Changeset cd032d for src/World.hpp

Timestamp:

Mar 11, 2010, 2:46:41 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

68d781

Parents:

a77c96 (diff), ed58ad (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'StructureRefactoring' into QT4Refactoring

Conflicts:

molecuilder/src/builder.cpp
molecuilder/src/defs.hpp

File:

• src/World.hpp (modified) (7 diffs)

src/World.hpp

@@ -19 +19 @@
 #include "Patterns/Observer.hpp"
 #include "Patterns/Cacheable.hpp"
+#include "Patterns/Singleton.hpp"
+
 
 // forward declarations
@@ -33 +35 @@
 class AtomsCalculation;
 
-class World : public Observable
+
+
+class World : public Singleton<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;
@@ -45 +53 @@
 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;
@@ -151 +161 @@
   // Atoms
 
-  class AtomIterator {
+  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>
+  {
   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*);
@@ -191 +215 @@
   // Molecules
 
-  class MoleculeIterator {
+  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>
+  {
   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*);
@@ -245 +282 @@
   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:
   /**
@@ -280 +294 @@
    */
   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;
 
   /*****