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
Last change
on this file since dbb474 was 24a5e0, checked in by Tillmann Crueger <crueger@…>, 15 years ago |
Added -Wall flag and fixed several small hickups
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Property mode
set to
100644
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File size:
1.7 KB
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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;
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86 | }
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