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[gromacs.git] / src / gromacs / analysisdata / datamodule.h

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/*! \file
 * \brief
 * Declares gmx::IAnalysisDataModule and related convenience classes.
 *
 * \author Teemu Murtola <teemu.murtola@gmail.com>
 * \inlibraryapi
 * \ingroup module_analysisdata
 */
#ifndef GMX_ANALYSISDATA_DATAMODULE_H
#define GMX_ANALYSISDATA_DATAMODULE_H

namespace gmx
{

class AbstractAnalysisData;
class AnalysisDataFrameHeader;
class AnalysisDataParallelOptions;
class AnalysisDataPointSetRef;

/*! \brief
 * Interface for a module that gets notified whenever data is added.
 *
 * The interface provides one method (flags()) that describes features of
 * data objects the module supports.  Only most common features are included
 * in the flags; custom checks can be implemented in the dataStarted() and/or
 * parallelDataStarted() methods (see below).
 * All other methods in the interface are callbacks that are called by the
 * data object to which the module is attached to describe the data.
 * See \ref module_analysisdata for an overview of the notifications the
 * modules receive, and \ref page_analysisdata for overview of the terminology.
 *
 * Concrete modules typically do not directly derive from this interface, but
 * from either AnalysisDataModuleSerial or AnalysisDataModuleParallel.
 * Both these classes implement one of dataStarted()/parallelDataStarted() by
 * forwarding the calls to the other method of this pair.  This allows the
 * module to only implement the initialization once, without needing to worry
 * how to correctly handle both cases.
 *
 * Currently, if the module throws an exception, it requires the analysis tool
 * to terminate, since AbstractAnalysisData will be left in a state where it
 * is not possible to continue processing.  See a related todo item in
 * AbstractAnalysisData.
 *
 * \inlibraryapi
 * \ingroup module_analysisdata
 */
class IAnalysisDataModule
{
public:
    /*! \brief
     * Possible flags for flags().
     */
    enum Flag
    {
        //! The module can process multipoint data.
        efAllowMultipoint = 1 << 0,
        //! The module does not make sense for non-multipoint data.
        efOnlyMultipoint = 1 << 1,
        //! The module can process data with more than one column.
        efAllowMulticolumn = 1 << 2,
        //! The module can process data with missing points.
        efAllowMissing = 1 << 3,
        //! The module can process data with multiple data sets.
        efAllowMultipleDataSets = 1 << 4
    };

    virtual ~IAnalysisDataModule() {}

    /*! \brief
     * Returns properties supported by the module.
     *
     * The return value of this method should not change after the module
     * has been added to a data (this responsibility can, and in most cases
     * must, be delegated to the user of the module).
     *
     * The purpose of this method is to remove the need for common checks
     * for data compatibility in the classes that implement the interface.
     * Instead, AbstractAnalysisData performs these checks based on the
     * flags provided.
     *
     * Does not throw.
     */
    virtual int flags() const = 0;

    /*! \brief
     * Called (once) when the data has been set up properly.
     *
     * \param[in] data  Data object to which the module is added.
     * \throws    APIError if the provided data is not compatible.
     * \throws    unspecified  Can throw any exception required by the
     *      implementing class to report errors.
     *
     * When the data is ready, either this method or parallelDataStarted()
     * is called, depending on the nature of the input data.  If this
     * method is called, the input data will always present the frames in
     * sequential order.
     *
     * The data to which the module is attached is passed as an argument
     * to provide access to properties of the data for initialization
     * and/or validation.  The module can also call
     * AbstractAnalysisData::requestStorage() if needed.
     *
     * This is the only place where the module gets access to the data;
     * if properties of the data are required later, the module should
     * store them internally.  It is guaranteed that the data properties
     * (column count, whether it's multipoint) do not change once this
     * method has been called.
     *
     * Notice that \p data will be a proxy object if the module is added as
     * a column module, not the data object for which
     * AbstractAnalysisData::addColumnModule() was called.
     */
    virtual void dataStarted(AbstractAnalysisData* data) = 0;
    /*! \brief
     * Called (once) for parallel data when the data has been set up.
     *
     * \param[in] data     Data object to which the module is added.
     * \param[in] options  Parallelization properties of the input data.
     * \returns   true if the module can process the input in
     *      non-sequential order.
     * \throws    APIError if the provided data is not compatible.
     * \throws    unspecified  Can throw any exception required by the
     *      implementing class to report errors.
     *
     * This method is called instead of dataStarted() if the input data has
     * the capability to present data in non-sequential order.
     * If the method returns true, then the module accepts this and frame
     * notification methods may be called in that non-sequential order.
     * If the method returns false, then the frame notification methods are
     * called in sequential order, as if dataStarted() had been called.
     *
     * See dataStarted() for general information on initializing the data.
     * That applies to this method as well, with the exception that calling
     * AbstractAnalysisData::requestStorage() is currently not very well
     * supported (or rather, accessing the requested storage doesn't work).
     */
    virtual bool parallelDataStarted(AbstractAnalysisData*              data,
                                     const AnalysisDataParallelOptions& options) = 0;
    /*! \brief
     * Called at the start of each data frame.
     *
     * \param[in] frame  Header information for the frame that is starting.
     * \throws    unspecified  Can throw any exception required by the
     *      implementing class to report errors.
     */
    virtual void frameStarted(const AnalysisDataFrameHeader& frame) = 0;
    /*! \brief
     * Called one or more times during each data frame.
     *
     * \param[in] points  Set of points added (also provides access to
     *      frame-level data).
     * \throws    APIError if the provided data is not compatible.
     * \throws    unspecified  Can throw any exception required by the
     *      implementing class to report errors.
     *
     * Can be called once or multiple times for a frame.  For all data
     * objects currently implemented in the library (and all objects that
     * will use AnalysisDataStorage for internal implementation), it is
     * called exactly once for each frame if the data is not multipoint,
     * but currently this restriction is not enforced.
     */
    virtual void pointsAdded(const AnalysisDataPointSetRef& points) = 0;
    /*! \brief
     * Called when a data frame is finished.
     *
     * \param[in] header  Header information for the frame that is ending.
     * \throws    unspecified  Can throw any exception required by the
     *      implementing class to report errors.
     */
    virtual void frameFinished(const AnalysisDataFrameHeader& header) = 0;
    /*! \brief
     * Called in sequential order for each frame after they are finished.
     *
     * \param[in] frameIndex   Index of the next finished frame.
     * \throws    unspecified  Can throw any exception required by the
     *      implementing class to report errors.
     *
     * This method is called after frameFinished(), but with an additional
     * constraint that it is always called in serial and with an increasing
     * \p frameIndex.  Parallel data modules need this to serialize their
     * data for downstream serial modules; AnalysisDataModuleSerial provides
     * an empty implementation, as there frameFinished() can be used for
     * the same purpose.
     */
    virtual void frameFinishedSerial(int frameIndex) = 0;
    /*! \brief
     * Called (once) when no more data is available.
     *
     * \throws    unspecified  Can throw any exception required by the
     *      implementing class to report errors.
     */
    virtual void dataFinished() = 0;
};

/*! \brief
 * Convenience base class for serial analysis data modules.
 *
 * Implements the parallelDataStarted() method such that initialization is
 * always forwarded to dataStarted(), and the module always behaves as serial
 * (parallelDataStarted() returns false).
 *
 * \inlibraryapi
 * \ingroup module_analysisdata
 */
class AnalysisDataModuleSerial : public IAnalysisDataModule
{
public:
    ~AnalysisDataModuleSerial() override {}

    int flags() const override = 0;

    void dataStarted(AbstractAnalysisData* data) override              = 0;
    void frameStarted(const AnalysisDataFrameHeader& frame) override   = 0;
    void pointsAdded(const AnalysisDataPointSetRef& points) override   = 0;
    void frameFinished(const AnalysisDataFrameHeader& header) override = 0;
    void dataFinished() override                                       = 0;

private:
    bool parallelDataStarted(AbstractAnalysisData* data, const AnalysisDataParallelOptions& options) override;
    void frameFinishedSerial(int /*frameIndex*/) override {}
};

/*! \brief
 * Convenience base class for parallel analysis data modules.
 *
 * Implements the dataStarted() method such that initialization is always done
 * in parallelDataStarted().  dataStarted() calls are forwarded to
 * parallelDataStarted() using a dummy serial AnalysisDataParallelOptions.
 *
 * \inlibraryapi
 * \ingroup module_analysisdata
 */
class AnalysisDataModuleParallel : public IAnalysisDataModule
{
public:
    ~AnalysisDataModuleParallel() override {}

    int flags() const override = 0;

    bool parallelDataStarted(AbstractAnalysisData*              data,
                             const AnalysisDataParallelOptions& options) override = 0;
    void frameStarted(const AnalysisDataFrameHeader& frame) override              = 0;
    void pointsAdded(const AnalysisDataPointSetRef& points) override              = 0;
    void frameFinished(const AnalysisDataFrameHeader& header) override            = 0;
    void frameFinishedSerial(int index) override                                  = 0;
    void dataFinished() override                                                  = 0;

private:
    void dataStarted(AbstractAnalysisData* data) override;
};

} // namespace gmx

#endif