ESPACKVersion << endl;
+
       setVerbosity(0);
 
@@ -2222 +2224 @@
       populaters.MakeEditMoleculesMenu = populateEditMoleculesMenu;
 
-#ifdef USE_GUI_QT
-      UIFactory::makeUserInterface(UIFactory::QT4);
-#else
-      cout << ESPACKVersion << endl;
       UIFactory::makeUserInterface(UIFactory::Text);
-#endif
-      MainWindow *mainWindow = UIFactory::get()->makeMainWindow(populaters,World::get()->getMolecules(), configuration, World::get()->getPeriode(), ConfigFileName);
+      MainWindow *mainWindow = UIFactory::getInstance().makeMainWindow(populaters,World::getInstance().getMolecules(), configuration, World::getInstance().getPeriode(), ConfigFileName);
       mainWindow->display();
-
       delete mainWindow;
     }
 
-    if(World::get()->getPeriode()->StorePeriodentafel(configuration->databasepath))
+    if(World::getInstance().getPeriode()->StorePeriodentafel(configuration->databasepath))
         Log() << Verbose(0) << "Saving of elements.db successful." << endl;