X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fanalysisdata%2Fmodules%2Fhistogram.h;h=0717b4b822d1c68b76a5f0397f7700af3cfd90c8;hb=fdad87f6637e6a59152b851bd033195f4e376c0b;hp=fe47fe0840a1363049ead744ab0226a60035b997;hpb=982c4f9cd49002caeaacf9142af0f25aed3c345b;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/analysisdata/modules/histogram.h b/src/gromacs/analysisdata/modules/histogram.h index fe47fe0840..0717b4b822 100644 --- a/src/gromacs/analysisdata/modules/histogram.h +++ b/src/gromacs/analysisdata/modules/histogram.h @@ -255,6 +255,8 @@ typedef boost::shared_ptr * * This class can represent multiple histograms in one object: each column in * the data is an independent histogram. + * The X values correspond to center of the bins, except for a cumulative + * histogram made with makeCumulative(). * * \inpublicapi * \ingroup module_analysisdata @@ -289,6 +291,14 @@ class AbstractAverageHistogram : public AbstractAnalysisArrayData AverageHistogramPointer clone() const; //! Normalizes the histogram such that the integral over it is one. void normalizeProbability(); + /*! \brief + * Makes the histograms cumulative by summing up each bin to all bins + * after it. + * + * The X values in the data are adjusted such that they match the right + * edges of bins instead of bin centers. + */ + void makeCumulative(); //! Scales a single histogram by a uniform scaling factor. void scaleSingle(int index, real factor); //! Scales all histograms by a uniform scaling factor.