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More precise analysisdata histogram accumulation
[alexxy/gromacs.git]
/
src
/
gromacs
/
analysisdata
/
modules
/
histogram.h
diff --git
a/src/gromacs/analysisdata/modules/histogram.h
b/src/gromacs/analysisdata/modules/histogram.h
index 280c4784f73a7be8412c0662d62b0366dc442a76..fe47fe0840a1363049ead744ab0226a60035b997 100644
(file)
--- a/
src/gromacs/analysisdata/modules/histogram.h
+++ b/
src/gromacs/analysisdata/modules/histogram.h
@@
-237,13
+237,6
@@
class AnalysisHistogramSettings
};
};
-namespace internal
-{
-
-class BasicHistogramImpl;
-
-} // namespace internal
-
class AbstractAverageHistogram;
//! Smart pointer to manage an AbstractAverageHistogram object.
class AbstractAverageHistogram;
//! Smart pointer to manage an AbstractAverageHistogram object.
@@
-344,6
+337,10
@@
class AbstractAverageHistogram : public AbstractAnalysisArrayData
* The number of columns for all data sets equals the number of bins in the
* histogram.
*
* The number of columns for all data sets equals the number of bins in the
* histogram.
*
+ * The histograms are accumulated as 64-bit integers within a frame and summed
+ * in double precision across frames, even if the output data is in single
+ * precision.
+ *
* \inpublicapi
* \ingroup module_analysisdata
*/
* \inpublicapi
* \ingroup module_analysisdata
*/
@@
-396,7
+393,9
@@
class AnalysisDataSimpleHistogramModule : public AbstractAnalysisData,
virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
virtual bool requestStorageInternal(int nframes);
virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
virtual bool requestStorageInternal(int nframes);
- PrivateImplPointer<internal::BasicHistogramImpl> impl_;
+ class Impl;
+
+ PrivateImplPointer<Impl> impl_;
// Copy and assign disallowed by base.
};
// Copy and assign disallowed by base.
};
@@
-417,6
+416,9
@@
class AnalysisDataSimpleHistogramModule : public AbstractAnalysisData,
* The number of columns for all data sets equals the number of bins in the
* histogram.
*
* The number of columns for all data sets equals the number of bins in the
* histogram.
*
+ * The histograms are accumulated in double precision, even if the output data
+ * is in single precision.
+ *
* \inpublicapi
* \ingroup module_analysisdata
*/
* \inpublicapi
* \ingroup module_analysisdata
*/
@@
-455,7
+457,9
@@
class AnalysisDataWeightedHistogramModule : public AbstractAnalysisData,
virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
virtual bool requestStorageInternal(int nframes);
virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
virtual bool requestStorageInternal(int nframes);
- PrivateImplPointer<internal::BasicHistogramImpl> impl_;
+ class Impl;
+
+ PrivateImplPointer<Impl> impl_;
// Copy and assign disallowed by base.
};
// Copy and assign disallowed by base.
};