CfbReptationMove.h

#ifndef MCMD_CFB_REPTATION_MOVE_H
#define MCMD_CFB_REPTATION_MOVE_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/mcMoves/base/CfbEndBase.h>   // base class
#include <mcMd/chemistry/MaskPolicy.h>      // member
#include <util/containers/DArray.h>         // members
#include <util/accumulators/AutoCorr.h>

namespace McMd
{

   using namespace Util;

   class McSystem;
   class Molecule;

   class CfbReptationMove : public CfbEndBase
   {
   
   public:
   
      CfbReptationMove(McSystem& system);
   
      virtual void readParameters(std::istream& in);
   
      virtual void loadParameters(Serializable::IArchive &ar);
   
      virtual void save(Serializable::OArchive &ar);
   
      virtual bool move();

      virtual void output();
   
   private:
   
      int speciesId_;
  
      int bondTypeId_;
  
      int nJunction_;

      DArray<int>  junctions_;

      DArray<int>  lTypes_;

      DArray<int>  uTypes_;

      MaskPolicy maskPolicy_;

      int hasAutoCorr_;

      int autoCorrCapacity_;

      std::string outputFileName_;

      DArray<AutoCorr<double, double> > acceptedStepsAccumulators_;

      double junctionFactor(Molecule* molPtr, int sign);

   };

}      
#endif