FhMolecule.h

#ifndef PSCF_FH_MOLECULE_H
#define PSCF_FH_MOLECULE_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/floryHuggins/FhClump.h>   // member
#include <util/containers/Pair.h>        // member
#include <util/containers/DArray.h>      // member
 
namespace Pscf {
 
   using namespace Util;

   class FhMolecule : public Util::ParamComposite
   {
 
   public:

      FhMolecule();

      ~FhMolecule();

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

      void setNClump(int nClump);

      void computeSize();



      FhClump& clump(int id);

      FhClump const & clump(int id) const;

      int nClump() const;

      double size() const;

 
   private:

      DArray<FhClump> clumps_;

      int nClump_;

      double size_;

      bool hasSize_;
 
   };
 
   /*
   * Number of clumps.
   */
   inline 
   int FhMolecule::nClump() const
   {  return nClump_; }
 
   /*
   * Total size of all clumps = volume / reference volume
   */
   inline 
   double FhMolecule::size() const
   {
      UTIL_CHECK(hasSize_);
      return size_;
   }
 
   /*
   * Get a specified FhClump (non-constant reference)
   */
   inline 
   FhClump& FhMolecule::clump(int id)
   {  return clumps_[id]; }
 
   /*
   * Get a specified FhClump (constant reference)
   */
   inline 
   const FhClump& FhMolecule::clump(int id) const
   {  return clumps_[id]; }
 
}
#endif