BondLengthDist.h

#ifndef MCMD_BOND_LENGTH_DIST_H
#define MCMD_BOND_LENGTH_DIST_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 parameter
#include <util/accumulators/Distribution.h>
#include <util/containers/DArray.h>

#include <util/global.h>

namespace McMd
{

   using namespace Util;

   class BondLengthDist : public SystemAnalyzer<System>
   {
   
   public:

      BondLengthDist(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();
   
      void sample(long iStep);

      virtual void output();

   private:

      // Output file stream
      std::ofstream outputFile_;

      // Distribution statistical accumulator
      Distribution  accumulator_;

      double min_;

      double max_;

      double nBin_;

      int     speciesId_;
  
      bool    isInitialized_;

   };

   /*
   * Serialize to/from an archive. 
   */
   template <class Archive>
   void BondLengthDist::serialize(Archive& ar, const unsigned int version)
   {   
      Analyzer::serialize(ar, version);
      ar & speciesId_;
      ar & min_;
      ar & max_;
      ar & nBin_;
      ar & accumulator_;
   }

}
#endif