Basis.h

/*
 * Copyright (c) 2013      Christoph Niethammer <christoph.niethammer@gmail.com>
 *
 * $COPYRIGHT$
 *
 * Additional copyrights may follow
 *
 * $HEADER
 */
 
#ifndef BASIS_H
#define BASIS_H
 
#include <vector>
 
#include "molecules/Molecule.h"
#include "utils/xmlfileUnits.h"
 
class Basis {
public:
    Basis() = default;
    ~~Basis() = default;
 
    void readXML(XMLfileUnits& xmlconfig);
 
    void addMolecule(const Molecule& molecule);
 
    size_t numMolecules();
 
    Molecule getMolecule(int i);
 
private:
    std::vector<Molecule> _molecules;
};
 
#endif /* BASIS_H */