Changes in src/builder.cpp [aac3ef:d56640]

File:

• src/builder.cpp (modified) (15 diffs)

src/builder.cpp

@@ -74 +74 @@
 #include "Menu/ActionMenuItem.hpp"
 #include "Actions/ActionRegistry.hpp"
+#include "Actions/ActionHistory.hpp"
 #include "Actions/MethodAction.hpp"
 #include "Actions/small_actions.hpp"
@@ -1432 +1433 @@
      }
      if (mol == NULL) {
-       mol = new molecule(periode);
+       mol = World::getInstance().createMolecule();
        mol->ActiveFlag = true;
        if (ConfigFileName != NULL)
@@ -1481 +1482 @@
                 SaveFlag = true;
                 Log() << Verbose(1) << "Adding new atom with element " << argv[argptr] << " at (" << argv[argptr+1] << "," << argv[argptr+2] << "," << argv[argptr+3] << "), ";
-                first = new atom;
+                first = World::getInstance().createAtom();
                 first->type = periode->FindElement(atoi(argv[argptr]));
                 if (first->type != NULL)
@@ -1593 +1594 @@
                 }
                 LCList = new LinkedCell(Boundary, 2.*radius);
-                element *elemental = periode->FindElement((const int) atoi(argv[argptr]));
+                const element *elemental = periode->FindElement((atomicNumber_t) atoi(argv[argptr]));
                 FindNonConvexBorder(Boundary, TesselStruct, LCList, radius, NULL);
                 int ranges[NDIM] = {1,1,1};
@@ -1634 +1635 @@
                 Log() << Verbose(1) << "Filling Box with water molecules." << endl;
                 // construct water molecule
-                molecule *filler = new molecule(periode);
+                molecule *filler = World::getInstance().createMolecule();
                 molecule *Filling = NULL;
                 atom *second = NULL, *third = NULL;
@@ -1641 +1642 @@
 //                first->x.Zero();
 //                filler->AddAtom(first);
-                first = new atom();
+                first = World::getInstance().createAtom();
                 first->type = periode->FindElement(1);
                 first->x.Init(0.441, -0.143, 0.);
                 filler->AddAtom(first);
-                second = new atom();
+                second = World::getInstance().createAtom();
                 second->type = periode->FindElement(1);
                 second->x.Init(-0.464, 1.137, 0.0);
                 filler->AddAtom(second);
-                third = new atom();
+                third = World::getInstance().createAtom();
                 third->type = periode->FindElement(8);
                 third->x.Init(-0.464, 0.177, 0.);
@@ -1664 +1665 @@
                   molecules->insert(Filling);
                 }
-                delete(filler);
+                World::getInstance().destroyMolecule(filler);
                 argptr+=6;
               }
@@ -2070 +2071 @@
                   int faktor = atoi(argv[argptr++]);
                   int count;
-                  element ** Elements;
+                  const element ** Elements;
                   Vector ** vectors;
                   if (faktor < 1) {
-                    eLog() << Verbose(1) << "Repetition factor mus be greater than 1!" << endl;
+                    eLog() << Verbose(1) << "Repetition factor must be greater than 1!" << endl;
                     faktor = 1;
                   }
@@ -2079 +2080 @@
                   if (mol->AtomCount != 0) {  // if there is more than none
                     count = mol->AtomCount;   // is changed becausing of adding, thus has to be stored away beforehand
-                    Elements = new element *[count];
+                    Elements = new const element *[count];
                     vectors = new Vector *[count];
                     j = 0;
@@ -2097 +2098 @@
                       x.AddVector(&y); // per factor one cell width further
                       for (int k=count;k--;) { // go through every atom of the original cell
-                        first = new atom(); // 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
@@ -2168 +2169 @@
 void cleanUp(config *configuration){
   UIFactory::purgeInstance();
-  World::destroy();
+  World::purgeInstance();
   delete(configuration);
   Log() << Verbose(0) <<  "Maximum of allocated memory: "
@@ -2177 +2178 @@
   logger::purgeInstance();
   errorLogger::purgeInstance();
-  ActionRegistry::purgeRegistry();
+  ActionRegistry::purgeInstance();
 }
 
@@ -2190 +2191 @@
     char *ConfigFileName = NULL;
     int j;
+
     setVerbosity(0);
+    // need to init the history before any action is created
+    ActionHistory::init();
     /* 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:
@@ -2202 +2206 @@
             break;
     }
-    if(World::get()->numMolecules() == 0){
-        mol = World::get()->createMolecule();
+    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;
@@ -2223 +2229 @@
 
       UIFactory::makeUserInterface(UIFactory::Text);
-      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;