rpg/scft/iterator/ExtGenFilm.h

#ifndef RPG_EXT_GEN_FILM_H
#define RPG_EXT_GEN_FILM_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/System.h>
#include <prdc/iterator/ExtGenFilmBase.h>  // Base class
 
namespace Pscf {
namespace Rpg {
 
   using namespace Util;
   using namespace Pscf::Prdc;
 
   template <int D>
   class ExtGenFilm : public ExtGenFilmBase<D>
   {
 
   public:
 
      ExtGenFilm();
      
      ExtGenFilm(System<D>& sys);
 
      ~ExtGenFilm();
 
      bool isGenerated() const;
 
      double stressTerm(int paramId) const;
 
      using ExtGenFilmBase<D>::isAthermal;
      using ExtGenFilmBase<D>::chiBottom;
      using ExtGenFilmBase<D>::chiTop;
      using ExtGenFilmBase<D>::normalVecId;
      using ExtGenFilmBase<D>::interfaceThickness;
      using ExtGenFilmBase<D>::excludedThickness;
 
   protected:
 
      void allocate();
 
      void generate();
 
      System<D> & system();
      System<D> const & system() const;
 
      std::string systemSpaceGroup() const;
 
      RealVec<D> systemLatticeVector(int id) const;
 
      int systemNMonomer() const;
 
      void maskNormalVecId();
 
      void maskInterfaceThickness();
 
      using ExtGenFilmBase<D>::normalVecCurrent_;
      using ExtGenFilmBase<D>::chiBottomCurrent_;
      using ExtGenFilmBase<D>::chiTopCurrent_;
      using ParamComposite::setClassName;
 
   private:
 
      System<D>* sysPtr_;
 
      double interfaceThickness_;
 
   };
 
   // Inline member functions
 
   // Check whether the field has been generated
   template <int D>
   inline bool ExtGenFilm<D>::isGenerated() const
   {  return system().h().hasData(); }
 
   // Get parent System by non-const reference.
   template <int D>
   System<D>& ExtGenFilm<D>::system() 
   {  return *sysPtr_; }
 
   // Get parent System by const reference.
   template <int D>
   System<D> const & ExtGenFilm<D>::system() const
   {  return *sysPtr_; }
 
   // Get space group name for this system.
   template <int D>
   inline std::string ExtGenFilm<D>::systemSpaceGroup() const
   {  return system().domain().groupName(); }
 
   // Get one of the lattice vectors for this system.
   template <int D>
   inline RealVec<D> ExtGenFilm<D>::systemLatticeVector(int id) const
   {  return system().domain().unitCell().rBasis(id); }
 
   // Get the number of monomer species for this system.
   template <int D>
   inline int ExtGenFilm<D>::systemNMonomer() const
   {  return system().mixture().nMonomer(); }
 
   #ifndef RPG_EXT_GEN_FILM_TPP
   extern template class ExtGenFilm<1>;
   extern template class ExtGenFilm<2>;
   extern template class ExtGenFilm<3>;
   #endif
 
} // namespace Rpg
} // namespace Pscf
 
#endif