Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since 775f3f 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:
546 bytes
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| 1 | #ifndef MOLECULEPTRDESCRIPTOR_IMPL_HPP
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| 2 | #define MOLECULEPTRDESCRIPTOR_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 molecule;
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| 13 |
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| 14 | class MoleculePtrDescriptor_impl : public MoleculeDescriptor_impl
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| 15 | {
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| 16 | public:
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| 17 | MoleculePtrDescriptor_impl(const molecule * ptr);
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| 18 | virtual ~MoleculePtrDescriptor_impl();
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| 19 |
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| 20 | bool predicate(const std::pair<moleculeId_t,const molecule*> molecule) const;
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| 21 |
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| 22 | private:
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| 23 | const molecule * ptr;
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| 24 | };
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| 25 |
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| 26 | #endif //MOLECULEPTRDESCRIPTOR_IMPL_HPP
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