| 6 | 
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 * redistribute this software in source and binary code form, provided | 
| 7 | 
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 * that the following conditions are met: | 
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  | 
 * | 
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 * 1. Acknowledgement of the program authors must be made in any | 
| 10 | 
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 *    publication of scientific results based in part on use of the | 
| 11 | 
< | 
 *    program.  An acceptable form of acknowledgement is citation of | 
| 12 | 
< | 
 *    the article in which the program was described (Matthew | 
| 13 | 
< | 
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | 
< | 
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | 
< | 
 *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | 
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 *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
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< | 
 * | 
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 * 2. Redistributions of source code must retain the above copyright | 
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> | 
 * 1. Redistributions of source code must retain the above copyright | 
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  | 
 *    notice, this list of conditions and the following disclaimer. | 
| 11 | 
  | 
 * | 
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 * 3. Redistributions in binary form must reproduce the above copyright | 
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> | 
 * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | 
  | 
 *    notice, this list of conditions and the following disclaimer in the | 
| 14 | 
  | 
 *    documentation and/or other materials provided with the | 
| 15 | 
  | 
 *    distribution. | 
| 28 | 
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 * arising out of the use of or inability to use software, even if the | 
| 29 | 
  | 
 * University of Notre Dame has been advised of the possibility of | 
| 30 | 
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 * such damages. | 
| 31 | 
+ | 
 * | 
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 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | 
+ | 
 * research, please cite the appropriate papers when you publish your | 
| 34 | 
+ | 
 * work.  Good starting points are: | 
| 35 | 
+ | 
 *                                                                       | 
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+ | 
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
| 37 | 
+ | 
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
| 38 | 
+ | 
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).           | 
| 39 | 
+ | 
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | 
+ | 
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
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  | 
 */ | 
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 | 
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#ifndef SELECTION_SELECTIONMANAGER_HPP | 
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#define SELECTION_SELECTIONMANAGER_HPP | 
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 | 
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#include "utils/BitSet.hpp" | 
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#include "utils/OpenMDBitSet.hpp" | 
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#include "primitives/StuntDouble.hpp" | 
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namespace OpenMD { | 
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 | 
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namespace oopse { | 
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  class SimInfo; | 
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  class SelectionManager { | 
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  public: | 
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    SelectionManager(SimInfo* info); | 
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 | 
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/** | 
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 * @class SelectionManager SelectionManager.hpp "selection/SelectionManager.hpp" | 
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 * @brief | 
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 */ | 
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class SelectionManager { | 
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    public: | 
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        SelectionManager(int size) {bsSelection_.resize(size); clearSelection;} | 
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 | 
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        void addSelection(StuntDouble* sd) { | 
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            bsSelection_.setBitOn(sd->getGlobalIndex()); | 
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        } | 
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    void addSelection(StuntDouble* sd) { | 
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      bsSelection_.setBitOn(sd->getGlobalIndex()); | 
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    } | 
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         | 
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        void addSelectionSet(const BitSet& bs) { | 
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            bsSelection_ |= bs; | 
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        } | 
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    void addSelectionSet(const OpenMDBitSet& bs) { | 
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      bsSelection_ |= bs; | 
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    } | 
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 | 
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        void setSelection(StuntDouble* sd) { | 
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            bsSelection_.clearAll(); | 
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            bsSelection_.setBitOn(sd->getGlobalIndex()); | 
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        } | 
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    void setSelection(StuntDouble* sd) { | 
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      bsSelection_.clearAll(); | 
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      bsSelection_.setBitOn(sd->getGlobalIndex()); | 
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    } | 
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         | 
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        void setSelectionSet(const BitSet& bs) { | 
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            bsSelection_ = bs;            | 
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        } | 
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    void setSelectionSet(const OpenMDBitSet& bs) { | 
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      bsSelection_ = bs;            | 
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    } | 
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 | 
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        void toggleSelection(StuntDouble* sd) { | 
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            bsSelection_.flip(sd->getGlobalIndex()); | 
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        } | 
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    void toggleSelection(StuntDouble* sd) { | 
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      bsSelection_.flip(sd->getGlobalIndex()); | 
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    } | 
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 | 
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        void toggleSelection() { | 
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            bsSelection_.flip(); | 
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        } | 
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    void toggleSelection() { | 
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      bsSelection_.flip(); | 
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    } | 
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  | 
         | 
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        void selectAll() { | 
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            bsSelection_.setAll();                 | 
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        } | 
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    void selectAll() { | 
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      bsSelection_.setAll();                 | 
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    } | 
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 | 
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        void clearSelection() { | 
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           bsSelection_.clearAll(); | 
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        } | 
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    void clearSelection() { | 
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      bsSelection_.clearAll(); | 
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    } | 
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 | 
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        void clearSelection(StuntDouble* sd) { | 
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            bsSelection_.setBitOff(sd->getGlobalIndex()); | 
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        } | 
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    void clearSelection(StuntDouble* sd) { | 
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      bsSelection_.setBitOff(sd->getGlobalIndex()); | 
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    } | 
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 | 
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        bool isSelected(StuntDouble* sd) { | 
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            return bsSelection_[sd->getGlobalIndex()]; | 
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        } | 
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    bool isSelected(StuntDouble* sd) { | 
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      return bsSelection_[sd->getGlobalIndex()]; | 
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    } | 
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  | 
 | 
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        bool isEmpty() { | 
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            return bsSelection_.none(); | 
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        } | 
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    bool isEmpty() { | 
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      return bsSelection_.none(); | 
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    } | 
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 | 
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        int getSelectionCount() { | 
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            bsSelection_.countBits(); | 
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        } | 
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    int getSelectionCount() { | 
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      return bsSelection_.countBits(); | 
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    } | 
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  | 
 | 
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        BitSet getSelectionSet() { | 
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            return bsSelection_; | 
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        } | 
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    OpenMDBitSet getSelectionSet() { | 
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      return bsSelection_; | 
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    } | 
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> | 
 | 
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> | 
 | 
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    StuntDouble* beginSelected(int& i); | 
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    StuntDouble* nextSelected(int& i); | 
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 | 
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    StuntDouble* beginUnselected(int& i); | 
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    StuntDouble* nextUnSelected(int& i); | 
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> | 
 | 
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    SelectionManager& operator&= (const SelectionManager &sman) { | 
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      bsSelection_ &= sman.bsSelection_; | 
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      return *this;  | 
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    } | 
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  | 
         | 
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    private: | 
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    SelectionManager& operator|= (const SelectionManager &sman) { | 
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      bsSelection_ |= sman.bsSelection_; | 
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      return *this;  | 
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> | 
    } | 
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  | 
         | 
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        BitSet bsSelection_; | 
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        SimInfo* info_; | 
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}; | 
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    SelectionManager& operator^= (const SelectionManager &sman) { | 
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      bsSelection_ ^= sman.bsSelection_; | 
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      return *this;  | 
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    } | 
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  | 
 | 
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    SelectionManager& operator-= (const SelectionManager &sman) { | 
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      bsSelection_ -= sman.bsSelection_; | 
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      return *this;  | 
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    } | 
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         | 
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    friend SelectionManager operator| (const SelectionManager& sman1, const SelectionManager& sman2); | 
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    friend SelectionManager operator& (const SelectionManager& sman1, const SelectionManager& sman2); | 
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    friend SelectionManager operator^ (const SelectionManager& sman1, const SelectionManager& sman2); | 
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    friend SelectionManager operator-(const SelectionManager& sman1, const SelectionManager& sman2); | 
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         | 
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  private: | 
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    SimInfo* info_; | 
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    OpenMDBitSet bsSelection_; | 
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    std::vector<StuntDouble*> stuntdoubles_; | 
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  }; | 
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 | 
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  | 
} | 
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#endif |