ddMd/potentials/bond/BondPotential.h

#ifndef DDMD_BOND_POTENTIAL_H
#define DDMD_BOND_POTENTIAL_H

#include <ddMd/potentials/Potential.h>        // base class
#include <simp/boundary/Boundary.h>           // typedef

#include <iostream>

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010 - 2017, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/

namespace DdMd
{

   class Simulation;
   template <int N> class GroupStorage;

   using namespace Util;
   using namespace Simp;

   class BondPotential  : public Potential
   {

   public:

      BondPotential(Simulation& simulation);

      BondPotential();

      ~BondPotential();

      void associate(Boundary& boundary, GroupStorage<2>& storage);

      virtual void setNBondType(int nBondType) = 0;
  


      virtual double bondEnergy(double rsq, int bondTypeId) const = 0;

      virtual double bondForceOverR(double rsq, int bondTypeId) const = 0;

      virtual double 
      randomBondLength(Random* random, double beta, int bondTypeId) const = 0;

      virtual void set(std::string name, int bondTypeId, double value) = 0;

      virtual double get(std::string name, int bondTypeId) const = 0;

      virtual std::string interactionClassName() const = 0;


   protected:

      Boundary& boundary() const;

      GroupStorage<2>& storage() const;

   private:

      // Pointer to associated Boundary object.
      Boundary* boundaryPtr_;

      // Pointer to associated GroupStorage<2> object.
      GroupStorage<2>* storagePtr_;

   };

   inline Boundary& BondPotential::boundary() const
   { return *boundaryPtr_; }

   inline GroupStorage<2>& BondPotential::storage() const
   { return *storagePtr_; }

}
#endif