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/*! \file
* \brief
*
* \inpublicapi
* \ingroup module_analysisdata
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
*/
#ifndef GMX_ANALYSISDATA_MODULES_PLOT_H
#define GMX_ANALYSISDATA_MODULES_PLOT_H
#include <boost/shared_ptr.hpp>
-#include "../datamodule.h"
-#include "../../options/timeunitmanager.h"
-#include "../../utility/common.h"
+#include "gromacs/analysisdata/datamodule.h"
+#include "gromacs/options/timeunitmanager.h"
+#include "gromacs/utility/common.h"
namespace gmx
{
+class AnalysisDataValue;
class Options;
class SelectionCollection;
private:
const SelectionCollection *selections_;
- TimeUnit timeUnit_;
- int plotFormat_;
+ TimeUnit timeUnit_;
+ int plotFormat_;
};
/*! \brief
* straightforward plotting).
*
* By default, the data is written into an xvgr file, according to the
- * options read from the Options object given to the constructor.
+ * options read from the AnalysisDataPlotSettings object given to the
+ * constructor.
* For non-xvgr data, it's possible to skip all headers by calling
* setPlainOutput().
*
- * Multipoint data is supported, in which case all the points are written to
- * the output, in the order in which they are added to the data. A single
- * output line corresponds to a single frame. In most cases with multipoint
- * data, setPlainOutput() should be called since the output does not make sense
- * as an xvgr file, but this is not enforced.
+ * A single output line corresponds to a single frame. In most cases with
+ * multipoint data, setPlainOutput() should be called since the output does not
+ * make sense as an xvgr file, but this is not enforced.
+ *
+ * Multipoint data and multiple data sets are both supported, in which case all
+ * the points are written to the output, in the order in which they are added
+ * to the data.
*
* \ingroup module_analysisdata
*/
-class AbstractPlotModule : public AnalysisDataModuleInterface
+class AbstractPlotModule : public AnalysisDataModuleSerial
{
public:
virtual ~AbstractPlotModule();
/*! \brief
* Set the output file name.
*
- * If no file name is set (or if \p fnm is NULL), no output occurs.
+ * If no file name is set (or if \p filename is empty), no output occurs.
*/
- void setFileName(const std::string &fnm);
+ void setFileName(const std::string &filename);
/*! \brief
* Set plain output.
*
* methods have any effect on the output.
*/
void setPlainOutput(bool bPlain);
+ /*! \brief
+ * Plot errors as a separate output column after each value column.
+ */
+ void setErrorsAsSeparateColumn(bool bSeparate);
/*! \brief
* Omit the X coordinates from the output.
*
* together.
*/
void appendLegend(const char *setname);
+ //! \copydoc appendLegend(const char *)
+ void appendLegend(const std::string &setname);
/*! \brief
* Set field width and precision for X value output.
*/
- void setXFormat(int width, int prec, char fmt = 'f');
+ void setXFormat(int width, int precision, char format = 'f');
/*! \brief
* Set field width and precision for Y value output.
*/
- void setYFormat(int width, int prec, char fmt = 'f');
+ void setYFormat(int width, int precision, char format = 'f');
virtual int flags() const;
protected:
/*! \cond libapi */
AbstractPlotModule();
- //! Creates AbstractPlotModule and assign common settings for the plotting
+ //! Creates AbstractPlotModule and assign common settings.
explicit AbstractPlotModule(const AnalysisDataPlotSettings &settings);
+ //! Whether an output file has been opened.
bool isFileOpen() const;
- void writeValue(real value) const;
+ /*! \brief
+ * Appends a single value to the current output line.
+ *
+ * \param[in] value Value to append.
+ *
+ * Should be used from pointsAdded() implementations in derived classes
+ * to write out individual y values to the output.
+ *
+ * Must not be called if isFileOpen() returns false.
+ */
+ void writeValue(const AnalysisDataValue &value) const;
//! \endcond
private:
class Impl;
- PrivateImplPointer<Impl> _impl;
+ PrivateImplPointer<Impl> impl_;
};
{
public:
AnalysisDataPlotModule();
- //! Creates AnalysisDataPlotModule and assign common settings for the plotting
+ //! Creates AnalysisDataPlotModule and assign common settings.
explicit AnalysisDataPlotModule(const AnalysisDataPlotSettings &settings);
virtual void pointsAdded(const AnalysisDataPointSetRef &points);
{
public:
AnalysisDataVectorPlotModule();
- //! Creates AnalysisDataVectorPlotModule and assign common settings for the plotting
+ //! Creates AnalysisDataVectorPlotModule and assign common settings.
explicit AnalysisDataVectorPlotModule(const AnalysisDataPlotSettings &settings);
/*! \brief
virtual void pointsAdded(const AnalysisDataPointSetRef &points);
private:
- bool _bWrite[4];
+ bool bWrite_[4];
// Copy and assign disallowed by base.
};
//! Smart pointer to manage an AnalysisDataPlotModule object.
typedef boost::shared_ptr<AnalysisDataPlotModule>
- AnalysisDataPlotModulePointer;
+ AnalysisDataPlotModulePointer;
//! Smart pointer to manage an AnalysisDataVectorPlotModule object.
typedef boost::shared_ptr<AnalysisDataVectorPlotModule>
- AnalysisDataVectorPlotModulePointer;
+ AnalysisDataVectorPlotModulePointer;
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff