fts/montecarlo/McMove.h

#ifndef RP_MC_MOVE_H
#define RP_MC_MOVE_H
 
/*
* PSCF - Polymer Self-Consistent Field
*
* Copyright 2015 - 2025, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include <util/param/ParamComposite.h>  // base class
#include <util/misc/Timer.h>            // member
#include <util/global.h>
 
// Forward declaration
namespace Util { class Random; }
 
namespace Pscf {
namespace Rp {
 
   using namespace Util;

   template <int D, class T>
   class McMove : public ParamComposite
   {
 
   public:

      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:

      McMove(typename T::McSimulator& simulator);

      ~McMove() = default;

      void incrementNAttempt();

      void incrementNAccept();

      void incrementNFail();

      void outputTimerData(std::ostream& out);

      typename T::System& system();

      typename T::System const & system() const;

      typename T::McSimulator& simulator();

      typename T::McSimulator const & simulator() const;

      Random& random();

      typename T::VecRandom& vecRandom();

      void readProbability(std::istream& in);

      virtual void attemptMove()
      {};

      Timer attemptMoveTimer_;
      Timer compressorTimer_;
      Timer componentTimer_;
      Timer hamiltonianTimer_;
      Timer decisionTimer_;
      Timer totalTimer_;
 
   private:

      typename T::McSimulator* simulatorPtr_;

      typename T::System* systemPtr_;

      Random* randomPtr_;

      typename T::VecRandom* vecRandomPtr_;

      double probability_;

      long nAttempt_;

      long nAccept_;

      long nFail_;
 
   };
 
   // Public inline methods
 
   /*
   * Return number of moves that have been attempted.
   */
   template <int D, class T> inline
   long McMove<D,T>::nAttempt() const
   {  return nAttempt_; }
 
   /*
   * Return number of moves that have been accepted.
   */
   template <int D, class T> inline
   long McMove<D,T>::nAccept() const
   {  return nAccept_; }
 
   /*
   * Return number of moves that fail to converge.
   */
   template <int D, class T> inline
   long McMove<D,T>::nFail() const
   {  return nFail_; }
 
   // Protected inline methods
 
   /*
   * Increment the number of attempted moves.
   */
   template <int D, class T>
   inline void McMove<D,T>::incrementNAttempt()
   {  ++nAttempt_; }
 
   /*
   * Increment the number of accepted moves.
   */
   template <int D, class T>
   inline void McMove<D,T>::incrementNAccept()
   {  ++nAccept_; }
 
   /*
   * Increment the number of fail moves.
   */
   template <int D, class T>
   inline void McMove<D,T>::incrementNFail()
   {  ++nFail_; }
 
   /*
   * Get parent System object (non-const ref).
   */
   template <int D, class T> inline
   typename T::System& McMove<D,T>::system()
   {  return *systemPtr_; }
 
   /*
   * Get parent System object (const ref).
   */
   template <int D, class T> inline
   typename T::System const & McMove<D,T>::system() const
   {  return *systemPtr_; }
 
   /*
   * Get parent McSimulator object (non-const ref).
   */
   template <int D, class T> inline
   typename T::McSimulator& McMove<D,T>::simulator()
   {  return *simulatorPtr_; }
 
   /*
   * Get parent McSimulator object (const ref).
   */
   template <int D, class T> inline
   typename T::McSimulator const & McMove<D,T>::simulator() const
   {  return *simulatorPtr_; }
 
   /*
   * Get the scalar andom number generator.
   */
   template <int D, class T> inline
   Random& McMove<D,T>::random()
   {  return *randomPtr_; }
 
   /*
   * Get the vector random number generator.
   */
   template <int D, class T> inline
   typename T::VecRandom& McMove<D,T>::vecRandom()
   {  return *vecRandomPtr_; }
 
   /*
   * Get the probability.
   */
   template <int D, class T> inline
   double McMove<D,T>::probability() const
   {  return probability_; }
 
   /*
   * Set the probability.
   */
   template <int D, class T> inline
   void McMove<D,T>::setProbability(double probability)
   {  probability_ = probability; }
 
}
}
#endif