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MoleculeOfAtomSelectionDescriptor_impl.hpp@ c4cba2

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Candidate_v1.6.1 Candidate_v1.7.0 stable

Last change on this file since c4cba2 was 97445f, checked in by Frederik Heber <heber@…>, 10 years ago

World::getMolecules..() now has const versions as well.

File size: 1000 bytes

Rev	Line
[c42e60]	1	/*
	2	* MoleculeOfAtomSelectionDescriptor_impl.hpp
	3	*
	4	* Created on: Jul 16, 2010
	5	* Author: crueger
	6	*/
	7
	8	#ifndef MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_
	9	#define MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_
	10
[56f73b]	11	// include config.h
	12	#ifdef HAVE_CONFIG_H
	13	#include <config.h>
	14	#endif
	15
	16
[c42e60]	17	#include "Descriptors/MoleculeDescriptor_impl.hpp"
	18
	19	class MoleculeOfAtomSelectionDescriptor_impl : public MoleculeDescriptor_impl{
	20	public:
	21	MoleculeOfAtomSelectionDescriptor_impl();
	22	virtual ~MoleculeOfAtomSelectionDescriptor_impl();
[97445f]	23	bool predicate(const std::pair<moleculeId_t,const molecule*> molecule) const;
[c42e60]	24	protected:
	25	// need to overide more than the standard methods to make this fast
[97445f]	26	virtual molecule *find();
	27	virtual const molecule *find() const;
[c42e60]	28	virtual std::vector<molecule*> findAll();
[97445f]	29	virtual std::vector<const molecule*> findAll() const;
[ea7a50]	30
	31	World::AtomSet& getSelectedAtoms();
[97445f]	32	const World::AtomSet& getSelectedAtoms() const;
[c42e60]	33	};
	34
	35	#endif /* MOLECULEOFATOMSELECTIONDESCRIPTOR_IMPL_HPP_ */

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