ddMd/potentials/angle/AnglePotential.h

#ifndef DDMD_ANGLE_POTENTIAL_H
#define DDMD_ANGLE_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 AnglePotential  : public Potential
   {

   public:

      AnglePotential(Simulation& simulation);

      AnglePotential();

      ~AnglePotential();

      void associate(Boundary& boundary, GroupStorage<3>& storage);



      virtual void setNAngleType(int nAngleType) = 0;
  
      double angleEnergy(double cosTheta, int type) const;
 
      void angleForce(const Vector& R1, const Vector& R2,
                       Vector& F1, Vector& F2, int type) const;

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

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

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


   protected:

      Boundary& boundary() const;

      GroupStorage<3>& storage() const;

   private:

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

      // Pointer to associated GroupStorage<3> object.
      GroupStorage<3>* storagePtr_;

   };

   // Get boundary by reference.
   inline Boundary& AnglePotential::boundary() const
   { return *boundaryPtr_; }

   // Get bond storage by reference.
   inline GroupStorage<3>& AnglePotential::storage() const
   { return *storagePtr_; }

}
#endif