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/*! \file
* \brief
* Declares gmx::AbstractAnalysisArrayData and gmx::AnalysisArrayData.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \inpublicapi
* \ingroup module_analysisdata
*/
#include <vector>
-#include "../utility/gmxassert.h"
-
-#include "abstractdata.h"
-#include "dataframe.h"
+#include "gromacs/analysisdata/abstractdata.h"
+#include "gromacs/analysisdata/dataframe.h"
+#include "gromacs/utility/gmxassert.h"
namespace gmx
{
* accessed before it is available.
*
* \todo
- * Add methods to take full advantage of AnalysisDataValue features.
+ * Add support for multiple data sets.
*
* \inlibraryapi
* \ingroup module_analysisdata
public:
virtual ~AbstractAnalysisArrayData();
+ virtual int frameCount() const
+ {
+ return bReady_ ? rowCount_ : 0;
+ }
+
/*! \brief
* Returns the number of rows in the data array.
*
* This function is identical to frameCount(), except that frameCount()
* returns 0 before valuesReady() has been called.
*/
- int rowCount() const { return _nrows; }
+ int rowCount() const { return rowCount_; }
//! Returns true if values have been allocated.
- bool isAllocated() const { return !_value.empty(); }
+ bool isAllocated() const { return !value_.empty(); }
//! Returns the x value of the first frame.
- real xstart() const { return _xstart; }
+ real xstart() const { return xvalue_[0]; }
//! Returns the step between frame x values.
- real xstep() const { return _xstep; }
+ real xstep() const
+ {
+ GMX_ASSERT(bUniformX_, "Accessing x step for non-uniform data");
+ return xstep_;
+ }
//! Returns the x value of a row.
real xvalue(int row) const
{
GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
- return xstart() + row * xstep();
+ return xvalue_[row];
}
//! Returns a given array element.
- real value(int row, int col) const
+ const AnalysisDataValue &value(int row, int col) const
{
GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
GMX_ASSERT(isAllocated(), "Data array not allocated");
- return _value[row * columnCount() + col].value();
+ return value_[row * columnCount() + col];
}
protected:
/*! \brief
* Sets the number of rows in the data array.
*
- * \param[in] nrows Number of rows in the data.
+ * \param[in] rowCount Number of rows in the data.
*
* Cannot be called after allocateValues().
*
* Does not throw.
*/
- void setRowCount(int nrows);
+ void setRowCount(int rowCount);
/*! \brief
* Allocates memory for the values.
*
* \param[in] step Step between x values of successive frames.
*
* Must not be called after valuesReady().
+ * Any values set with setXAxisValue() are overwritten.
*
* Does not throw.
*/
void setXAxis(real start, real step);
- //! Returns a reference to a given array element.
- real &value(int row, int col)
- {
- GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
- GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
- GMX_ASSERT(isAllocated(), "Data array not allocated");
- return _value[row * columnCount() + col].value();
- }
/*! \brief
- * Sets the value of an element in the array.
+ * Sets a single value reported as x value for frames.
+ *
+ * \param[in] row Row/frame for which to set the value.
+ * \param[in] value x value for the frame specified by \p row.
*
- * \param[in] row Zero-based row index for the value.
- * \param[in] col Zero-based column index for the value.
- * \param[in] val Value to set in the given location.
+ * Must not be called after valuesReady().
*
* Does not throw.
*/
- void setValue(int row, int col, real val)
+ void setXAxisValue(int row, real value);
+ //! Returns a reference to a given array element.
+ AnalysisDataValue &value(int row, int col)
{
- value(row, col) = val;
+ GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
+ GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
+ GMX_ASSERT(isAllocated(), "Data array not allocated");
+ return value_[row * columnCount() + col];
}
/*! \brief
* Notifies modules of the data.
* \p dest should not have previous contents.
*/
static void copyContents(const AbstractAnalysisArrayData *src,
- AbstractAnalysisArrayData *dest);
+ AbstractAnalysisArrayData *dest);
private:
virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
virtual bool requestStorageInternal(int nframes);
- int _nrows;
- std::vector<AnalysisDataValue> _value;
- real _xstart;
- real _xstep;
- bool _bReady;
+ int rowCount_;
+ AnalysisDataPointSetInfo pointSetInfo_;
+ std::vector<AnalysisDataValue> value_;
+ std::vector<real> xvalue_;
+ real xstep_;
+ bool bUniformX_;
+ bool bReady_;
// Copy and assign disallowed by base.
};
using AbstractAnalysisArrayData::setRowCount;
using AbstractAnalysisArrayData::allocateValues;
using AbstractAnalysisArrayData::setXAxis;
+ using AbstractAnalysisArrayData::setXAxisValue;
using AbstractAnalysisArrayData::value;
- using AbstractAnalysisArrayData::setValue;
using AbstractAnalysisArrayData::valuesReady;
// Copy and assign disallowed by base.
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff