/*
 * This file is part of the GROMACS molecular simulation package.
 *
 * Copyright 2018- The GROMACS Authors
 * and the project initiators Erik Lindahl, Berk Hess and David van der Spoel.
 * Consult the AUTHORS/COPYING files and https://www.gromacs.org for details.
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/*! \internal
 * \brief Defines the dispatch function for the .mdp integrator field.
 *
 * \author David van der Spoel <david.vanderspoel@icm.uu.se>
 * \author Mark Abraham <mark.j.abraham@gmail.com>
 * \ingroup module_mdrun
 */
#include "gmxpre.h"

#include "legacysimulator.h"

#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/utility/exceptions.h"

namespace gmx
{
//! \brief Run the correct integrator function.
void LegacySimulator::run()
{
    switch (inputrec->eI)
    {
        case IntegrationAlgorithm::MD:
        case IntegrationAlgorithm::BD:
        case IntegrationAlgorithm::SD1:
        case IntegrationAlgorithm::VV:
        case IntegrationAlgorithm::VVAK:
            if (!EI_DYNAMICS(inputrec->eI))
            {
                GMX_THROW(APIError(
                        "do_md integrator would be called for a non-dynamical integrator"));
            }
            if (doRerun)
            {
                do_rerun();
            }
            else
            {
                do_md();
            }
            break;
        case IntegrationAlgorithm::Mimic:
            if (doRerun)
            {
                do_rerun();
            }
            else
            {
                do_mimic();
            }
            break;
        case IntegrationAlgorithm::Steep: do_steep(); break;
        case IntegrationAlgorithm::CG: do_cg(); break;
        case IntegrationAlgorithm::NM: do_nm(); break;
        case IntegrationAlgorithm::LBFGS: do_lbfgs(); break;
        case IntegrationAlgorithm::TPI:
        case IntegrationAlgorithm::TPIC:
            if (!EI_TPI(inputrec->eI))
            {
                GMX_THROW(APIError("do_tpi integrator would be called for a non-TPI integrator"));
            }
            do_tpi();
            break;
        case IntegrationAlgorithm::SD2Removed:
            GMX_THROW(NotImplementedError("SD2 integrator has been removed"));
        default: GMX_THROW(APIError("Non existing integrator selected"));
    }
}

} // namespace gmx
