source:
src/Descriptors/MoleculeSelectionDescriptor_impl.hpp@
454b555
| Last change on this file since 454b555 was 97445f, checked in by , 10 years ago | |
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| 1 | /* |
| 2 | * MoleculeSelectionDescriptor_impl.hpp |
| 3 | * |
| 4 | * Created on: Jul 16, 2010 |
| 5 | * Author: crueger |
| 6 | */ |
| 7 | |
| 8 | #ifndef MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_ |
| 9 | #define MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_ |
| 10 | |
| 11 | // include config.h |
| 12 | #ifdef HAVE_CONFIG_H |
| 13 | #include <config.h> |
| 14 | #endif |
| 15 | |
| 16 | |
| 17 | #include "Descriptors/MoleculeDescriptor_impl.hpp" |
| 18 | |
| 19 | class MoleculeSelectionDescriptor_impl : public MoleculeDescriptor_impl{ |
| 20 | public: |
| 21 | MoleculeSelectionDescriptor_impl(); |
| 22 | virtual ~MoleculeSelectionDescriptor_impl(); |
| 23 | bool predicate(const std::pair<moleculeId_t,const molecule*> molecule) const; |
| 24 | protected: |
| 25 | // need to overide more than the standard methods to make this fast |
| 26 | virtual molecule *find(); |
| 27 | virtual const molecule *find() const; |
| 28 | virtual std::vector<molecule*> findAll(); |
| 29 | virtual std::vector<const molecule*> findAll() const; |
| 30 | |
| 31 | World::MoleculeSet& getSelectedMolecules(); |
| 32 | const World::MoleculeSet& getSelectedMolecules() const; |
| 33 | }; |
| 34 | |
| 35 | #endif /* MOLECULESELECTIONDESCRIPTOR_IMPL_HPP_ */ |
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