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 cbc5fb was d2dbac0, checked in by Tillmann Crueger <crueger@…>, 16 years ago |
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moved Iterators for the World to a seperate file
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-
Property mode
set to
100644
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File size:
1.7 KB
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| 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 | world(_world),
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| 20 | index(0)
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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;
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| 86 | }
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