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  • src/molecule.hpp

    r274d45 r6cfa36  
    9393
    9494  public:
    95     typedef std::list<atom*> atomSet;
    96     typedef std::set<atomId_t> atomIdSet;
     95    typedef std::set<atom*> atomSet;
    9796    typedef ObservedIterator<atomSet> iterator;
    9897    typedef atomSet::const_iterator const_iterator;
     
    122121    Cacheable<int>    AtomCount;
    123122    moleculeId_t id;
    124     atomSet atoms; //<!list of atoms
    125     atomIdSet atomIds; //<!set of atomic ids to check uniqueness of atoms
     123    atomSet atoms; //<!set of atoms
    126124  protected:
    127125    //void CountAtoms();
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