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 e2925fd was 781408, checked in by Frederik Heber <heber@…>, 12 years ago |
FIX: Added inline comparators for IndexSet::ptr, fixed IndexSetContainer cstors.
- we simply use those of IndexSet.
- this is important to allow IndexSet::ptr as (sensible) keys in maps.
- IndexSetContainer created superset AllIndices only when instantiated from a
KeySetsContainer, not when from SortedVector. Copy&pasted createSuperSet()
for these cases. Sadly, all very similar but immense work to avoid the c&p.
- this issue appeared because the inline comparators dereference IndexSet::ptr,
hence uncovering that AllIndices is still NULL.
|
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Property mode
set to
100644
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File size:
1.4 KB
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1 | /*
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2 | * IndexSet.hpp
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3 | *
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4 | * Created on: Apr 24, 2011
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef INDEXSET_HPP_
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9 | #define INDEXSET_HPP_
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10 |
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11 | // include config.h
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12 | #ifdef HAVE_CONFIG_H
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13 | #include <config.h>
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14 | #endif
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15 |
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16 | #include <boost/shared_ptr.hpp>
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17 | #include <set>
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18 |
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19 | //!> is the type of an index
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20 | typedef size_t Index_t;
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21 |
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22 | /** This class represents a single set of indices along with functions to order them
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23 | * and check whether one is contained in another.
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24 | */
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25 | class IndexSet : public std::set<Index_t>
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26 | {
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27 | public:
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28 | //!> typedef for instance wrapped in share_ptr
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29 | typedef boost::shared_ptr<IndexSet> ptr;
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30 |
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31 | IndexSet();
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32 |
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33 | ~IndexSet();
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34 |
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35 | // index set contain checks
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36 | bool contains(const IndexSet &_indexset) const;
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37 | bool contains(const Index_t _index) const;
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38 |
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39 | // comparison
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40 | bool operator<(const IndexSet &b) const;
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41 | bool operator>(const IndexSet &b) const;
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42 | bool operator==(const IndexSet &b) const;
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43 | bool operator!=(const IndexSet &b) const
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44 | {
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45 | return !(*this == b);
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46 | }
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47 |
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48 | private:
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49 | };
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50 |
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51 | inline bool operator==(const IndexSet::ptr &a, const IndexSet::ptr &b)
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52 | {
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53 | return (*a == *b);
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54 | }
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55 |
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56 | inline bool operator!=(const IndexSet::ptr &a, const IndexSet::ptr &b)
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57 | {
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58 | return (*a != *b);
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59 | }
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60 |
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61 | inline bool operator<(const IndexSet::ptr &a, const IndexSet::ptr &b)
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62 | {
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63 | return (*a < *b);
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64 | }
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65 |
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66 | inline bool operator>(const IndexSet::ptr &a, const IndexSet::ptr &b)
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67 | {
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68 | return (*a > *b);
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69 | }
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70 |
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71 | std::ostream & operator<<(std::ostream &ost, const IndexSet &indexset);
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72 |
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73 | #endif /* INDEXSET_HPP_ */
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