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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();
    ~AnalysisDataDisplacementModule() override;

    /*! \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(const std::shared_ptr<AnalysisDataBinAverageModule>& histm);

    int flags() const override;

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

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

    class Impl;

    std::unique_ptr<Impl> _impl;
};

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

} // namespace gmx

#endif
