src/gromacs/analysisdata/modules/lifetime.h

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  35 /*! \file
  36  * \brief
  37  * Declares gmx::AnalysisDataLifetimeModule.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \inpublicapi
  41  * \ingroup module_analysisdata
  42  */
  43 #ifndef GMX_ANALYSISDATA_MODULES_LIFETIME_H
  44 #define GMX_ANALYSISDATA_MODULES_LIFETIME_H
  45
  46 #include "gromacs/analysisdata/arraydata.h"
  47 #include "gromacs/analysisdata/datamodule.h"
  48 #include "gromacs/utility/classhelpers.h"
  49
  50 namespace gmx
  51 {
  52
  53 /*! \brief
  54  * Data module for computing lifetime histograms for columns in input data.
  55  *
  56  * The input data set is treated as a boolean array: each value that is present
  57  * (AnalysisDataValue::isPresent() returns true) and is >0 is treated as
  58  * present, other values are treated as absent.
  59  * For each input data set, analyzes the columns to identify the intervals
  60  * where a column is continuously present.
  61  * Produces a histogram from the lengths of these intervals.
  62  * Input data should have frames with evenly spaced x values.
  63  *
  64  * Output data contains one column for each data set in the input data.
  65  * This column gives the lifetime histogram for the corresponding data set.
  66  * x axis in the output is spaced the same as in the input data, and extends
  67  * as long as required to cover all the histograms.
  68  * Histograms are padded with zeros as required to be of the same length.
  69  * setCumulative() can be used to alter the handling of subintervals in the
  70  * output histogram.
  71  *
  72  * The output data becomes available only after the input data has been
  73  * finished.
  74  *
  75  * \inpublicapi
  76  * \ingroup module_analysisdata
  77  */
  78 class AnalysisDataLifetimeModule : public AbstractAnalysisArrayData,
  79                                    public AnalysisDataModuleSerial
  80 {
  81     public:
  82         AnalysisDataLifetimeModule();
  83         ~AnalysisDataLifetimeModule() override;
  84
  85         /*! \brief
  86          * Sets a cumulative histogram mode.
  87          *
  88          * \param[in] bCumulative If true, all subintervals of a long
  89          *   interval are also explicitly added into the histogram.
  90          *
  91          * Does not throw.
  92          */
  93         void setCumulative(bool bCumulative);
  94
  95         int flags() const override;
  96
  97         void dataStarted(AbstractAnalysisData *data) override;
  98         void frameStarted(const AnalysisDataFrameHeader &header) override;
  99         void pointsAdded(const AnalysisDataPointSetRef &points) override;
 100         void frameFinished(const AnalysisDataFrameHeader &header) override;
 101         void dataFinished() override;
 102
 103     private:
 104         class Impl;
 105
 106         PrivateImplPointer<Impl> impl_;
 107 };
 108
 109 //! Smart pointer to manage an AnalysisDataLifetimeModule object.
 110 typedef std::shared_ptr<AnalysisDataLifetimeModule>
 111     AnalysisDataLifetimeModulePointer;
 112
 113 } // namespace gmx
 114
 115 #endif