MaskGenFilmBase.h

#ifndef PRDC_MASK_GEN_FILM_BASE_H
#define PRDC_MASK_GEN_FILM_BASE_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 <prdc/crystal/UnitCell.h>         // Function parameter
#include <pscf/iterator/FieldGenerator.h>  // Base class
#include <pscf/math/RealVec.h>             // container
#include <iostream>
#include <string>
 
namespace Pscf {
namespace Prdc {
 
   using namespace Util;
 
   template <int D>
   class MaskGenFilmBase : public FieldGenerator
   {
 
   public:
 
      MaskGenFilmBase();
 
      ~MaskGenFilmBase();
 
      void readParameters(std::istream& in);
 
      void checkCompatibility();
 
      bool updateNeeded() const;
 
      int normalVecId() const;
 
      double interfaceThickness() const;
 
      double excludedThickness() const;
 
      double fBulk() const;
 
      bool hasFBulk() const;
 
      bool isGenerated() const = 0;
 
      virtual double stressTerm(int paramId) const = 0;
 
      virtual double modifyStress(int paramId, double stress) const = 0;
 
   protected:
 
      void checkSpaceGroup() const;
 
      FSArray<bool,6> modifyFlexibleParams(FSArray<bool,6> current,
                                           UnitCell<D> const & cell) const;
 
      void checkLatticeVectors() const;
 
      virtual void allocate() = 0;
 
      virtual void generate() = 0;
 
      virtual void setFlexibleParams() const = 0;
 
      virtual std::string systemSpaceGroup() const = 0;
 
      virtual RealVec<D> systemLatticeVector(int id) const = 0;
 
      RealVec<D> normalVecCurrent_;
 
      double fBulk_;
 
      using ParamComposite::read;
      using ParamComposite::readOptional;
 
   private:
 
      int normalVecId_;
 
      double interfaceThickness_;
 
      double excludedThickness_;
 
      bool hasFBulk_;
 
      using FieldGenerator::type_;
 
   };
 
   // Inline member functions
 
   // Get value of normalVecId.
   template <int D> 
   inline int MaskGenFilmBase<D>::normalVecId() const
   {  return normalVecId_; }
 
   // Get value of interfaceThickness.
   template <int D> 
   inline double MaskGenFilmBase<D>::interfaceThickness() const
   {  return interfaceThickness_; }
 
   // Get value of excludedThickness.
   template <int D> 
   inline double MaskGenFilmBase<D>::excludedThickness() const
   {  return excludedThickness_; }
 
   // Get value of fBulk.
   template <int D> 
   inline double MaskGenFilmBase<D>::fBulk() const
   {  return fBulk_; }
 
   // Check whether a value of fBulk was provided.
   template <int D> 
   inline bool MaskGenFilmBase<D>::hasFBulk() const
   {  return hasFBulk_; }
 
   #ifndef PRDC_MASK_GEN_FILM_BASE_TPP
   // Suppress implicit instantiation
   extern template class MaskGenFilmBase<1>;
   extern template class MaskGenFilmBase<2>;
   extern template class MaskGenFilmBase<3>;
   #endif
 
}
}
#endif