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/*! \inpublicapi \file
 * \brief
 * Implements nblib SimulationState
 *
 * \author Berk Hess <hess@kth.se>
 * \author Victor Holanda <victor.holanda@cscs.ch>
 * \author Joe Jordan <ejjordan@kth.se>
 * \author Prashanth Kanduri <kanduri@cscs.ch>
 * \author Sebastian Keller <keller@cscs.ch>
 * \author Artem Zhmurov <zhmurov@gmail.com>
 */
#ifndef NBLIB_SIMULATIONSTATE_H
#define NBLIB_SIMULATIONSTATE_H

#include <memory>
#include <vector>

#include "box.h"
#include "topology.h"
#include "vector.h"

namespace nblib
{

/*! \libinternal
 * \ingroup nblib
 * \brief Simulation State
 *
 * Simulation state description that serves as a snapshot of the system
 * being analysed. Needed to init an MD program. Allows hot-starting simulations.
 */

class SimulationState final
{
public:
    //! Constructor
    SimulationState(const std::vector<Vec3>& coordinates,
                    const std::vector<Vec3>& velocities,
                    const std::vector<Vec3>& forces,
                    Box                      box,
                    Topology                 topology);

    //! Returns topology of the current state
    const Topology& topology() const;

    //! Returns the box
    Box box() const;

    //! Returns a reference to a (modifiable) vector of particle coordinates
    std::vector<Vec3>& coordinates();

    //! Returns a read-only vector of particle coordinates
    const std::vector<Vec3>& coordinates() const;

    //! Returns a reference to a (modifiable) vector of particle velocities
    std::vector<Vec3>& velocities();

    //! Returns a reference to a (modifiable) vector of forces
    std::vector<Vec3>& forces();

private:
    class Impl;
    std::shared_ptr<SimulationState::Impl> simulationStatePtr_;
};

} // namespace nblib

#endif // NBLIB_SIMULATIONSTATE_H
