TypeDistribution.h

#ifndef MCMD_TYPE_DISTRIBUTION_H
#define MCMD_TYPE_DISTRIBUTION_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/mcSimulation/McSystem.h>         // base template parameter
#include <util/accumulators/IntDistribution.h>  // member

namespace Simp {
   class Species;
}

namespace McMd
{

   class SpeciesMutator;

   using namespace Util;
   using namespace Simp;

   class TypeDistribution : public SystemAnalyzer<McSystem>
   {

   public:
  
      TypeDistribution(McSystem& 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);

      /* 
      * Evaluate energy and print.
      */
      void sample(long iStep);

      /*
      * Output final summary and file format.
      */
      virtual void output();

   private:

     std::ofstream outputFile_;

     DArray<int> distribution_;

     int nSample_;

     int speciesId_;

     int nState_;

     Species* speciesPtr_;

     SpeciesMutator* mutatorPtr_;
   
   };

   /*
   * Serialize to/from an archive. 
   */
   template <class Archive>
   void TypeDistribution::serialize(Archive& ar, const unsigned int version)
   {  
       Analyzer::serialize(ar, version); 
       ar & speciesId_;
       ar & nState_;
       ar & nSample_;
       ar & distribution_;
   }

}
#endif