Changeset 4415da for src/World.hpp

Timestamp:

Apr 1, 2010, 12:16:29 PM (16 years ago)

Author:

Saskia Metzler <metzler@…>

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:

b8d4a3

Parents:

9131f3 (diff), f9352d (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 Till's structure refactoring

Merge commit 'till/StructureRefactoring' into StateAndFormatParser

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/unittests/Makefile.am

File:

• src/World.hpp (modified) (8 diffs)

src/World.hpp

@@ -16 +16 @@
 #include <boost/shared_ptr.hpp>
 
-#include "defs.hpp"
+#include "types.hpp"
+#include "Descriptors/SelectiveIterator.hpp"
 #include "Patterns/Observer.hpp"
 #include "Patterns/Cacheable.hpp"
+#include "Patterns/Singleton.hpp"
+
 
 // forward declarations
@@ -33 +36 @@
 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 +54 @@
 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;
@@ -150 +161 @@
 
   // 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>
-  {
-  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*);
-    AtomIterator(const AtomIterator&);
-    AtomIterator& operator=(const AtomIterator&);
-    AtomIterator& operator++();     // prefix
-    AtomIterator  operator++(int);  // postfix with dummy parameter
-    bool operator==(const AtomIterator&);
-    bool operator==(const AtomSet::iterator&);
-    bool operator!=(const AtomIterator&);
-    bool operator!=(const AtomSet::iterator&);
-    atom* operator*();
-
-    int getCount();
-  protected:
-    void advanceState();
-    AtomSet::iterator state;
-    boost::shared_ptr<AtomDescriptor_impl>  descr;
-    int index;
-
-    World* world;
-  };
+  typedef SelectiveIterator<atom*,AtomSet,AtomDescriptor> AtomIterator;
 
   /**
@@ -201 +175 @@
    * used for internal purposes, like AtomProcesses and AtomCalculations.
    */
-  AtomSet::iterator atomEnd();
+  AtomIterator atomEnd();
 
   // 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>
-  {
-  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*);
-    MoleculeIterator(const MoleculeIterator&);
-    MoleculeIterator& operator=(const MoleculeIterator&);
-    MoleculeIterator& operator++();     // prefix
-    MoleculeIterator  operator++(int);  // postfix with dummy parameter
-    bool operator==(const MoleculeIterator&);
-    bool operator==(const MoleculeSet::iterator&);
-    bool operator!=(const MoleculeIterator&);
-    bool operator!=(const MoleculeSet::iterator&);
-    molecule* operator*();
-
-    int getCount();
-  protected:
-    void advanceState();
-    MoleculeSet::iterator state;
-    boost::shared_ptr<MoleculeDescriptor_impl>  descr;
-    int index;
-
-    World* world;
-  };
+  typedef SelectiveIterator<molecule*,MoleculeSet,MoleculeDescriptor> MoleculeIterator;
 
   /**
@@ -254 +193 @@
    * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
    */
-  MoleculeSet::iterator moleculeEnd();
+  MoleculeIterator moleculeEnd();
 
 
@@ -267 +206 @@
 
   periodentafel *periode;
+public:
   AtomSet atoms;
+private:
   std::set<atomId_t> atomIdPool; //<!stores the pool for all available AtomIds below currAtomId
   atomId_t currAtomId; //!< stores the next available Id for atoms
   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:
   /**
@@ -307 +225 @@
    */
   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;
 
   /*****