Molecule.h

// Copyright (C) 2015 Technische Universitaet Muenchen
// This file is part of the Mamico project. For conditions of distribution
// and use, please see the copyright notice in Mamico's main folder, or at
// www5.in.tum.de/mamico
#ifndef _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULE_H_
#define _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULE_H_
 
#include "tarch/la/Vector.h"
 
namespace coupling {
namespace interface {
template <unsigned int dim> class Molecule;
}
} // namespace coupling

template <unsigned int dim> class coupling::interface::Molecule {
public:
  virtual ~Molecule() {}

  virtual tarch::la::Vector<dim, double> getVelocity() const = 0;

  virtual void setVelocity(const tarch::la::Vector<dim, double>& velocity) = 0;

  virtual tarch::la::Vector<dim, double> getPosition() const = 0;

  virtual void setPosition(const tarch::la::Vector<dim, double>& position) = 0;

  virtual void setForce(const tarch::la::Vector<dim, double>& force) = 0;

  virtual tarch::la::Vector<dim, double> getForce() const = 0;

  virtual double getPotentialEnergy() const = 0;

  virtual void setPotentialEnergy(const double& potentialEnergy) = 0;
};
#endif // _MOLECULARDYNAMICS_COUPLING_INTERFACE_MOLECULE_H_