SemiGrandDistribution.h

#ifndef MCMD_SEMI_GRAND_DISTRIBUTION_H
#define MCMD_SEMI_GRAND_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 SemiGrandDistribution : public SystemAnalyzer<McSystem>
   {

   public:
  
      SemiGrandDistribution(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);

      void sample(long iStep);

      virtual void output();

   private:

     std::ofstream outputFile_;

     IntDistribution distribution_;

     int speciesId_;

     int moleculeCapacity_;

     Species* speciesPtr_;

     SpeciesMutator* mutatorPtr_;
   
   };

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

}
#endif