BondContainer.hpp

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/* 
 * BondContainer.hpp 
 *
 * This file is part of the Chemical Data Processing Toolkit
 *
 * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
 *
 * This library is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public
 * License as published by the Free Software Foundation; either
 * version 2 of the License, or (at your option) any later version.
 *
 * This library is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
 * Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License
 * along with this library; see the file COPYING. If not, write to
 * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
 * Boston, MA 02111-1307, USA.
 */
 
#ifndef CDPL_CHEM_BONDCONTAINER_HPP
#define CDPL_CHEM_BONDCONTAINER_HPP
 
#include <cstddef>
 
#include "CDPL/Chem/APIPrefix.hpp"
#include "CDPL/Chem/BondCompareFunction.hpp"
#include "CDPL/Util/IndexedElementIterator.hpp"
 
 
namespace CDPL
{
 
    namespace Chem
    {
 
        class Bond;
 
        class CDPL_CHEM_API BondContainer
        {
 
            class ConstBondAccessor;
            class BondAccessor;
 
          public:
            typedef Util::IndexedElementIterator<const Bond, ConstBondAccessor> ConstBondIterator;
 
            typedef Util::IndexedElementIterator<Bond, BondAccessor> BondIterator;
 
            virtual std::size_t getNumBonds() const = 0;
 
            virtual const Bond& getBond(std::size_t idx) const = 0;
 
            virtual Bond& getBond(std::size_t idx) = 0;
 
            ConstBondIterator getBondsBegin() const;
 
            ConstBondIterator getBondsEnd() const;
 
            BondIterator getBondsBegin();
 
            BondIterator getBondsEnd();
 
            ConstBondIterator begin() const;
 
            ConstBondIterator end() const;
 
            BondIterator begin();
 
            BondIterator end();
 
            virtual bool containsBond(const Bond& bond) const = 0;
 
            virtual std::size_t getBondIndex(const Bond& bond) const = 0;
 
            virtual void orderBonds(const BondCompareFunction& func) = 0;
 
            const BondContainer& getBonds() const
            {
                return *this;
            }
 
            BondContainer& getBonds()
            {
                return *this;
            }
 
          protected:
            virtual ~BondContainer() {}
 
            BondContainer& operator=(const BondContainer& cntnr);
 
          private:
            class CDPL_CHEM_API ConstBondAccessor
            {
 
              public:
                ConstBondAccessor(const BondAccessor& accessor):
                    container(accessor.container) {}
 
                ConstBondAccessor(const BondContainer* cntnr):
                    container(cntnr) {}
 
                const Bond& operator()(std::size_t idx) const
                {
                    return container->getBond(idx);
                }
 
                bool operator==(const ConstBondAccessor& accessor) const
                {
                    return (container == accessor.container);
                }
 
                ConstBondAccessor& operator=(const BondAccessor& accessor)
                {
                    container = accessor.container;
                    return *this;
                }
 
              private:
                const BondContainer* container;
            };
 
            class CDPL_CHEM_API BondAccessor
            {
 
                friend class ConstBondAccessor;
 
              public:
                BondAccessor(BondContainer* cntnr):
                    container(cntnr) {}
 
                Bond& operator()(std::size_t idx) const
                {
                    return container->getBond(idx);
                }
 
                bool operator==(const BondAccessor& accessor) const
                {
                    return (container == accessor.container);
                }
 
              private:
                BondContainer* container;
            };
        };
    } // namespace Chem
} // namespace CDPL
 
#endif // CDPL_CHEM_BONDCONTAINER_HPP