MixtureBase.h

#ifndef PSCF_MIXTURE_BASE_H
#define PSCF_MIXTURE_BASE_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/Monomer.h>
#include <util/containers/DArray.h>
 
namespace Pscf
{
 
   template <typename WT> class PolymerSpecies;
   template <typename WT> class SolventSpecies;
 
   using namespace Util;

   template <typename WT>
   class MixtureBase 
   {
 
   public:

      MixtureBase();

      virtual ~MixtureBase() = default;

      void setVmonomer(double vMonomer);


      int nMonomer() const;

      int nPolymer() const;

      int nSolvent() const;

      int nBlock() const;

      double vMonomer() const;

      bool isCanonical() const;


      Monomer const & monomer(int id) const;

      virtual
      PolymerSpecies<WT> const & polymerSpecies(int id) const = 0;

      virtual
      SolventSpecies<WT> const & solventSpecies(int id) const = 0;

 
   protected:

      Monomer& monomer(int id);

      DArray<Monomer> monomers_;

      int nMonomer_; 

      int nPolymer_;

      int nSolvent_;

      int nBlock_;

      double vMonomer_;
 
   };
 
   // Inline public member functions
 
   template <typename WT> inline 
   int MixtureBase<WT>::nMonomer() const
   {  return nMonomer_; }
 
   template <typename WT> inline 
   int MixtureBase<WT>::nPolymer() const
   {  return nPolymer_; }
 
   template <typename WT> inline 
   int MixtureBase<WT>::nSolvent() const
   {  return nSolvent_; }
 
   template <typename WT> inline 
   int MixtureBase<WT>::nBlock() const
   {  return nBlock_; }
 
   template <typename WT> inline 
   double MixtureBase<WT>::vMonomer() const
   {  return vMonomer_; }
 
   template <typename WT> inline 
   Monomer const & MixtureBase<WT>::monomer(int id) const
   {  
      UTIL_CHECK(id < nMonomer_);
      return monomers_[id]; 
   }
 
   // Inline protected member function
 
   template <typename WT> inline 
   Monomer& MixtureBase<WT>::monomer(int id)
   {  
      UTIL_CHECK(id < nMonomer_);
      return monomers_[id]; 
   }
 
   extern template class MixtureBase<double>;
 
}
#endif