MixtureModifierReal.tpp

#ifndef PRDC_MIXTURE_MODIFIER_REAL_TPP
#define PRDC_MIXTURE_MODIFIER_REAL_TPP
 
/*
* 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 "MixtureModifierReal.h"
#include <pscf/chem/Monomer.h>
 
namespace Pscf {
namespace Prdc {
 
   /*
   * Constructor
   */
   template <class MT>
   MixtureModifierReal<MT>::MixtureModifierReal()
    : mixturePtr_(nullptr)
   {}
 
   /*
   * Destructor
   */
   template <class MT>
   MixtureModifierReal<MT>::~MixtureModifierReal()
   {}
 
   /*
   * Create an association with a mixture.
   */
   template <class MT>
   void MixtureModifierReal<MT>::associate(MT& mixture)
   {
      UTIL_CHECK(!mixturePtr_);  
      mixturePtr_ = &mixture; 
   }
 
   // Parameter Modifiers
 
   /*
   * Set statistical segment length for one monomer type.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setKuhn(int monomerId, double kuhn)
   {  mixture().setKuhn(monomerId, kuhn); }
 
   /*
   * Set volume fraction for a polymer.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setPhiPolymer(int polymerId, 
                                               double phi)
   {  mixture().polymer(polymerId).setPhi(phi); }
 
   /*
   * Set chemical potential for a polymer.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setMuPolymer(int polymerId, 
                                               double mu)
   {  mixture().polymer(polymerId).setMu(mu); }
 
   /*
   * Set the length of a polymer block.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setBlockLength(int polymerId, 
                                                int blockId,
                                                double length)
   {  mixture().polymer(polymerId).block(blockId).setLength(length); }
 
   /*
   * Set the volume fraction for a solvent.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setPhiSolvent(int solventId, 
                                               double phi)
   {  mixture().solvent(solventId).setPhi(phi); }
 
   /*
   * Set the chemical potential for a solvent species.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setMuSolvent(int solventId, 
                                              double mu)
   {  mixture().solvent(solventId).setMu(mu); }
 
   /*
   * Set the size of solvent species.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setSolventSize(int solventId, 
                                                double size)
   {  mixture().solvent(solventId).setSize(size); }
 
   /*
   * Set the monomer reference volume for the mixture.
   */
   template <class MT>
   void MixtureModifierReal<MT>::setVMonomer(double vMonomer)
   {  mixture().setVmonomer(vMonomer); }
 
   // Other public non-const functions
 
   /*
   * Clear all data that depends on the unit cell parameters.
   */
   template <class MT>
   void MixtureModifierReal<MT>::clearUnitCellData()
   {  mixture().clearUnitCellData(); }
 
   // Private memmber function
 
   /*
   * Get the associated mixture by reference
   */
   template <class MT>
   MT& MixtureModifierReal<MT>::mixture()
   {
      UTIL_CHECK(mixturePtr_);
      return *mixturePtr_;  
   }
 
} // namespace Prdc
} // namespace Pscf
#endif