RingRouseAutoCorr.h

#ifndef MCMD_RING_ROUSE_AUTO_CORR_H
#define MCMD_RING_ROUSE_AUTO_CORR_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 <mcMd/analyzers/SystemAnalyzer.h>   // base class template
#include <mcMd/simulation/System.h>          // base class template param
#include <util/accumulators/AutoCorrArray.h> // member template 
#include <util/space/Vector.h>               // member template parameter
#include <util/containers/DArray.h>          // member template

namespace Simp {
   class Species;
}

namespace McMd
{

   using namespace Util;
   using namespace Simp;

   class RingRouseAutoCorr : public SystemAnalyzer<System>
   {
   
   public:
  
      RingRouseAutoCorr(System &system);

      virtual ~RingRouseAutoCorr();
  
      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 sample(long iStep);

      virtual void output();
   
   private:
   
      std::ofstream outputFile_;

      AutoCorrArray<Vector, double> accumulator_;

      DArray<Vector> data_;
   
      DArray<double> projector_;
   
      Species *speciesPtr_;
   
      int     speciesId_;
   
      int     nMolecule_;

      int     nAtom_;
 
      int     p_;

      int     capacity_;
   
      bool    isInitialized_;

   };

   /*
   * Serialize to/from an archive. 
   */
   template <class Archive>
   void RingRouseAutoCorr::serialize(Archive& ar, const unsigned int version)
   {
      Analyzer::serialize(ar, version);
      ar & speciesId_;
      ar & p_;
      ar & capacity_;
      ar & nAtom_;
      ar & nMolecule_;
      ar & accumulator_;
      ar & projector_;
   }

}
#endif