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/*! \libinternal \file
 *
 * \brief This file contains declarations necessary for low-level
 * functions for computing energies and forces for position
 * restraints.
 *
 * \author Mark Abraham <mark.j.abraham@gmail.com>
 * \inlibraryapi
 * \ingroup module_listed_forces
 */

#ifndef GMX_LISTED_FORCES_POSITION_RESTRAINTS_H
#define GMX_LISTED_FORCES_POSITION_RESTRAINTS_H

#include <cstdio>

#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"

struct gmx_enerdata_t;
struct gmx_wallcycle;
struct t_forcerec;
class InteractionDefinitions;
struct t_lambda;
struct t_nrnb;
struct t_pbc;

namespace gmx
{
class ForceWithVirial;
}

/*! \brief Helper function that wraps calls to posres */
void posres_wrapper(t_nrnb*                       nrnb,
                    const InteractionDefinitions& idef,
                    const struct t_pbc*           pbc,
                    const rvec*                   x,
                    gmx_enerdata_t*               enerd,
                    gmx::ArrayRef<const real>     lambda,
                    const t_forcerec*             fr,
                    gmx::ForceWithVirial*         forceWithVirial);

/*! \brief Helper function that wraps calls to posres for free-energy
    pertubation */
void posres_wrapper_lambda(struct gmx_wallcycle*         wcycle,
                           const t_lambda*               fepvals,
                           const InteractionDefinitions& idef,
                           const struct t_pbc*           pbc,
                           const rvec                    x[],
                           gmx_enerdata_t*               enerd,
                           gmx::ArrayRef<const real>     lambda,
                           const t_forcerec*             fr);

/*! \brief Helper function that wraps calls to fbposres for
    free-energy perturbation */
void fbposres_wrapper(t_nrnb*                       nrnb,
                      const InteractionDefinitions& idef,
                      const struct t_pbc*           pbc,
                      const rvec*                   x,
                      gmx_enerdata_t*               enerd,
                      const t_forcerec*             fr,
                      gmx::ForceWithVirial*         forceWithVirial);

#endif
