Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
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Last change
on this file since 3aa204 was 97445f, checked in by Frederik Heber <heber@…>, 10 years ago |
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World::getMolecules..() now has const versions as well.
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Property mode
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100644
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File size:
784 bytes
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| 1 | #ifndef MOLECULEORDERDESCRIPTOR_IMPL_HPP
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| 2 | #define MOLECULEORDERDESCRIPTOR_IMPL_HPP
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| 3 |
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| 4 | // include config.h
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| 5 | #ifdef HAVE_CONFIG_H
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| 6 | #include <config.h>
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| 7 | #endif
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| 8 |
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| 9 |
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| 10 | #include "Descriptors/MoleculeDescriptor_impl.hpp"
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| 11 |
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| 12 | class MoleculeOrderDescriptor_impl : public MoleculeDescriptor_impl
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| 13 | {
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| 14 | public:
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| 15 | MoleculeOrderDescriptor_impl(int _id);
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| 16 | virtual ~MoleculeOrderDescriptor_impl();
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| 17 |
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| 18 | bool predicate(const std::pair<moleculeId_t,const molecule*> _molecule) const;
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| 19 |
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| 20 | protected:
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| 21 | virtual molecule *find();
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| 22 | virtual const molecule *find() const;
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| 23 | virtual std::vector<molecule*> findAll();
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| 24 | virtual std::vector<const molecule*> findAll() const;
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| 25 |
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| 26 | World::MoleculeSet& getMolecules();
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| 27 | const World::MoleculeSet& getMolecules() const;
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| 28 |
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| 29 | private:
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| 30 | int id;
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| 31 | };
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| 32 |
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| 33 | #endif //MOLECULEORDERDESCRIPTOR_IMPL_HPP
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