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/*! \file
 * \brief
 * Declares gmx::AnalysisDataDisplacementModule.
 *
 * \author Teemu Murtola <teemu.murtola@gmail.com>
 * \inpublicapi
 * \ingroup module_analysisdata
 */
#ifndef GMX_ANALYSISDATA_MODULES_DISPLACEMENT_H
#define GMX_ANALYSISDATA_MODULES_DISPLACEMENT_H

#include "gromacs/analysisdata/abstractdata.h"
#include "gromacs/analysisdata/datamodule.h"
#include "gromacs/utility/real.h"

namespace gmx
{

class AnalysisDataBinAverageModule;

/*! \brief
 * Data module for calculating displacements.
 *
 * Output data contains a frame for each frame in the input data except the
 * first one.  For each frame, there can be multiple points, each of which
 * describes displacement for a certain time difference ending that that frame.
 * The first column contains the time difference (backwards from the current
 * frame), and the remaining columns the sizes of the displacements.
 *
 * Current implementation is not very generic, but should be easy to extend.
 *
 * \inpublicapi
 * \ingroup module_analysisdata
 */
class AnalysisDataDisplacementModule : public AbstractAnalysisData,
                                       public AnalysisDataModuleSerial
{
    public:
        AnalysisDataDisplacementModule();
        virtual ~AnalysisDataDisplacementModule();

        /*! \brief
         * Sets the largest displacement time to be calculated.
         */
        void setMaxTime(real tmax);
        /*! \brief
         * Sets an histogram module that will receive a MSD histogram.
         *
         * If this function is not called, no histogram is calculated.
         */
        void setMSDHistogram(std::shared_ptr<AnalysisDataBinAverageModule> histm);

        virtual int flags() const;

        virtual void dataStarted(AbstractAnalysisData *data);
        virtual void frameStarted(const AnalysisDataFrameHeader &header);
        virtual void pointsAdded(const AnalysisDataPointSetRef &points);
        virtual void frameFinished(const AnalysisDataFrameHeader &header);
        virtual void dataFinished();

    private:
        virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
        virtual bool requestStorageInternal(int nframes);

        class Impl;

        PrivateImplPointer<Impl> _impl;
};

//! Smart pointer to manage an AnalysisDataDisplacementModule object.
typedef std::shared_ptr<AnalysisDataDisplacementModule>
    AnalysisDataDisplacementModulePointer;

} // namespace gmx

#endif
