CfbReptateMove.h

#ifndef MCMD_CFB_REPTATE_MOVE_H
#define MCMD_CFB_REPTATE_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/linear/CfbLinear.h>   // base class
#include <mcMd/chemistry/MaskPolicy.h>       // member
#include <util/containers/DArray.h>          // member template
#include <util/accumulators/AutoCorr.h>

namespace McMd
{

   using namespace Util;

   class McSystem;
   class Molecule;

   class CfbReptateMove : public CfbLinear
   {

   public:

      CfbReptateMove(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 bondTypeId_;

      int nJunction_;

      DArray<int> junctions_;

      DArray<int> lTypes_;

      DArray<int> uTypes_;

      MaskPolicy maskPolicy_;

      bool hasAutoCorr_;

      int autoCorrCapacity_;

      std::string outputFileName_;

      DArray<AutoCorr<double, double> > accumulators_;

      double junctionFactor(Molecule* molPtr, int sign);

   };

}
#endif