rpc/scft/sweep/Sweep.h

#ifndef RPC_SWEEP_H
#define RPC_SWEEP_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 <pscf/sweep/SweepTmpl.h>          // base class template
#include <rpc/scft/sweep/BasisFieldState.h>    // base class template parameter
#include "SweepParameter.h" // parameter class
#include <util/global.h>
 
namespace Pscf {
namespace Rpc {
 
   using namespace Util;
 
   template <int D>
   class Sweep : public SweepTmpl< BasisFieldState<D> >
   {
 
   public:
 
      Sweep();
 
      Sweep(System<D>& system);
 
      ~Sweep();
 
      void setSystem(System<D>& system);
 
      virtual void readParameters(std::istream& in);
 
      // Public members inherited from base class template SweepTmpl
      using SweepTmpl< BasisFieldState<D> >::addParameterTypes;
      using SweepTmpl< BasisFieldState<D> >::addParameterType;
      using SweepTmpl< BasisFieldState<D> >::historyCapacity;
      using SweepTmpl< BasisFieldState<D> >::historySize;
      using SweepTmpl< BasisFieldState<D> >::nAccept;
      using SweepTmpl< BasisFieldState<D> >::state;
      using SweepTmpl< BasisFieldState<D> >::s;
      using SweepTmpl< BasisFieldState<D> >::c;
 
   protected:
 
      // Protected member functions
 
      virtual void checkAllocation(BasisFieldState<D>& state);
 
      virtual void setup();
 
      virtual void setParameters(double sNew) = 0;
 
      virtual void extrapolate(double sNew);
 
      virtual int solve(bool isContinuation);
 
      virtual void reset();
 
      virtual void getSolution();
 
      virtual void cleanup();
 
      bool hasSystem()
      {  return (systemPtr_ != 0); }
 
      System<D>& system()
      {  return *systemPtr_; }
 
      // Protected variables writeCGrid_, writeCBasis_ and writeWGrid_
      // control which converged fields will be written to files after
      // solution of each SCFT solution within a sweep.
 
      bool writeCRGrid_;
 
      bool writeCBasis_;
 
      bool writeWRGrid_;
 
      // Protected member variables inherited from base classes
      using SweepTmpl< BasisFieldState<D> >::ns_;
      using SweepTmpl< BasisFieldState<D> >::baseFileName_;
      using SweepTmpl< BasisFieldState<D> >::initialize;
      using SweepTmpl< BasisFieldState<D> >::setCoefficients;
      using ParamComposite::readOptional;
 
   private:
 
      BasisFieldState<D> trial_;
 
      FSArray<double, 6> unitCellParameters_;
 
      std::ofstream logFile_;
 
      System<D>* systemPtr_;
 
      void outputSolution();
 
      void outputSummary(std::ostream&);
 
   };
 
} // namespace Rpc
} // namespace Pscf
#endif