rpc/fts/montecarlo/McMove.h

#ifndef RPC_MC_MOVE_H
#define RPC_MC_MOVE_H
 
/*
* PSCF - Polymer Self-Consistent Field Theory
*
* Copyright 2016 - 2022, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
 
#include <util/param/ParamComposite.h>
#include <util/random/Random.h>
#include <util/global.h>
#include <util/misc/Timer.h>
 
namespace Pscf {
namespace Rpc
{
 
   using namespace Util;
 
   template <int D> class System;
   template <int D> class McSimulator;
 
   template <int D>
   class McMove : public ParamComposite
   {
 
   public:
 
      McMove(McSimulator<D>& simulator);
 
      virtual ~McMove();
 
      virtual void readParameters(std::istream &in);
 
      void setProbability(double probability);
 
      virtual void setup();
 
      virtual bool move();
      
      virtual bool needsCc()
      {  return false; }
      
      virtual bool needsDc()
      { return false; }
 
      virtual void outputTimers(std::ostream& out);
      
      virtual void clearTimers();
 
      // Accessor Functions
 
      double probability() const;
 
      long nAttempt() const;
 
      long nAccept() const;
      
      long nFail() const;
      
      virtual void output();
 
   protected:
 
      void incrementNAttempt();
 
      void incrementNAccept();
      
      void incrementNFail();
      
      System<D>& system();
 
      McSimulator<D>& simulator();
 
      Random& random();
 
      void readProbability(std::istream& in);
 
      virtual void attemptMove() 
      {};
 
      Timer attemptMoveTimer_;
      Timer compressorTimer_;
      Timer componentTimer_;
      Timer hamiltonianTimer_;
      Timer decisionTimer_;
      Timer totalTimer_;
 
   private:
 
      McSimulator<D>* simulatorPtr_;
 
      System<D>* systemPtr_;
 
      Random  *randomPtr_;
 
      double  probability_;
 
      long  nAttempt_;
 
      long  nAccept_;
      
      long  nFail_;
      
   };
 
   // Public inline methods
 
   /*
   * Return number of moves that have been attempted.
   */
   template <int D>
   inline long McMove<D>::nAttempt() const
   {  return nAttempt_; }
 
   /*
   * Return number of moves that have been accepted.
   */
   template <int D>
   inline long McMove<D>::nAccept() const
   {  return nAccept_; }
   
   /*
   * Return number of moves that fail to converge.
   */
   template <int D>
   inline long McMove<D>::nFail() const
   {  return nFail_; }
 
   // Protected inline methods
 
   /*
   * Increment the number of attempted moves.
   */
   template <int D>
   inline void McMove<D>::incrementNAttempt()
   {  ++nAttempt_; }
 
   /*
   * Increment the number of accepted moves.
   */
   template <int D>
   inline void McMove<D>::incrementNAccept()
   {  ++nAccept_; }
   
   /*
   * Increment the number of fail moves.
   */
   template <int D>
   inline void McMove<D>::incrementNFail()
   {  ++nFail_; }
   
   /*
   * Get parent System object.
   */
   template <int D>
   inline System<D>& McMove<D>::system()
   {  return *systemPtr_; }
 
   /*
   * Get parent McSimulator object.
   */
   template <int D>
   inline McSimulator<D>& McMove<D>::simulator()
   {  return *simulatorPtr_; }
 
   /*
   * Get Random number generator.
   */
   template <int D>
   inline Random& McMove<D>::random()
   {  return *randomPtr_; }
 
   /*
   * Get the probability.
   */
   template <int D>
   inline double McMove<D>::probability() const
   {  return probability_; }
 
   /*
   * Set the probability.
   */
   template <int D>
   inline void McMove<D>::setProbability(double probability)
   {  probability_ = probability; }
 
   #ifndef RPC_MC_MOVE_TPP
   // Suppress implicit instantiation
   extern template class McMove<1>;
   extern template class McMove<2>;
   extern template class McMove<3>;
   #endif
 
}
}
#endif