SystemMove.h

#ifndef MCMD_SYSTEM_MOVE_H
#define MCMD_SYSTEM_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/McMove.h>            // base class
#include <simp/ensembles/EnergyEnsemble.h>  // inline function
#include <simp/boundary/Boundary.h>         // typedef

namespace McMd
{

   using namespace Util;
   using namespace Simp;

   class McSystem;

   class SystemMove : public McMove
   {
   
   public:
   
      SystemMove(McSystem& system);
   
      virtual ~SystemMove();
   
   protected:

      McSystem& system();

      Boundary& boundary();

      EnergyEnsemble& energyEnsemble();

      double boltzmann(double energy);
  
   private:
 
      McSystem  *systemPtr_;

      Boundary  *boundaryPtr_;

      EnergyEnsemble*  isothermalPtr_;
 
   };

   // Inline methods

   /*
   * Get parent McSystem.
   */
   inline McSystem& SystemMove::system()
   {  return *systemPtr_; }

   /*
   * Get Boundary object of parent McSystem.
   */
   inline Boundary& SystemMove::boundary()
   {  return *boundaryPtr_; }

   /*
   * Get EnergyEnsemble object of parent McSystem.
   */
   inline EnergyEnsemble& SystemMove::energyEnsemble()
   {  return *isothermalPtr_; }

   /*
   * Boltzmann weight associated with an energy difference.
   */
   inline double SystemMove::boltzmann(double energy)
   {  return exp(-isothermalPtr_->beta()*energy); }
   
}
#endif