Species.h

#ifndef PSCF_SPECIES_H
#define PSCF_SPECIES_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 <util/param/ParamComposite.h>   // base class
#include <pscf/chem/Ensemble.h>          // member
 
namespace Pscf {
 
   using namespace Util;

   template <typename WT = double>
   class Species : public ParamComposite
   {
   public:

      Species();

      virtual ~Species() = default;

      virtual void readParameters(std::istream& in);

      WT phi() const;

      WT mu() const;

      WT q() const;

      Ensemble ensemble() const;

      void setPhi(double phi);

      void setMu(double mu);
 
   protected:
 
      void setQ(WT q);
 
   private:

      WT phi_;

      WT mu_;

      WT q_;

      double phiMu_;

      Ensemble ensemble_;
 
   };
 
   /*
   * Get species volume fraction.
   */
   template <typename WT>
   inline WT Species<WT>::phi() const
   {  return phi_; }
 
   /*
   * Get species chemical potential.
   */
   template <typename WT>
   inline WT Species<WT>::mu() const
   {  return mu_; }
 
   /*
   * Get species partition function q.
   */
   template <typename WT>
   inline WT Species<WT>::q() const
   {  return q_; }
 
   /*
   * Get statistical ensemble for this species (open or closed).
   */
   template <typename WT>
   inline Ensemble Species<WT>::ensemble() const
   {  return ensemble_; }
 
   // Explicit instantiation declaration
   extern template class Species<double>;
 
}
#endif