Changes in / [cd032d:a77c96]

Location:

src

Files:

• Actions/Action.cpp (modified) (1 diff)
• Actions/ActionRegistry.cpp (modified) (3 diffs)
• Actions/ActionRegistry.hpp (modified) (2 diffs)
• Actions/AtomsCalculation_impl.hpp (modified) (1 diff)
• Actions/ManipulateAtomsProcess.cpp (modified) (1 diff)
• Actions/small_actions.cpp (modified) (1 diff)
• Descriptors/AtomDescriptor.cpp (modified) (1 diff)
• Descriptors/AtomTypeDescriptor.cpp (modified) (1 diff)
• Descriptors/MoleculeDescriptor.cpp (modified) (1 diff)
• Legacy/oldmenu.cpp (modified) (10 diffs)
• Makefile.am (modified) (1 diff)
• Patterns/Singleton.hpp (deleted)
• Patterns/Singleton_impl.hpp (deleted)
• UIElements/QT4/QTDialog.cpp (modified) (2 diffs)
• UIElements/TextDialog.cpp (modified) (1 diff)
• UIElements/UIFactory.cpp (modified) (4 diffs)
• UIElements/UIFactory.hpp (modified) (4 diffs)
• Views/QT4/QTStatusBar.cpp (modified) (4 diffs)
• World.cpp (modified) (3 diffs)
• World.hpp (modified) (7 diffs)
• WorldIterators.cpp (modified) (2 diffs)
• atom.cpp (modified) (1 diff)
• atom_atominfo.cpp (modified) (1 diff)
• boundary.cpp (modified) (1 diff)
• builder.cpp (modified) (12 diffs)
• config.cpp (modified) (7 diffs)
• errorlogger.cpp (modified) (3 diffs)
• errorlogger.hpp (modified) (2 diffs)
• log.cpp (modified) (3 diffs)
• logger.cpp (modified) (3 diffs)
• logger.hpp (modified) (2 diffs)
• molecule.cpp (modified) (6 diffs)
• molecule_dynamics.cpp (modified) (2 diffs)
• molecule_fragmentation.cpp (modified) (2 diffs)
• moleculelist.cpp (modified) (8 diffs)
• unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) (3 diffs)
• unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) (4 diffs)
• unittests/AnalysisPairCorrelationUnitTest.cpp (modified) (3 diffs)
• unittests/AtomDescriptorTest.cpp (modified) (10 diffs)
• unittests/Makefile.am (modified) (3 diffs)
• unittests/MoleculeDescriptorTest.cpp (modified) (10 diffs)
• unittests/SingletonTest.cpp (deleted)
• unittests/SingletonTest.hpp (deleted)
• unittests/analysisbondsunittest.cpp (modified) (2 diffs)
• unittests/atomsCalculationTest.cpp (modified) (4 diffs)
• unittests/bondgraphunittest.cpp (modified) (2 diffs)
• unittests/listofbondsunittest.cpp (modified) (3 diffs)
• unittests/logunittest.cpp (modified) (1 diff)
• unittests/manipulateAtomsTest.cpp (modified) (6 diffs)

src/Actions/Action.cpp

@@ -17 +17 @@
 {
   if(_doRegister){
-    ActionRegistry::getInstance().registerAction(this);
+    ActionRegistry::getRegistry()->registerAction(this);
   }
 }

src/Actions/ActionRegistry.cpp

@@ -9 +9 @@
 #include "Actions/Action.hpp"
 
-#include "Patterns/Singleton_impl.hpp"
-
 #include <string>
 #include <cassert>
@@ -16 +14 @@
 
 using namespace std;
+
+ActionRegistry *ActionRegistry::theInstance=0;
 
 ActionRegistry::ActionRegistry()
@@ -43 +43 @@
 }
 
-CONSTRUCT_SINGLETON(ActionRegistry)
+// singleton stuff
+ActionRegistry* ActionRegistry::getRegistry(){
+  if(!theInstance){
+    theInstance = new ActionRegistry();
+  }
+  return theInstance;
+}
+
+void ActionRegistry::purgeRegistry(){
+  if(theInstance){
+    delete theInstance;
+    theInstance = 0;
+  }
+}

src/Actions/ActionRegistry.hpp

@@ -12 +12 @@
 #include <map>
 
-#include "Patterns/Singleton.hpp"
-
 class Action;
 
-class ActionRegistry : public Singleton<ActionRegistry>
+class ActionRegistry
 {
-  friend class Singleton<ActionRegistry>;
 public:
   Action* getActionByName(const std::string);
@@ -26 +23 @@
   std::map<const std::string,Action*> actionMap;
 
+// singleton stuff
+public:
+  static ActionRegistry* getRegistry();
+  static void purgeRegistry();
 private:
   ActionRegistry();
   virtual ~ActionRegistry();
+  static ActionRegistry *theInstance;
 };
 

src/Actions/AtomsCalculation_impl.hpp

@@ -29 +29 @@
 template<typename T>
 std::vector<T>* AtomsCalculation<T>::doCalc(){
-  World* world = World::getPointer();
+  World* world = World::get();
   int steps = world->numAtoms();
+  int count = 0;
   std::vector<T> *res = new std::vector<T>();
   res->reserve(steps);

src/Actions/ManipulateAtomsProcess.cpp

@@ -23 +23 @@
 
 void ManipulateAtomsProcess::call(){
-  World::getInstance().doManipulate(this);
+  World::get()->doManipulate(this);
 }
 

src/Actions/small_actions.cpp

@@ -27 +27 @@
   string filename;
   molecule *mol = NULL;
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
+  Dialog *dialog = UIFactory::get()->makeDialog();
 
   dialog->queryMolecule("Enter index of molecule: ",&mol,molecules);

src/Descriptors/AtomDescriptor.cpp

@@ -68 +68 @@
 
 World::AtomSet& AtomDescriptor_impl::getAtoms(){
-  return World::getInstance().atoms;
+  return World::get()->atoms;
 }
 

src/Descriptors/AtomTypeDescriptor.cpp

@@ -29 +29 @@
 
 AtomDescriptor AtomByType(int Z){
-  element * elem = World::getInstance().getPeriode()->FindElement(Z);
+  element * elem = World::get()->getPeriode()->FindElement(Z);
   return AtomByType(elem);
 }

src/Descriptors/MoleculeDescriptor.cpp

@@ -68 +68 @@
 
 World::MoleculeSet& MoleculeDescriptor_impl::getMolecules(){
-  return World::getInstance().molecules;
+  return World::get()->molecules;
 }
 

src/Legacy/oldmenu.cpp

@@ -78 +78 @@
       case 'a': // absolute coordinates of atom
         Log() << Verbose(0) << "Enter absolute coordinates." << endl;
-        first = World::getInstance().createAtom();
+        first = World::get()->createAtom();
         first->x.AskPosition(mol->cell_size, false);
         first->type = periode->AskElement();  // give type
@@ -85 +85 @@
 
       case 'b': // relative coordinates of atom wrt to reference point
-        first = World::getInstance().createAtom();
+        first = World::get()->createAtom();
         valid = true;
         do {
@@ -101 +101 @@
 
       case 'c': // relative coordinates of atom wrt to already placed atom
-        first = World::getInstance().createAtom();
+        first = World::get()->createAtom();
         valid = true;
         do {
@@ -117 +117 @@
 
     case 'd': // two atoms, two angles and a distance
-        first = World::getInstance().createAtom();
+        first = World::get()->createAtom();
         valid = true;
         do {
@@ -217 +217 @@
 
       case 'e': // least square distance position to a set of atoms
-        first = World::getInstance().createAtom();
+        first = World::get()->createAtom();
         atoms = new (Vector*[128]);
         valid = true;
@@ -239 +239 @@
           mol->AddAtom(first);  // add to molecule
         } else {
-          World::getInstance().destroyAtom(first);
+          World::get()->destroyAtom(first);
           Log() << Verbose(0) << "Please enter at least two vectors!\n";
         }
@@ -782 +782 @@
         x.AddVector(&y); // per factor one cell width further
         for (int k=count;k--;) { // go through every atom of the original cell
-          first = World::getInstance().createAtom(); // create a new body
+          first = World::get()->createAtom(); // create a new body
           first->x.CopyVector(vectors[k]);  // use coordinate of original atom
           first->x.AddVector(&x);     // translate the coordinates
@@ -912 +912 @@
 void oldmenu::SimpleAddMolecules(MoleculeListClass *molecules) {
   molecule *srcmol = NULL, *destmol = NULL;
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
+  Dialog *dialog = UIFactory::get()->makeDialog();
   dialog->queryMolecule("Enter index of destination molecule: ",&destmol, molecules);
   dialog->queryMolecule("Enter index of source molecule to add from: ",&srcmol, molecules);
@@ -926 +926 @@
 void oldmenu::embeddMolecules(MoleculeListClass *molecules) {
   molecule *srcmol = NULL, *destmol = NULL;
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
+  Dialog *dialog = UIFactory::get()->makeDialog();
   dialog->queryMolecule("Enter index of matrix molecule (the variable one): ",&srcmol,molecules);
   dialog->queryMolecule("Enter index of molecule to merge into (the fixed one): ",&destmol,molecules);
@@ -1089 +1089 @@
     A++;
   }
-  World::getInstance().destroyMolecule(mol);
+  World::get()->destroyMolecule(mol);
 };
 

src/Makefile.am

@@ -18 +18 @@
 
 PATTERNSOURCE = Patterns/Observer.cpp
-PATTERNHEADER = Patterns/Cacheable.hpp \
-                                Patterns/Observer.hpp \
-                Patterns/Singleton.hpp
+PATTERNHEADER = Patterns/Observer.hpp Patterns/Cacheable.hpp
 
 VIEWSOURCE = Views/View.cpp Views/StringView.cpp Views/MethodStringView.cpp Views/StreamStringView.cpp

src/UIElements/QT4/QTDialog.cpp

@@ -266 +266 @@
     parent(_parent)
 {
-  periodentafel *periode = World::getInstance().getPeriode();
+  periodentafel *periode = World::get()->getPeriode();
   thisLayout = new QHBoxLayout();
   titleLabel = new QLabel(QString(getTitle().c_str()));
@@ -367 +367 @@
   QVariant data = theBox->itemData(newIndex);
   int idx = data.toInt();
-  (*content) = World::getInstance().getPeriode()->FindElement(idx);
-  dialog->update();
-}
-
+  (*content) = World::get()->getPeriode()->FindElement(idx);
+  dialog->update();
+}
+

src/UIElements/TextDialog.cpp

@@ -136 +136 @@
   Log() << Verbose(0) << getTitle();
   cin >> Z;
-  tmp = World::getInstance().getPeriode()->FindElement(Z);
+  tmp = World::get()->getPeriode()->FindElement(Z);
   return tmp;
 }

src/UIElements/UIFactory.cpp

@@ -8 +8 @@
 
 #include <cassert>
-#include "Patterns/Singleton_impl.hpp"
 #include "UIElements/UIFactory.hpp"
 
@@ -16 +15 @@
 #include "UIElements/QT4/QTUIFactory.hpp"
 #endif
+
+UIFactory *UIFactory::theFactory = 0;
 
 UIFactory::UIFactory()
@@ -29 +30 @@
 
 void UIFactory::makeUserInterface(InterfaceTypes type) {
+  assert(theFactory == 0 && "makeUserInterface should only be called once");
   switch(type) {
     case Text :
-      setInstance(new TextUIFactory());
+      theFactory = new TextUIFactory();
       break;
 #ifdef USE_GUI_QT
     case QT4 :
-      setInstance(new QTUIFactory());
+      theFactory = new QTUIFactory();
       break;
 #endif
@@ -44 +46 @@
 }
 
-CONSTRUCT_SINGLETON(UIFactory)
+UIFactory* UIFactory::get(){
+  assert(theFactory != 0 && "No UserInterface created prior to factory access");
+  return theFactory;
+}
+
+
+void UIFactory::purgeInstance(){
+  if(theFactory) {
+    delete theFactory;
+    theFactory = 0;
+  }
+}

src/UIElements/UIFactory.hpp

@@ -17 +17 @@
 
 struct menuPopulaters;
-
-#include "Patterns/Singleton.hpp"
-
 /**
  * Abstract Factory to create any kind of User interface object needed by the programm.
@@ -27 +24 @@
  * UIs can be handled in a concise abstract way.
  */
-class UIFactory : public Singleton<UIFactory,false>
+class UIFactory
 {
 
@@ -53 +50 @@
   UIFactory();
 
+// singleton stuff
+private:
+  static UIFactory *theFactory;
+
 public:
   /**
@@ -59 +60 @@
   static void makeUserInterface(InterfaceTypes type);
 
+  /**
+   * get the previously created factory
+   */
+  static UIFactory* get();
+
+  /**
+   * Destroy the created factory.
+   *
+   * Make sure that all UIElements that were created by the factory are destroyed before calling this method.
+   */
+  static void purgeInstance();
 };
 

src/Views/QT4/QTStatusBar.cpp

@@ -21 +21 @@
   QStatusBar(_parent),
   parent(_parent),
-  atomCount(World::getInstance().numAtoms()),
-  moleculeCount(World::getInstance().numMolecules())
+  atomCount(World::get()->numAtoms()),
+  moleculeCount(World::get()->numMolecules())
 {
-  World::getInstance().signOn(this);
+  World::get()->signOn(this);
   Process::AddObserver(this);
   statusLabel = new QLabel(this);
@@ -35 +35 @@
 {
   Process::RemoveObserver(this);
-  World::getInstance().signOff(this);
+  World::get()->signOff(this);
 }
 
 void QTStatusBar::update(Observable *subject){
-  if (subject==World::getPointer()){
-    atomCount = World::getInstance().numAtoms();
-    moleculeCount = World::getInstance().numMolecules();
+  if (subject==World::get()){
+    atomCount = World::get()->numAtoms();
+    moleculeCount = World::get()->numMolecules();
     redrawStatus();
   }
@@ -47 +47 @@
     // we probably have some process
     Process *proc;
-    if((proc=dynamic_cast<Process*>(subject))){
+    if(proc=dynamic_cast<Process*>(subject)){
       redrawProcess(proc);
     }
@@ -55 +55 @@
 void QTStatusBar::subjectKilled(Observable *subject){
   // Processes don't notify when they are killed
-  atomCount = World::getInstance().numAtoms();
-  moleculeCount = World::getInstance().numMolecules();
-  World::getInstance().signOn(this);
+  atomCount = World::get()->numAtoms();
+  moleculeCount = World::get()->numMolecules();
+  World::get()->signOn(this);
   redrawStatus();
 }

src/World.cpp

@@ -16 +16 @@
 #include "Descriptors/MoleculeDescriptor_impl.hpp"
 #include "Actions/ManipulateAtomsProcess.hpp"
-
-#include "Patterns/Singleton_impl.hpp"
 
 using namespace std;
@@ -231 +229 @@
 /******************************* Singleton Stuff **************************/
 
+// TODO: Hide boost-thread using Autotools stuff when no threads are used
+World* World::theWorld = 0;
+boost::mutex World::worldLock;
+
 World::World() :
     periode(new periodentafel),
@@ -259 +261 @@
 }
 
-// Explicit instantiation of the singleton mechanism at this point
-
-CONSTRUCT_SINGLETON(World)
+World* World::get(){
+  // boost supports RAII-Style locking, so we don't need to unlock
+  boost::mutex::scoped_lock guard(worldLock);
+  if(!theWorld) {
+    theWorld = new World();
+  }
+  return theWorld;
+}
+
+void World::destroy(){
+  // boost supports RAII-Style locking, so we don't need to unlock
+  boost::mutex::scoped_lock guard(worldLock);
+  delete theWorld;
+  theWorld = 0;
+}
+
+World* World::reset(){
+  World* oldWorld = 0;
+  {
+    // boost supports RAII-Style locking, so we don't need to unlock
+    boost::mutex::scoped_lock guard(worldLock);
+
+    oldWorld = theWorld;
+    theWorld = new World();
+    // oldworld does not need protection any more,
+    // since we should have the only reference
+
+    // worldLock handles access to the pointer,
+    // not to the object
+  } // scope-end releases the lock
+
+  // we have to let all the observers know that the
+  // oldWorld was destroyed. oldWorld calls subjectKilled
+  // upon destruction. Every Observer getting that signal
+  // should see that it gets the updated new world
+  delete oldWorld;
+  return theWorld;
+}
 
 /******************************* deprecated Legacy Stuff ***********************/

src/World.hpp

@@ -19 +19 @@
 #include "Patterns/Observer.hpp"
 #include "Patterns/Cacheable.hpp"
-#include "Patterns/Singleton.hpp"
-
 
 // forward declarations
@@ -35 +33 @@
 class AtomsCalculation;
 
-
-
-class World : public Singleton<World>, public Observable
+class World : public Observable
 {
-
-// Make access to constructor and destructor possible from inside the singleton
-friend class Singleton<World>;
-
 // necessary for coupling with descriptors
 friend class AtomDescriptor_impl;
@@ -53 +45 @@
 template<typename> friend class AtomsCalculation;
 public:
-
-  // Types for Atom and Molecule structures
   typedef std::map<atomId_t,atom*> AtomSet;
   typedef std::map<moleculeId_t,molecule*> MoleculeSet;
@@ -161 +151 @@
   // Atoms
 
-  class AtomIterator :
-    public std::iterator<std::iterator_traits<AtomSet::iterator>::difference_type,
-                         std::iterator_traits<AtomSet::iterator>::value_type,
-                         std::iterator_traits<AtomSet::iterator>::pointer,
-                         std::iterator_traits<AtomSet::iterator>::reference>
-  {
+  class AtomIterator {
   public:
-
-    typedef AtomSet::iterator _Iter;
-    typedef _Iter::value_type value_type;
-    typedef _Iter::difference_type difference_type;
-    typedef _Iter::pointer pointer;
-    typedef _Iter::reference reference;
-    typedef _Iter::iterator_category iterator_category;
-
-
     AtomIterator();
     AtomIterator(AtomDescriptor, World*);
@@ -215 +191 @@
   // Molecules
 
-  class MoleculeIterator :
-    public std::iterator<std::iterator_traits<MoleculeSet::iterator>::difference_type,
-                         std::iterator_traits<MoleculeSet::iterator>::value_type,
-                         std::iterator_traits<MoleculeSet::iterator>::pointer,
-                         std::iterator_traits<MoleculeSet::iterator>::reference>
-  {
+  class MoleculeIterator {
   public:
-
-    typedef MoleculeSet::iterator _Iter;
-    typedef _Iter::value_type value_type;
-    typedef _Iter::difference_type difference_type;
-    typedef _Iter::pointer pointer;
-    typedef _Iter::reference reference;
-    typedef _Iter::iterator_category iterator_category;
-
     MoleculeIterator();
     MoleculeIterator(MoleculeDescriptor, World*);
@@ -282 +245 @@
   MoleculeSet molecules;
   moleculeId_t currMoleculeId;
+
+
+  /***** singleton Stuff *****/
+public:
+
+  /**
+   * get the currently active instance of the World.
+   */
+  static World* get();
+
+  /**
+   * destroy the currently active instance of the World.
+   */
+  static void destroy();
+
+  /**
+   * destroy the currently active instance of the World and immidiately
+   * create a new one. Use this to reset while somebody is still Observing
+   * the world and should reset the observed instance. All observers will be
+   * sent the subjectKille() message from the old world.
+   */
+  static World* reset();
+
 private:
   /**
@@ -294 +280 @@
    */
   virtual ~World();
+
+  static World *theWorld;
+  // this mutex only saves the singleton pattern...
+  // use other mutexes to protect internal data as well
+  // this mutex handles access to the pointer, not to the object!!!
+  static boost::mutex worldLock;
 
   /*****

src/WorldIterators.cpp

@@ -17 +17 @@
 
 World::AtomIterator::AtomIterator(){
-  state = World::getInstance().atomEnd();
+  state = World::get()->atomEnd();
 }
 
@@ -95 +95 @@
 
 World::MoleculeIterator::MoleculeIterator(){
-  state = World::getInstance().moleculeEnd();
+  state = World::get()->moleculeEnd();
 }
 

src/atom.cpp

@@ -50 +50 @@
   res->FixedIon = FixedIon;
   res->node = &x;
-  World::getInstance().registerAtom(res);
+  World::get()->registerAtom(res);
   return res;
 }

src/atom_atominfo.cpp

@@ -29 +29 @@
 
 void AtomInfo::setType(int Z) {
-  element *elem = World::getInstance().getPeriode()->FindElement(Z);
+  element *elem = World::get()->getPeriode()->FindElement(Z);
   setType(elem);
 }

src/boundary.cpp

@@ -801 +801 @@
 {
         Info FunctionInfo(__func__);
-  molecule *Filling = World::getInstance().createMolecule();
+  molecule *Filling = World::get()->createMolecule();
   Vector CurrentPosition;
   int N[NDIM];

src/builder.cpp

@@ -1433 +1433 @@
      }
      if (mol == NULL) {
-       mol = World::getInstance().createMolecule();
+       mol = World::get()->createMolecule();
        mol->ActiveFlag = true;
        if (ConfigFileName != NULL)
@@ -1482 +1482 @@
                 SaveFlag = true;
                 Log() << Verbose(1) << "Adding new atom with element " << argv[argptr] << " at (" << argv[argptr+1] << "," << argv[argptr+2] << "," << argv[argptr+3] << "), ";
-                first = World::getInstance().createAtom();
+                first = World::get()->createAtom();
                 first->type = periode->FindElement(atoi(argv[argptr]));
                 if (first->type != NULL)
@@ -1635 +1635 @@
                 Log() << Verbose(1) << "Filling Box with water molecules." << endl;
                 // construct water molecule
-                molecule *filler = World::getInstance().createMolecule();
+                molecule *filler = World::get()->createMolecule();
                 molecule *Filling = NULL;
                 atom *second = NULL, *third = NULL;
@@ -1642 +1642 @@
 //                first->x.Zero();
 //                filler->AddAtom(first);
-                first = World::getInstance().createAtom();
+                first = World::get()->createAtom();
                 first->type = periode->FindElement(1);
                 first->x.Init(0.441, -0.143, 0.);
                 filler->AddAtom(first);
-                second = World::getInstance().createAtom();
+                second = World::get()->createAtom();
                 second->type = periode->FindElement(1);
                 second->x.Init(-0.464, 1.137, 0.0);
                 filler->AddAtom(second);
-                third = World::getInstance().createAtom();
+                third = World::get()->createAtom();
                 third->type = periode->FindElement(8);
                 third->x.Init(-0.464, 0.177, 0.);
@@ -1665 +1665 @@
                   molecules->insert(Filling);
                 }
-                World::getInstance().destroyMolecule(filler);
+                World::get()->destroyMolecule(filler);
                 argptr+=6;
               }
@@ -2098 +2098 @@
                       x.AddVector(&y); // per factor one cell width further
                       for (int k=count;k--;) { // go through every atom of the original cell
-                        first = World::getInstance().createAtom(); // create a new body
+                        first = World::get()->createAtom(); // create a new body
                         first->x.CopyVector(vectors[k]);  // use coordinate of original atom
                         first->x.AddVector(&x);      // translate the coordinates
@@ -2169 +2169 @@
 void cleanUp(config *configuration){
   UIFactory::purgeInstance();
-  World::purgeInstance();
+  World::destroy();
   delete(configuration);
   Log() << Verbose(0) <<  "Maximum of allocated memory: "
@@ -2178 +2178 @@
   logger::purgeInstance();
   errorLogger::purgeInstance();
-  ActionRegistry::purgeInstance();
+  ActionRegistry::purgeRegistry();
 }
 
@@ -2193 +2193 @@
     setVerbosity(0);
     /* structure of ParseCommandLineOptions will be refactored later */
-    j = ParseCommandLineOptions(argc, argv,  World::getInstance().getMolecules(), World::getInstance().getPeriode(), *configuration, ConfigFileName);
+    j = ParseCommandLineOptions(argc, argv,  World::get()->getMolecules(), World::get()->getPeriode(), *configuration, ConfigFileName);
     switch (j){
         case 255:
@@ -2203 +2203 @@
             break;
     }
-    if(World::getInstance().numMolecules() == 0){
-        mol = World::getInstance().createMolecule();
-        World::getInstance().getMolecules()->insert(mol);
+    if(World::get()->numMolecules() == 0){
+        mol = World::get()->createMolecule();
+        World::get()->getMolecules()->insert(mol);
         if(mol->cell_size[0] == 0.){
             Log() << Verbose(0) << "enter lower tridiagonal form of basis matrix" << endl << endl;
@@ -2228 +2228 @@
       UIFactory::makeUserInterface(UIFactory::Text);
 #endif
-      MainWindow *mainWindow = UIFactory::getInstance().makeMainWindow(populaters,World::getInstance().getMolecules(), configuration, World::getInstance().getPeriode(), ConfigFileName);
+      MainWindow *mainWindow = UIFactory::get()->makeMainWindow(populaters,World::get()->getMolecules(), configuration, World::get()->getPeriode(), ConfigFileName);
       mainWindow->display();
 
@@ -2234 +2234 @@
     }
 
-    if(World::getInstance().getPeriode()->StorePeriodentafel(configuration->databasepath))
+    if(World::get()->getPeriode()->StorePeriodentafel(configuration->databasepath))
         Log() << Verbose(0) << "Saving of elements.db successful." << endl;
 

src/config.cpp

@@ -733 +733 @@
             sprintf(keyword,"%s_%i",name, j+1);
             if (repetition == 0) {
-              neues = World::getInstance().createAtom();
+              neues = World::get()->createAtom();
               AtomList[i][j] = neues;
               LinearList[ FileBuffer->LineMapping[FileBuffer->CurrentLine] ] = neues;
@@ -812 +812 @@
           sprintf(keyword,"%s_%i",name, j+1);
           if (repetition == 0) {
-            neues = World::getInstance().createAtom();
+            neues = World::get()->createAtom();
             AtomList[i][j] = neues;
             LinearList[ FileBuffer->LineMapping[FileBuffer->CurrentLine] ] = neues;
@@ -851 +851 @@
 void config::Load(const char * const filename, const string &BondGraphFileName, const periodentafel * const periode, MoleculeListClass * const &MolList)
 {
-  molecule *mol = World::getInstance().createMolecule();
+  molecule *mol = World::get()->createMolecule();
   ifstream *file = new ifstream(filename);
   if (file == NULL) {
@@ -1089 +1089 @@
 void config::LoadOld(const char * const filename, const string &BondGraphFileName, const periodentafel * const periode, MoleculeListClass * const &MolList)
 {
-  molecule *mol = World::getInstance().createMolecule();
+  molecule *mol = World::get()->createMolecule();
   ifstream *file = new ifstream(filename);
   if (file == NULL) {
@@ -1288 +1288 @@
         }
         istringstream input2(zeile);
-        atom *neues = World::getInstance().createAtom();
+        atom *neues = World::get()->createAtom();
         input2 >> neues->x.x[0]; // x
         input2 >> neues->x.x[1]; // y
@@ -1788 +1788 @@
   char filename[MAXSTRINGSIZE];
   ofstream output;
-  molecule *mol = World::getInstance().createMolecule();
+  molecule *mol = World::get()->createMolecule();
   mol->SetNameFromFilename(ConfigFileName);
 
@@ -1899 +1899 @@
   }
 
-  World::getInstance().destroyMolecule(mol);
+  World::get()->destroyMolecule(mol);
 };
 

src/errorlogger.cpp

@@ -9 +9 @@
 #include "errorlogger.hpp"
 #include "verbose.hpp"
-#include "Patterns/Singleton_impl.hpp"
 
 ofstream null("/dev/null");
+
+errorLogger* errorLogger::instance = NULL;
 int errorLogger::verbosity = 2;
 ostream* errorLogger::nix = &null;
@@ -22 +23 @@
 errorLogger::errorLogger()
 {
+  instance = NULL;
   verbosity = 2;
 };
@@ -32 +34 @@
 }
 
-CONSTRUCT_SINGLETON(errorLogger)
+/**
+ * Returns the singleton errorLogger instance.
+ *
+ * \return errorLogger instance
+ */
+errorLogger* errorLogger::getInstance() {
+  if (instance == NULL) {
+    instance = new errorLogger();
+  }
+
+  return instance;
+}
+
+
+/**
+ * Purges the current errorLogger instance.
+ */
+void errorLogger::purgeInstance() {
+  if (instance != NULL) {
+    delete instance;
+  }
+
+  instance = NULL;
+}
 
 /**

src/errorlogger.hpp

@@ -11 +11 @@
 #include <iostream>
 
-#include "Patterns/Singleton.hpp"
-
 using namespace std;
 
 class Verbose;
 
-class errorLogger : public Singleton<errorLogger>{
-  friend class Singleton<errorLogger>;
+class errorLogger {
 public :
   static ostream *nix;
   static int verbosity;
 
+  static errorLogger* getInstance();
+  static void purgeInstance();
   static bool DoOutput();
   static void setVerbosity(int verbosityLevel);
@@ -32 +31 @@
   ~errorLogger();
 
+private:
+  static errorLogger* instance;
 };
 

src/log.cpp

@@ -15 +15 @@
  */
 void setVerbosity(int verbosityLevel) {
-  logger::getInstance().setVerbosity(verbosityLevel);
-  errorLogger::getInstance().setVerbosity(verbosityLevel);
+  logger::getInstance()->setVerbosity(verbosityLevel);
+  errorLogger::getInstance()->setVerbosity(verbosityLevel);
 }
 
@@ -24 +24 @@
  * \param indentation level of the message to log
  */
-class logger& Log() {
+class logger * Log() {
   return logger::getInstance();
 }
@@ -33 +33 @@
  * \param indentation level of the message to log
  */
-class errorLogger & eLog() {
+class errorLogger * eLog() {
   return errorLogger::getInstance();
 }

src/logger.cpp

@@ -9 +9 @@
 #include "logger.hpp"
 #include "verbose.hpp"
-#include "Patterns/Singleton_impl.hpp"
 
 ofstream nullStream("/dev/null");
 
+logger* logger::instance = NULL;
 int logger::verbosity = 2;
 ostream* logger::nix = &nullStream;
@@ -23 +23 @@
 logger::logger()
 {
+  instance = NULL;
   verbosity = 2;
 };
@@ -33 +34 @@
 }
 
-CONSTRUCT_SINGLETON(logger)
+/**
+ * Returns the singleton logger instance.
+ *
+ * \return logger instance
+ */
+logger* logger::getInstance() {
+  if (instance == NULL) {
+    instance = new logger();
+  }
+
+  return instance;
+}
+
+
+/**
+ * Purges the current logger instance.
+ */
+void logger::purgeInstance() {
+  if (instance != NULL) {
+    delete instance;
+  }
+
+  instance = NULL;
+}
 
 /**

src/logger.hpp

@@ -11 +11 @@
 #include <iostream>
 
-#include "Patterns/Singleton.hpp"
-
 using namespace std;
 
 class Verbose;
 
-class logger : public Singleton<logger> {
-  friend class Singleton<logger>;
+class logger {
 public :
   static ostream *nix;
   static int verbosity;
 
+  static logger* getInstance();
+  static void purgeInstance();
   static bool DoOutput();
   static void setVerbosity(int verbosityLevel);
@@ -31 +30 @@
   /** Do not call this destructor directly, use purgeInstance() instead. */
   ~logger();
+
+private:
+  static logger* instance;
 };
 

src/molecule.cpp

@@ -31 +31 @@
  * Initialises molecule list with correctly referenced start and end, and sets molecule::last_atom to zero.
  */
-molecule::molecule(const periodentafel * const teil) : elemente(teil), start(World::getInstance().createAtom()), end(World::getInstance().createAtom()),
+molecule::molecule(const periodentafel * const teil) : elemente(teil), start(World::get()->createAtom()), end(World::get()->createAtom()),
   first(new bond(start, end, 1, -1)), last(new bond(start, end, 1, -1)), MDSteps(0), AtomCount(0), 
   BondCount(0), ElementCount(0), NoNonHydrogen(0), NoNonBonds(0), NoCyclicBonds(0), BondDistance(0.), 
@@ -56 +56 @@
 
 molecule *NewMolecule(){
-  return new molecule(World::getInstance().getPeriode());
+  return new molecule(World::get()->getPeriode());
 }
 
@@ -261 +261 @@
   switch(TopBond->BondDegree) {
     case 1:
-      FirstOtherAtom = World::getInstance().createAtom();    // new atom
+      FirstOtherAtom = World::get()->createAtom();    // new atom
       FirstOtherAtom->type = elemente->FindElement(1);  // element is Hydrogen
       FirstOtherAtom->v.CopyVector(&TopReplacement->v); // copy velocity
@@ -318 +318 @@
 
       // create the two Hydrogens ...
-      FirstOtherAtom = World::getInstance().createAtom();
-      SecondOtherAtom = World::getInstance().createAtom();
+      FirstOtherAtom = World::get()->createAtom();
+      SecondOtherAtom = World::get()->createAtom();
       FirstOtherAtom->type = elemente->FindElement(1);
       SecondOtherAtom->type = elemente->FindElement(1);
@@ -373 +373 @@
     case 3:
       // take the "usual" tetraoidal angle and add the three Hydrogen in direction of the bond (height of the tetraoid)
-      FirstOtherAtom = World::getInstance().createAtom();
-      SecondOtherAtom = World::getInstance().createAtom();
-      ThirdOtherAtom = World::getInstance().createAtom();
+      FirstOtherAtom = World::get()->createAtom();
+      SecondOtherAtom = World::get()->createAtom();
+      ThirdOtherAtom = World::get()->createAtom();
       FirstOtherAtom->type = elemente->FindElement(1);
       SecondOtherAtom->type = elemente->FindElement(1);
@@ -494 +494 @@
     MDSteps++;
   for(i=0;i<NumberOfAtoms;i++){
-    Walker = World::getInstance().createAtom();
+    Walker = World::get()->createAtom();
     getline(xyzfile,line,'\n');
     istringstream *item = new istringstream(line);

src/molecule_dynamics.cpp

@@ -486 +486 @@
   bool status = true;
   int MaxSteps = configuration.MaxOuterStep;
-  MoleculeListClass *MoleculePerStep = new MoleculeListClass(World::getPointer());
+  MoleculeListClass *MoleculePerStep = new MoleculeListClass(World::get());
   // Get the Permutation Map by MinimiseConstrainedPotential
   atom **PermutationMap = NULL;
@@ -506 +506 @@
   Log() << Verbose(1) << "Filling intermediate " << MaxSteps << " steps with MDSteps of " << MDSteps << "." << endl;
   for (int step = 0; step <= MaxSteps; step++) {
-    mol = World::getInstance().createMolecule();
+    mol = World::get()->createMolecule();
     MoleculePerStep->insert(mol);
     Walker = start;

src/molecule_fragmentation.cpp

@@ -676 +676 @@
   //if (FragmentationToDo) {    // we should always store the fragments again as coordination might have changed slightly without changing bond structure
   // allocate memory for the pointer array and transmorph graphs into full molecular fragments
-  BondFragments = new MoleculeListClass(World::getPointer());
+  BondFragments = new MoleculeListClass(World::get());
   int k=0;
   for(Graph::iterator runner = TotalGraph.begin(); runner != TotalGraph.end(); runner++) {
@@ -927 +927 @@
 {
   atom **SonList = Calloc<atom*>(AtomCount, "molecule::StoreFragmentFromStack: **SonList");
-  molecule *Leaf = World::getInstance().createMolecule();
+  molecule *Leaf = World::get()->createMolecule();
 
 //  Log() << Verbose(1) << "Begin of StoreFragmentFromKeyset." << endl;

src/moleculelist.cpp

@@ -215 +215 @@
   // remove src
   ListOfMolecules.remove(srcmol);
-  World::getInstance().destroyMolecule(srcmol);
+  World::get()->destroyMolecule(srcmol);
   return true;
 };
@@ -750 +750 @@
 void MoleculeListClass::DissectMoleculeIntoConnectedSubgraphs(const periodentafel * const periode, config * const configuration)
 {
-  molecule *mol = World::getInstance().createMolecule();
+  molecule *mol = World::get()->createMolecule();
   atom *Walker = NULL;
   atom *Advancer = NULL;
@@ -775 +775 @@
     }
     // remove the molecule
-    World::getInstance().destroyMolecule(*MolRunner);
+    World::get()->destroyMolecule(*MolRunner);
     ListOfMolecules.erase(MolRunner);
   }
@@ -797 +797 @@
   molecule **molecules = Malloc<molecule *>(MolCount, "config::Load() - **molecules");
   for (int i=0;i<MolCount;i++) {
-    molecules[i] = World::getInstance().createMolecule();
+    molecules[i] = World::get()->createMolecule();
     molecules[i]->ActiveFlag = true;
     strncpy(molecules[i]->name, mol->name, MAXSTRINGSIZE);
@@ -895 +895 @@
   OBSERVE;
   molecule *mol = NULL;
-  mol = World::getInstance().createMolecule();
+  mol = World::get()->createMolecule();
   insert(mol);
 };
@@ -904 +904 @@
   char filename[MAXSTRINGSIZE];
   Log() << Verbose(0) << "Format should be XYZ with: ShorthandOfElement\tX\tY\tZ" << endl;
-  mol = World::getInstance().createMolecule();
+  mol = World::get()->createMolecule();
   do {
     Log() << Verbose(0) << "Enter file name: ";
@@ -962 +962 @@
       mol = *ListRunner;
       ListOfMolecules.erase(ListRunner);
-      World::getInstance().destroyMolecule(mol);
+      World::get()->destroyMolecule(mol);
       break;
     }
@@ -1009 +1009 @@
   // remove the leaf itself
   if (Leaf != NULL) {
-    World::getInstance().destroyMolecule(Leaf);
+    World::get()->destroyMolecule(Leaf);
     Leaf = NULL;
   }

src/unittests/AnalysisCorrelationToPointUnitTest.cpp

@@ -57 +57 @@
 
   // construct periodentafel
-  tafel = World::getInstance().getPeriode();
+  tafel = World::get()->getPeriode();
   tafel->AddElement(hydrogen);
 
   // construct molecule (tetraeder of hydrogens)
-  TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
+  TestMolecule = World::get()->createMolecule();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 0., 0. );
@@ -82 +82 @@
   CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
 
-  TestList = World::getInstance().getMolecules();
+  TestList = World::get()->getMolecules();
   TestMolecule->ActiveFlag = true;
   TestList->insert(TestMolecule);
@@ -104 +104 @@
 
   delete(point);
-  World::purgeInstance();
+  World::destroy();
   MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();

src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp

@@ -61 +61 @@
 
   // construct periodentafel
-  tafel = World::getInstance().getPeriode();
+  tafel = World::get()->getPeriode();
   tafel->AddElement(hydrogen);
   tafel->AddElement(carbon);
 
   // construct molecule (tetraeder of hydrogens) base
-  TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
+  TestMolecule = World::get()->createMolecule();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 0., 0. );
@@ -87 +87 @@
   CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
 
-  TestList = World::getInstance().getMolecules();
+  TestList = World::get()->getMolecules();
   TestMolecule->ActiveFlag = true;
   TestList->insert(TestMolecule);
@@ -100 +100 @@
 
   // add outer atoms
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = carbon;
   Walker->node->Init(4., 0., 4. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = carbon;
   Walker->node->Init(0., 4., 4. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = carbon;
   Walker->node->Init(4., 4., 0. );
   TestMolecule->AddAtom(Walker);
   // add inner atoms
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = carbon;
   Walker->node->Init(0.5, 0.5, 0.5 );
@@ -135 +135 @@
   // note that all the atoms are cleaned by TestMolecule
   delete(LC);
-  World::purgeInstance();
+  World::destroy();
   MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();

src/unittests/AnalysisPairCorrelationUnitTest.cpp

@@ -56 +56 @@
 
   // construct periodentafel
-  tafel = World::getInstance().getPeriode();
+  tafel = World::get()->getPeriode();
   tafel->AddElement(hydrogen);
 
   // construct molecule (tetraeder of hydrogens)
-  TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
+  TestMolecule = World::get()->createMolecule();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 0., 0. );
@@ -81 +81 @@
   CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
 
-  TestList = World::getInstance().getMolecules();
+  TestList = World::get()->getMolecules();
   TestMolecule->ActiveFlag = true;
   TestList->insert(TestMolecule);
@@ -100 +100 @@
 
   // note that all the atoms are cleaned by TestMolecule
-  World::purgeInstance();
+  World::destroy();
   MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();

src/unittests/AtomDescriptorTest.cpp

@@ -29 +29 @@
 // set up and tear down
 void AtomDescriptorTest::setUp(){
-  World::getInstance();
+  World::get();
   for(int i=0;i<ATOM_COUNT;++i){
-    atoms[i]= World::getInstance().createAtom();
+    atoms[i]= World::get()->createAtom();
     atomIds[i]= atoms[i]->getId();
   }
@@ -37 +37 @@
 
 void AtomDescriptorTest::tearDown(){
-  World::purgeInstance();
+  World::destroy();
 }
 
@@ -73 +73 @@
 
 void AtomDescriptorTest::AtomBaseSetsTest(){
-  std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
+  std::vector<atom*> allAtoms = World::get()->getAllAtoms(AllAtoms());
   CPPUNIT_ASSERT_EQUAL( true , hasAllAtoms(allAtoms,atomIds));
   CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateAtoms(allAtoms));
 
-  std::vector<atom*> noAtoms = World::getInstance().getAllAtoms(NoAtoms());
+  std::vector<atom*> noAtoms = World::get()->getAllAtoms(NoAtoms());
   CPPUNIT_ASSERT_EQUAL( true , noAtoms.empty());
 }
@@ -83 +83 @@
   // test Atoms from boundaries and middle of the set
   atom* testAtom;
-  testAtom = World::getInstance().getAtom(AtomById(atomIds[0]));
+  testAtom = World::get()->getAtom(AtomById(atomIds[0]));
   CPPUNIT_ASSERT(testAtom);
   CPPUNIT_ASSERT_EQUAL( atomIds[0], testAtom->getId());
-  testAtom = World::getInstance().getAtom(AtomById(atomIds[ATOM_COUNT/2]));
+  testAtom = World::get()->getAtom(AtomById(atomIds[ATOM_COUNT/2]));
   CPPUNIT_ASSERT(testAtom);
   CPPUNIT_ASSERT_EQUAL( atomIds[ATOM_COUNT/2], testAtom->getId());
-  testAtom = World::getInstance().getAtom(AtomById(atomIds[ATOM_COUNT-1]));
+  testAtom = World::get()->getAtom(AtomById(atomIds[ATOM_COUNT-1]));
   CPPUNIT_ASSERT(testAtom);
   CPPUNIT_ASSERT_EQUAL( atomIds[ATOM_COUNT-1], testAtom->getId());
@@ -103 +103 @@
   }
   // test from outside of set
-  testAtom = World::getInstance().getAtom(AtomById(outsideId));
+  testAtom = World::get()->getAtom(AtomById(outsideId));
   CPPUNIT_ASSERT(!testAtom);
 }
@@ -109 +109 @@
   // test some elementary set operations
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(AllAtoms()||NoAtoms());
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(AllAtoms()||NoAtoms());
     CPPUNIT_ASSERT_EQUAL( true , hasAllAtoms(testAtoms,atomIds));
     CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateAtoms(testAtoms));
@@ -115 +115 @@
 
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(NoAtoms()||AllAtoms());
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(NoAtoms()||AllAtoms());
     CPPUNIT_ASSERT_EQUAL( true , hasAllAtoms(testAtoms,atomIds));
     CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateAtoms(testAtoms));
@@ -121 +121 @@
 
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(NoAtoms()&&AllAtoms());
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(NoAtoms()&&AllAtoms());
     CPPUNIT_ASSERT_EQUAL( true , testAtoms.empty());
   }
 
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(AllAtoms()&&NoAtoms());
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(AllAtoms()&&NoAtoms());
     CPPUNIT_ASSERT_EQUAL( true , testAtoms.empty());
   }
 
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(!AllAtoms());
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(!AllAtoms());
     CPPUNIT_ASSERT_EQUAL( true , testAtoms.empty());
   }
 
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(!NoAtoms());
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(!NoAtoms());
     CPPUNIT_ASSERT_EQUAL( true , hasAllAtoms(testAtoms,atomIds));
     CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateAtoms(testAtoms));
@@ -143 +143 @@
   // exclude and include some atoms
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(AllAtoms()&&(!AtomById(atomIds[ATOM_COUNT/2])));
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(AllAtoms()&&(!AtomById(atomIds[ATOM_COUNT/2])));
     std::set<atomId_t> excluded;
     excluded.insert(atomIds[ATOM_COUNT/2]);
@@ -152 +152 @@
 
   {
-    std::vector<atom*> testAtoms = World::getInstance().getAllAtoms(NoAtoms()||(AtomById(atomIds[ATOM_COUNT/2])));
+    std::vector<atom*> testAtoms = World::get()->getAllAtoms(NoAtoms()||(AtomById(atomIds[ATOM_COUNT/2])));
     CPPUNIT_ASSERT_EQUAL( (size_t)1, testAtoms.size());
     CPPUNIT_ASSERT_EQUAL( atomIds[ATOM_COUNT/2], testAtoms[0]->getId());

src/unittests/Makefile.am

@@ -29 +29 @@
   MoleculeDescriptorTest \
   ObserverTest \
-  SingletonTest \
   StackClassUnitTest \
   TesselationUnitTest \
@@ -67 +66 @@
   MoleculeDescriptorTest.cpp \
   ObserverTest.cpp \
-  SingletonTest.cpp \
   stackclassunittest.cpp \
   tesselationunittest.cpp \
@@ -125 +123 @@
 MoleculeDescriptorTest_LDADD = ${ALLLIBS}
 
-SingletonTest_SOURCES = UnitTestMain.cpp SingletonTest.cpp SingletonTest.hpp
-SingletonTest_LDADD = $(BOOST_LIB) ${BOOST_THREAD_LIB}
-
 StackClassUnitTest_SOURCES = UnitTestMain.cpp stackclassunittest.cpp stackclassunittest.hpp
 StackClassUnitTest_LDADD = ${ALLLIBS}

src/unittests/MoleculeDescriptorTest.cpp

@@ -29 +29 @@
 // set up and tear down
 void MoleculeDescriptorTest::setUp(){
-  World::getInstance();
+  World::get();
   for(int i=0;i<MOLECULE_COUNT;++i){
-    molecules[i]= World::getInstance().createMolecule();
+    molecules[i]= World::get()->createMolecule();
     moleculeIds[i]= molecules[i]->getId();
   }
@@ -37 +37 @@
 
 void MoleculeDescriptorTest::tearDown(){
-  World::purgeInstance();
+  World::destroy();
 }
 
@@ -73 +73 @@
 
 void MoleculeDescriptorTest::MoleculeBaseSetsTest(){
-  std::vector<molecule*> allMolecules = World::getInstance().getAllMolecules(AllMolecules());
+  std::vector<molecule*> allMolecules = World::get()->getAllMolecules(AllMolecules());
   CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(allMolecules,moleculeIds));
   CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(allMolecules));
 
-  std::vector<molecule*> noMolecules = World::getInstance().getAllMolecules(NoMolecules());
+  std::vector<molecule*> noMolecules = World::get()->getAllMolecules(NoMolecules());
   CPPUNIT_ASSERT_EQUAL( true , noMolecules.empty());
 }
@@ -83 +83 @@
   // test Molecules from boundaries and middle of the set
   molecule* testMolecule;
-  testMolecule = World::getInstance().getMolecule(MoleculeById(moleculeIds[0]));
+  testMolecule = World::get()->getMolecule(MoleculeById(moleculeIds[0]));
   CPPUNIT_ASSERT(testMolecule);
   CPPUNIT_ASSERT_EQUAL( moleculeIds[0], testMolecule->getId());
-  testMolecule = World::getInstance().getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT/2]));
+  testMolecule = World::get()->getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT/2]));
   CPPUNIT_ASSERT(testMolecule);
   CPPUNIT_ASSERT_EQUAL( moleculeIds[MOLECULE_COUNT/2], testMolecule->getId());
-  testMolecule = World::getInstance().getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT-1]));
+  testMolecule = World::get()->getMolecule(MoleculeById(moleculeIds[MOLECULE_COUNT-1]));
   CPPUNIT_ASSERT(testMolecule);
   CPPUNIT_ASSERT_EQUAL( moleculeIds[MOLECULE_COUNT-1], testMolecule->getId());
@@ -103 +103 @@
   }
   // test from outside of set
-  testMolecule = World::getInstance().getMolecule(MoleculeById(outsideId));
+  testMolecule = World::get()->getMolecule(MoleculeById(outsideId));
   CPPUNIT_ASSERT(!testMolecule);
 }
@@ -109 +109 @@
   // test some elementary set operations
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(AllMolecules()||NoMolecules());
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(AllMolecules()||NoMolecules());
     CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(testMolecules,moleculeIds));
     CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(testMolecules));
@@ -115 +115 @@
 
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(NoMolecules()||AllMolecules());
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(NoMolecules()||AllMolecules());
     CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(testMolecules,moleculeIds));
     CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(testMolecules));
@@ -121 +121 @@
 
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(NoMolecules()&&AllMolecules());
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(NoMolecules()&&AllMolecules());
     CPPUNIT_ASSERT_EQUAL( true , testMolecules.empty());
   }
 
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(AllMolecules()&&NoMolecules());
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(AllMolecules()&&NoMolecules());
     CPPUNIT_ASSERT_EQUAL( true , testMolecules.empty());
   }
 
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(!AllMolecules());
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(!AllMolecules());
     CPPUNIT_ASSERT_EQUAL( true , testMolecules.empty());
   }
 
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(!NoMolecules());
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(!NoMolecules());
     CPPUNIT_ASSERT_EQUAL( true , hasAllMolecules(testMolecules,moleculeIds));
     CPPUNIT_ASSERT_EQUAL( true , hasNoDuplicateMolecules(testMolecules));
@@ -143 +143 @@
   // exclude and include some molecules
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(AllMolecules()&&(!MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(AllMolecules()&&(!MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
     std::set<moleculeId_t> excluded;
     excluded.insert(moleculeIds[MOLECULE_COUNT/2]);
@@ -152 +152 @@
 
   {
-    std::vector<molecule*> testMolecules = World::getInstance().getAllMolecules(NoMolecules()||(MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
+    std::vector<molecule*> testMolecules = World::get()->getAllMolecules(NoMolecules()||(MoleculeById(moleculeIds[MOLECULE_COUNT/2])));
     CPPUNIT_ASSERT_EQUAL( (size_t)1, testMolecules.size());
     CPPUNIT_ASSERT_EQUAL( moleculeIds[MOLECULE_COUNT/2], testMolecules[0]->getId());

src/unittests/analysisbondsunittest.cpp

@@ -61 +61 @@
 
   // construct periodentafel
-  tafel = World::getInstance().getPeriode();
+  tafel = World::get()->getPeriode();
   tafel->AddElement(hydrogen);
   tafel->AddElement(carbon);
 
   // construct molecule (tetraeder of hydrogens)
-  TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
+  TestMolecule = World::get()->createMolecule();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1.5, 0., 1.5 );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 1.5, 1.5 );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1.5, 1.5, 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 0., 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = carbon;
   Walker->node->Init(0.5, 0.5, 0.5 );
@@ -117 +117 @@
 
   // remove molecule
-  World::getInstance().destroyMolecule(TestMolecule);
+  World::get()->destroyMolecule(TestMolecule);
   // note that all the atoms are cleaned by TestMolecule
-  World::purgeInstance();
+  World::destroy();
 };
 

src/unittests/atomsCalculationTest.cpp

@@ -23 +23 @@
 #include "World_calculations.hpp"
 #include "atom.hpp"
-
-#ifdef HAVE_TESTRUNNER
-#include "UnitTestMain.hpp"
-#endif /*HAVE_TESTRUNNER*/
 
 // Registers the fixture into the 'registry'
@@ -55 +51 @@
 // set up and tear down
 void atomsCalculationTest::setUp(){
-  World::getInstance();
+  World::get();
   for(int i=0;i<ATOM_COUNT;++i){
     atoms[i]= new AtomStub(i);
-    World::getInstance().registerAtom(atoms[i]);
+    World::get()->registerAtom(atoms[i]);
   }
 }
 void atomsCalculationTest::tearDown(){
-  World::purgeInstance();
-  ActionRegistry::purgeInstance();
+  World::destroy();
+  ActionRegistry::purgeRegistry();
 }
 
@@ -96 +92 @@
 }
 
+static void operation(atom* _atom){
+  AtomStub *atom = dynamic_cast<AtomStub*>(_atom);
+  assert(atom);
+  atom->doSomething();
+}
+
+
 void atomsCalculationTest::testCalculateSimple(){
-  AtomsCalculation<int> *calc = World::getInstance().calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms());
+  AtomsCalculation<int> *calc = World::get()->calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms());
   std::vector<int> allIds = (*calc)();
   CPPUNIT_ASSERT(hasAll(allIds,0,ATOM_COUNT));
@@ -105 +108 @@
 void atomsCalculationTest::testCalculateExcluded(){
   int excluded = ATOM_COUNT/2;
-  AtomsCalculation<int> *calc = World::getInstance().calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms() && !AtomById(excluded));
+  AtomsCalculation<int> *calc = World::get()->calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms() && !AtomById(excluded));
   std::vector<int> allIds = (*calc)();
   std::set<int> excluded_set;

src/unittests/bondgraphunittest.cpp

@@ -57 +57 @@
 
   // construct periodentafel
-  tafel = World::getInstance().getPeriode();
+  tafel = World::get()->getPeriode();
   tafel->AddElement(hydrogen);
   tafel->AddElement(carbon);
 
   // construct molecule (tetraeder of hydrogens)
-  TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
+  TestMolecule = World::get()->createMolecule();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 0., 0. );
@@ -102 +102 @@
 
   // remove molecule
-  World::getInstance().destroyMolecule(TestMolecule);
+  World::get()->destroyMolecule(TestMolecule);
   // note that all the atoms, molecules, the tafel and the elements
   // are all cleaned when the world is destroyed
-  World::purgeInstance();
+  World::destroy();
   MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();

src/unittests/listofbondsunittest.cpp

@@ -51 +51 @@
 
   // construct periodentafel
-  tafel = World::getInstance().getPeriode();
+  tafel = World::get()->getPeriode();
   tafel->AddElement(hydrogen);
 
   // construct molecule (tetraeder of hydrogens)
-  TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
+  TestMolecule = World::get()->createMolecule();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
+  Walker = World::get()->createAtom();
   Walker->type = hydrogen;
   Walker->node->Init(0., 0., 0. );
@@ -82 +82 @@
 {
   // remove
-  World::getInstance().destroyMolecule(TestMolecule);
+  World::get()->destroyMolecule(TestMolecule);
   // note that all the atoms, molecules, the tafel and the elements
   // are all cleaned when the world is destroyed
-  World::purgeInstance();
+  World::destroy();
   MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();
@@ -250 +250 @@
 
   // remove atom2
-  World::getInstance().destroyAtom(atom2);
+  World::get()->destroyAtom(atom2);
 
   // check bond if removed from other atom

src/unittests/logunittest.cpp

@@ -40 +40 @@
 void LogTest::logTest()
 {
-  logger::getInstance().setVerbosity(2);
+  logger::getInstance()->setVerbosity(2);
   Log() << Verbose(0) << "Verbosity level is set to 2." << endl;
   Log() << Verbose(0) << "Test level 0" << endl;

src/unittests/manipulateAtomsTest.cpp

@@ -22 +22 @@
 #include "atom.hpp"
 
-#ifdef HAVE_TESTRUNNER
-#include "UnitTestMain.hpp"
-#endif /*HAVE_TESTRUNNER*/
-
 // Registers the fixture into the 'registry'
 CPPUNIT_TEST_SUITE_REGISTRATION( manipulateAtomsTest );
@@ -34 +30 @@
   AtomStub(int _id) :
   atom(),
-  manipulated(false),
-  id(_id)
+  id(_id),
+  manipulated(false)
   {}
 
@@ -70 +66 @@
 // set up and tear down
 void manipulateAtomsTest::setUp(){
-  World::getInstance();
+  World::get();
   for(int i=0;i<ATOM_COUNT;++i){
     atoms[i]= new AtomStub(i);
-    World::getInstance().registerAtom(atoms[i]);
+    World::get()->registerAtom(atoms[i]);
   }
 }
 void manipulateAtomsTest::tearDown(){
-  World::purgeInstance();
-  ActionRegistry::purgeInstance();
+  World::destroy();
+  ActionRegistry::purgeRegistry();
+}
+
+// some helper functions
+static bool hasAll(std::vector<atom*> atoms,int min, int max, std::set<int> excluded = std::set<int>()){
+  for(int i=min;i<max;++i){
+    if(!excluded.count(i)){
+      std::vector<atom*>::iterator iter;
+      bool res=false;
+      for(iter=atoms.begin();iter!=atoms.end();++iter){
+        res |= (*iter)->getId() == i;
+      }
+      if(!res) {
+        cout << "Atom " << i << " missing in returned list" << endl;
+        return false;
+      }
+    }
+  }
+  return true;
+}
+
+static bool hasNoDuplicates(std::vector<atom*> atoms){
+  std::set<int> found;
+  std::vector<atom*>::iterator iter;
+  for(iter=atoms.begin();iter!=atoms.end();++iter){
+    int id = (*iter)->getId();
+    if(found.count(id))
+      return false;
+    found.insert(id);
+  }
+  return true;
 }
 
@@ -89 +115 @@
 
 void manipulateAtomsTest::testManipulateSimple(){
-  ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
+  ManipulateAtomsProcess *proc = World::get()->manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
   proc->call();
-  std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
+  std::vector<atom*> allAtoms = World::get()->getAllAtoms(AllAtoms());
   std::vector<atom*>::iterator iter;
   for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
@@ -102 +128 @@
 
 void manipulateAtomsTest::testManipulateExcluded(){
-  ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
+  ManipulateAtomsProcess *proc = World::get()->manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
   proc->call();
-  std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
+  std::vector<atom*> allAtoms = World::get()->getAllAtoms(AllAtoms());
   std::vector<atom*>::iterator iter;
   for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
@@ -119 +145 @@
 void manipulateAtomsTest::testObserver(){
   countObserver *obs = new countObserver();
-  World::getInstance().signOn(obs);
-  ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
+  World::get()->signOn(obs);
+  ManipulateAtomsProcess *proc = World::get()->manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
   proc->call();
 
   CPPUNIT_ASSERT_EQUAL(1,obs->count);
-  World::getInstance().signOff(obs);
+  World::get()->signOff(obs);
   delete obs;
 }