AmbdInteraction.h

#ifndef PSCF_AMBD_INTERACTION_H
#define PSCF_AMBD_INTERACTION_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/containers/DMatrix.h>       // member
 
// Forward declaration
namespace Pscf {
   class Interaction;
}
 
namespace Pscf {
 
   using namespace Util;

   class AmbdInteraction 
   {
 
   public:

      AmbdInteraction();

      virtual ~AmbdInteraction();

      void setNMonomer(int nMonomer);

      void update(Interaction const & interaction);

      double chi(int i, int j) const;

      double chiInverse(int i, int j) const;
  
      double p(int i, int j) const; 
  
      double sumChiInverse() const;

      int nMonomer() const;
 
   private:
 
      // Symmetric matrix of interaction parameters (local copy).
      DMatrix<double> chi_;
 
      // Inverse of matrix chi_.
      DMatrix<double> chiInverse_;
 
      // Idempotent matrix P used in residual definition.
      DMatrix<double> p_;
 
      // Sum of elements of matrix chiInverse_
      double sumChiInverse_;

      int nMonomer_;

      bool isAllocated_;
 
   };
 
   // Inline function
 
   inline int AmbdInteraction::nMonomer() const
   {  return nMonomer_; }
 
   inline double AmbdInteraction::chi(int i, int j) const
   {  return chi_(i, j); }
 
   inline double AmbdInteraction::chiInverse(int i, int j) const
   {  return chiInverse_(i, j); }
 
   inline double AmbdInteraction::p(int i, int j) const
   {  return p_(i, j); }
 
   inline double AmbdInteraction::sumChiInverse() const
   {  return sumChiInverse_; }
 
} // namespace Pscf
#endif