Changeset 6e97e5 for src/World.hpp

Timestamp:

Mar 17, 2010, 3:19:56 PM (15 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, 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:

229e3c

Parents:

745a85

git-author:

Tillmann Crueger <crueger@…> (03/17/10 14:53:26)

git-committer:

Tillmann Crueger <crueger@…> (03/17/10 15:19:56)

Message:

Added a generic Iterator that can be used to iterate only over certain parts of an internal data structure

File:

• src/World.hpp (modified) (5 diffs)

src/World.hpp

@@ -17 +17 @@
 
 #include "types.hpp"
+#include "Descriptors/SelectiveIterator.hpp"
 #include "Patterns/Observer.hpp"
 #include "Patterns/Cacheable.hpp"
@@ -160 +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;
 
   /**
@@ -211 +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;
 
   /**
@@ -264 +193 @@
    * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
    */
-  MoleculeSet::iterator moleculeEnd();
+  MoleculeIterator moleculeEnd();
 
 
@@ -277 +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