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/*! \internal \file
 * \brief Implementions of related classes for tests that want to
 * inspect energies produced by mdrun.
 *
 * \author Mark Abraham <mark.j.abraham@gmail.com>
 * \ingroup module_mdrun_integration_tests
 */
#include "gmxpre.h"

#include "energyframe.h"

#include <map>
#include <string>

#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/stringutil.h"

namespace gmx
{

EnergyFrame::EnergyFrame(const t_enxframe& enxframe, const std::map<std::string, int>& indicesOfEnergyFields) :
    step_(enxframe.step), time_(enxframe.t)
{
    for (const auto& index : indicesOfEnergyFields)
    {
        if (index.second >= enxframe.nre)
        {
            GMX_THROW(InternalError(formatString(
                    "Index %d for energy %s not present in energy frame with %d energies",
                    index.second,
                    index.first.c_str(),
                    enxframe.nre)));
        }
        values_[index.first] = enxframe.ener[index.second].e;
    }
}

std::string EnergyFrame::frameName() const
{
    return formatString("Time %f Step %" PRId64, time_, step_);
}

const real& EnergyFrame::at(const std::string& name) const
{
    auto valueIterator = values_.find(name);
    if (valueIterator == values_.end())
    {
        GMX_THROW(APIError("Cannot get energy value " + name
                           + " unless previously registered when constructing EnergyFrameReader"));
    }
    return valueIterator->second;
}

EnergyFrame::MapConstIterator EnergyFrame::begin() const
{
    return values_.begin();
}

EnergyFrame::MapConstIterator EnergyFrame::end() const
{
    return values_.end();
}

EnergyFrame::MapConstIterator EnergyFrame::find(const std::string& key) const
{
    return values_.find(key);
}

} // namespace gmx
