rpg/fts/montecarlo/McSimulator.h

#ifndef RPG_MC_SIMULATOR_H
#define RPG_MC_SIMULATOR_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 <rpg/fts/simulator/Simulator.h>                   // member
#include <rpg/fts/montecarlo/McMoveManager.h>        // member
#include <rpg/fts/analyzer/AnalyzerManager.h>    // member
 
namespace Pscf {
namespace Rpg {
 
   using namespace Util;
   using namespace Pscf::Prdc::Cuda;
 
   template <int D> class McMove;
   template <int D> class TrajectoryReader;
 
   template <int D>
   class McSimulator : public Simulator<D>
   {
 
   public:
 
      McSimulator(System<D>& system);
 
      ~McSimulator();
 
      virtual void readParameters(std::istream &in);
 
 
      void simulate(int nStep);
 
      virtual void analyze(int min, int max,
                           std::string classname,
                           std::string filename);
 
      virtual void outputTimers(std::ostream& out);
 
      virtual void clearTimers();
      
      bool needsCc();
      
      bool needsDc();
 
 
      bool hasMcMoves() const;
 
      McMoveManager<D>& mcMoveManager();
 
      AnalyzerManager<D>& analyzerManager();
 
      Factory<TrajectoryReader<D>>& trajectoryReaderFactory();
 
 
      // Inherited public functions
 
      using Simulator<D>::allocate;
      using Simulator<D>::analyzeChi;
      using Simulator<D>::computeWc;
      using Simulator<D>::computeCc;
      using Simulator<D>::computeDc;
      using Simulator<D>::wc;
      using Simulator<D>::hasWc;
      using Simulator<D>::clearData;
 
      using Simulator<D>::hasHamiltonian;
      using Simulator<D>::computeHamiltonian;
      using Simulator<D>::hamiltonian;
      using Simulator<D>::idealHamiltonian;
      using Simulator<D>::fieldHamiltonian;
 
      using Simulator<D>::system;
      using Simulator<D>::random;
      using Simulator<D>::cudaRandom;
      using Simulator<D>::hasCompressor;
      using Simulator<D>::compressor;
      using Simulator<D>::hasPerturbation;
      using Simulator<D>::perturbation;
      using Simulator<D>::hasRamp;
      using Simulator<D>::ramp;
 
      using Simulator<D>::saveState;
      using Simulator<D>::restoreState;
      using Simulator<D>::clearState;
      using Simulator<D>::outputMdeCounter;
 
   protected:
 
      // Inherited protected functions
 
      using ParamComposite::setClassName;
      using ParamComposite::read;
      using ParamComposite::readOptional;
      using ParamComposite::readParamComposite;
      using ParamComposite::readParamCompositeOptional;
 
      using Simulator<D>::readRandomSeed;
      using Simulator<D>::readCompressor;
      using Simulator<D>::perturbationFactory;
      using Simulator<D>::readPerturbation;
      using Simulator<D>::setPerturbation;
      using Simulator<D>::rampFactory;
      using Simulator<D>::readRamp;
      using Simulator<D>::setRamp;
 
      // Inherited protected data members
 
      using Simulator<D>::wc_;
      using Simulator<D>::hasWc_;
      using Simulator<D>::hamiltonian_;
      using Simulator<D>::idealHamiltonian_;
      using Simulator<D>::fieldHamiltonian_;
      using Simulator<D>::hasHamiltonian_;
      using Simulator<D>::iStep_;
      using Simulator<D>::iTotalStep_;
      using Simulator<D>::state_;
 
   private:
 
      McMoveManager<D> mcMoveManager_;
 
      AnalyzerManager<D> analyzerManager_;
 
      Factory< TrajectoryReader<D> >* trajectoryReaderFactoryPtr_;
      
      // Private member functions
 
      void setup(int nStep);
 
   };
 
   // Does this McSimulator have any MC moves defined?
   template <int D>
   inline bool McSimulator<D>::hasMcMoves() const
   {  return (bool)(mcMoveManager_.size() > 0); }
 
   // Get the Monte-Carlo move manager.
   template <int D>
   inline McMoveManager<D>& McSimulator<D>::mcMoveManager()
   {  return mcMoveManager_; }
 
   // Get the Monte-Carlo analyzer manager.
   template <int D>
   inline AnalyzerManager<D>& McSimulator<D>::analyzerManager()
   {  return analyzerManager_; }
 
   // Get the TrajectoryReaderfactory
   template <int D>
   inline 
   Factory<TrajectoryReader<D> >& McSimulator<D>::trajectoryReaderFactory()
   {
      UTIL_ASSERT(trajectoryReaderFactoryPtr_);
      return *trajectoryReaderFactoryPtr_;
   }
   
   // Return the simulations whether needs to store Cc fields
   template <int D>
   inline bool McSimulator<D>::needsCc()
   {
      return state_.needsCc;
   }
   
   // Return the simulations whether needs to store Dc fields
   template <int D>
   inline bool McSimulator<D>::needsDc()
   {
      return state_.needsDc;
   }
 
   #ifndef RPG_MC_SIMULATOR_TPP
   // Suppress implicit instantiation
   extern template class McSimulator<1>;
   extern template class McSimulator<2>;
   extern template class McSimulator<3>;
   #endif
 
}
}
#endif