rpg/solvers/Solvent.h

#ifndef RPG_SOLVENT_H
#define RPG_SOLVENT_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 <pscf/chem/SolventSpecies.h>   // base class
#include <rpg/solvers/Propagator.h>     // typedefs
#include <prdc/cuda/RField.h>           // member variable
 
namespace Pscf {
   template <int D> class Mesh;
}
 
namespace Pscf { 
namespace Rpg { 
 
   using namespace Util;
   using namespace Pscf::Prdc;
   using namespace Pscf::Prdc::Cuda;

   template <int D>
   class Solvent : public SolventSpecies
   {
   public:

      Solvent();
   
      ~Solvent();

      void associate(Mesh<D> const & mesh);

      void allocate();
   
      void compute(RField<D> const & wField, double phiTot = 1.0);

      RField<D> const & cField() const;
  
      // Inherited public accessor functions 
      using Pscf::Species::phi;
      using Pscf::Species::mu;
      using Pscf::Species::q;
      using Pscf::Species::ensemble;
      using Pscf::SolventSpecies::monomerId;
      using Pscf::SolventSpecies::size;
 
   protected:
 
      #if 0
      // Inherited protected data members
      using Pscf::Species::phi_;
      using Pscf::Species::mu_;
      using Pscf::Species::q_;
      using Pscf::Species::ensemble_;
      using Pscf::SolventSpecies::monomerId_;
      using Pscf::SolventSpecies::size_;
      #endif
   
   private:

      RField<D> cField_;
 
      Mesh<D> const *  meshPtr_;
 
   };
 
   /*
   * Associate this object with a mesh.
   */
   template <int D>
   inline void Solvent<D>::associate(Mesh<D> const & mesh)
   {
      UTIL_CHECK(mesh.size() > 1);
      meshPtr_ = &mesh;
   }
 
   /*
   * Allocate internal data containers. 
   */
   template <int D>
   inline void Solvent<D>::allocate()
   {  
      UTIL_CHECK(meshPtr_);
      cField_.allocate(meshPtr_->dimensions()); 
   }
 
   /*
   * Get monomer concentration field for this solvent.
   */
   template <int D>
   inline RField<D> const & Solvent<D>::cField() const
   {  return cField_;  }
 
}
} 
#endif