ddMd/analyzers/scattering/StructureFactorGrid.h

#ifndef DDMD_STRUCTURE_FACTOR_GRID_H
#define DDMD_STRUCTURE_FACTOR_GRID_H

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010 - 2017, 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 DdMd
{

   using namespace Util;

   class StructureFactorGrid : public StructureFactor
   {

   public:

      StructureFactorGrid(Simulation &simulation);

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

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

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

      virtual void sample(long iStep);

      virtual void output();

   private:

      DArray<int>  starIds_;

      DArray<int>  starSizes_;

      int   hMax_;

      int   nStar_;

      LatticeSystem   lattice_;

      bool    isInitialized_;
     
      std::ofstream logFile_;

   };

}
#endif