Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
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
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
stable
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Last change
on this file since f79d65 was 795c0f, checked in by Frederik Heber <heber@…>, 10 years ago |
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World::getAtoms() now has const versions as well.
- this in turn required to adapt all AtomDescriptors and some fixes, e.g.
predicate is now const member and works on const atom ptr.
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-
Property mode
set to
100644
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File size:
701 bytes
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| 1 | #ifndef ATOMORDERDESCRIPTOR_IMPL_HPP
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| 2 | #define ATOMORDERDESCRIPTOR_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/AtomDescriptor_impl.hpp"
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| 11 |
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| 12 | class AtomOrderDescriptor_impl : public AtomDescriptor_impl
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| 13 | {
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| 14 | public:
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| 15 | AtomOrderDescriptor_impl(int _id);
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| 16 | virtual ~AtomOrderDescriptor_impl();
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| 17 |
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| 18 | bool predicate(std::pair<atomId_t,const atom*> atom) const;
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| 19 |
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| 20 | protected:
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| 21 | virtual atom *find();
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| 22 | virtual const atom *find() const;
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| 23 | virtual std::vector<atom*> findAll();
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| 24 | virtual std::vector<const atom*> findAll() const;
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| 25 |
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| 26 | World::AtomSet& getAtoms();
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| 27 | const World::AtomSet& getAtoms() 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 //ATOMORDERDESCRIPTOR_IMPL_HPP
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