mcMd/analyzers/system/StructureFactorGrid.h

#ifndef MCMD_STRUCTURE_FACTOR_GRID_H
#define MCMD_STRUCTURE_FACTOR_GRID_H

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/

#include "StructureFactor.h"
#include <util/crystal/LatticeSystem.h>

namespace McMd
{

   using namespace Util;

   class StructureFactorGrid : public StructureFactor
   {

   public:

      StructureFactorGrid(System &system);

      virtual void readParameters(std::istream& in);

      virtual void loadParameters(Serializable::IArchive& ar);

      virtual void save(Serializable::OArchive& ar);

      template <class Archive>
      void serialize(Archive& ar, const unsigned int version);

      virtual void setup();

      virtual void output();

      virtual void sample(long iStep);

   private:

      DArray<int>  starIds_;

      DArray<int>  starSizes_;

      int   hMax_;

      int   nStar_;

      LatticeSystem   lattice_;

      bool    isInitialized_;

      std::ofstream logFile_;
   };


   /*
   * Serialize to/from an archive. 
   */
   template <class Archive>
   void StructureFactorGrid::serialize(Archive& ar, const unsigned int version)
   {
      StructureFactor::serialize(ar, version);
      ar & hMax_;
      //serializeEnum(ar, lattice_);
      ar & lattice_;
      ar & nStar_;
      ar & starIds_;
      ar & starSizes_;
   }

}
#endif