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
      
      
        
          | Last change
 on this file since 2561df was             24a5e0, checked in by Tillmann Crueger <crueger@…>, 16 years ago | 
        
          | 
Added -Wall flag and fixed several small hickups
 | 
        
          | 
              
Property                 mode
 set to                 100644 | 
        
          | File size:
            1.7 KB | 
      
      
| Line |  | 
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| 1 | /* | 
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| 2 | * WorldIterators.cpp | 
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| 3 | * | 
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| 4 | *  Created on: Feb 25, 2010 | 
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| 5 | *      Author: crueger | 
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| 6 | */ | 
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| 7 |  | 
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| 8 | #include "Descriptors/AtomDescriptor.hpp" | 
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| 9 | #include "Descriptors/AtomDescriptor_impl.hpp" | 
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| 10 | #include "atom.hpp" | 
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| 11 | #include "World.hpp" | 
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| 12 |  | 
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| 13 | World::AtomIterator::AtomIterator(){ | 
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| 14 | state = World::get()->atomEnd(); | 
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| 15 | } | 
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| 16 |  | 
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| 17 | World::AtomIterator::AtomIterator(AtomDescriptor _descr, World* _world) : | 
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| 18 | descr(_descr.get_impl()), | 
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| 19 | index(0), | 
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| 20 | world(_world) | 
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| 21 | { | 
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| 22 | state = world->atoms.begin(); | 
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| 23 | advanceState(); | 
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| 24 | } | 
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| 25 |  | 
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| 26 | World::AtomIterator::AtomIterator(const AtomIterator& rhs) : | 
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| 27 | state(rhs.state), | 
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| 28 | descr(rhs.descr), | 
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| 29 | index(rhs.index), | 
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| 30 | world(rhs.world) | 
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| 31 | {} | 
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| 32 |  | 
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| 33 | World::AtomIterator& World::AtomIterator::operator=(const AtomIterator& rhs) | 
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| 34 | { | 
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| 35 | if(&rhs!=this){ | 
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| 36 | state=rhs.state; | 
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| 37 | descr=rhs.descr; | 
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| 38 | index=rhs.index; | 
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| 39 | world=rhs.world; | 
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| 40 | } | 
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| 41 | return *this; | 
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| 42 | } | 
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| 43 |  | 
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| 44 | World::AtomIterator& World::AtomIterator::operator++(){ | 
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| 45 | ++state; | 
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| 46 | ++index; | 
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| 47 | advanceState(); | 
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| 48 | return *this; | 
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| 49 | } | 
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| 50 |  | 
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| 51 | World::AtomIterator World::AtomIterator::operator++(int){ | 
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| 52 | AtomIterator res(*this); | 
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| 53 | ++(*this); | 
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| 54 | return res; | 
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| 55 | } | 
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| 56 |  | 
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| 57 | bool World::AtomIterator::operator==(const AtomIterator& rhs){ | 
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| 58 | return state==rhs.state; | 
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| 59 | } | 
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| 60 |  | 
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| 61 | bool World::AtomIterator::operator==(const World::AtomSet::iterator& rhs){ | 
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| 62 | return state==rhs; | 
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| 63 | } | 
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| 64 |  | 
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| 65 | bool World::AtomIterator::operator!=(const AtomIterator& rhs){ | 
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| 66 | return state!=rhs.state; | 
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| 67 | } | 
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| 68 |  | 
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| 69 | bool World::AtomIterator::operator!=(const World::AtomSet::iterator& rhs){ | 
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| 70 | return state!=rhs; | 
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| 71 | } | 
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| 72 |  | 
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| 73 | atom* World::AtomIterator::operator*(){ | 
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| 74 | return (*state).second; | 
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| 75 | } | 
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| 76 |  | 
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| 77 | void World::AtomIterator::advanceState(){ | 
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| 78 | while((state!=world->atoms.end()) && (!descr->predicate(*state))){ | 
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| 79 | ++state; | 
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| 80 | ++index; | 
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| 81 | } | 
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| 82 | } | 
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| 83 |  | 
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| 84 | int World::AtomIterator::getCount(){ | 
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| 85 | return index; | 
|---|
| 86 | } | 
|---|
       
      
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