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 <util/global.h>
 
namespace Pscf {
 
   using namespace Util;

   class Species : public ParamComposite
   {
   public:

      enum Ensemble {Unknown, Closed, Open};

      Species();

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

      double phi() const;

      double mu() const;

      double q() const;

      Ensemble ensemble() const;

      void setPhi(double phi);

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

      double phi_;

      double mu_;

      double q_;

      Ensemble ensemble_;
 
   };
 
   /*
   * Get species volume fraction.
   */
   inline double Species::phi() const
   {  return phi_; }
 
   /*
   * Get species chemical potential.
   */
   inline double Species::mu() const
   {  return mu_; }
 
   /*
   * Get species partition function q.
   */
   inline double Species::q() const
   {  return q_; }
 
   /*
   * Get statistical ensemble for this species (open or closed).
   */
   inline Species::Ensemble Species::ensemble() const
   {  return ensemble_; }

   std::istream& operator >> (std::istream& in, Species::Ensemble& policy);

   std::ostream& operator << (std::ostream& out, Species::Ensemble policy);

   template <class Archive>
   void serialize(Archive& ar, Species::Ensemble& policy,
                  const unsigned int version)
   {  serializeEnum(ar, policy, version); }
 
}
#endif