HierarchyView.hpp

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/* 
 * HierarchyView.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_BIOMOL_HIERARCHYVIEW_HPP
#define CDPL_BIOMOL_HIERARCHYVIEW_HPP
 
#include <cstddef>
#include <vector>
#include <unordered_map>
#include <mutex>
#include <memory>
 
#include <boost/iterator/indirect_iterator.hpp>
 
#include "CDPL/Biomol/APIPrefix.hpp"
#include "CDPL/Biomol/HierarchyViewModel.hpp"
#include "CDPL/Biomol/ResidueList.hpp"
 
 
namespace CDPL
{
 
    namespace Biomol
    {
 
        class CDPL_BIOMOL_API HierarchyView
        {
 
            typedef std::shared_ptr<HierarchyViewModel> ModelPtr;
            typedef std::vector<ModelPtr>               ModelList;
 
          public:
            typedef std::shared_ptr<HierarchyView> SharedPointer;
 
            typedef boost::indirect_iterator<ModelList::const_iterator, const HierarchyViewModel> ConstModelIterator;
 
            HierarchyView();
 
            HierarchyView(const Chem::MolecularGraph& molgraph);
 
            const ResidueList& getResidues() const;
 
            std::size_t getNumModels() const;
 
            const HierarchyViewModel& getModel(std::size_t idx) const;
 
            bool hasModelWithNumber(std::size_t num) const;
 
            const HierarchyViewModel& getModelByNumber(std::size_t num) const;
 
            ConstModelIterator getModelsBegin() const;
 
            ConstModelIterator getModelsEnd() const;
 
            ConstModelIterator begin() const;
 
            ConstModelIterator end() const;
 
            void build(const Chem::MolecularGraph& molgraph);
 
          private:
            void initModelList() const;
 
            typedef std::unordered_map<std::size_t, ModelPtr> IDToModelMap;
 
            const Chem::MolecularGraph* molGraph;
            mutable ResidueList         residues;
            mutable ModelList           models;
            mutable IDToModelMap        idToModelMap;
            mutable bool                initResidues;
            mutable bool                initModels;
            mutable std::mutex          initMutex;
        };
    } // namespace Biomol
} // namespace CDPL
 
#endif // CDPL_BIOMOL_HIERARCHYVIEW_HPP