#include <gromacs/analysisdata/modules/plot.h>

Inheritance diagram for gmx::AnalysisDataVectorPlotModule:

Collaboration diagram for gmx::AnalysisDataVectorPlotModule:

Description

Plotting module specifically for data consisting of vectors.

See AbstractPlotModule for common plotting options.

Public Types
enum	Flag { efAllowMultipoint = 1 << 0, efOnlyMultipoint = 1 << 1, efAllowMulticolumn = 1 << 2, efAllowMissing = 1 << 3, efAllowMultipleDataSets = 1 << 4 }
	Possible flags for flags(). More...

Public Member Functions
	AnalysisDataVectorPlotModule (const AnalysisDataPlotSettings &settings)
	Creates AnalysisDataVectorPlotModule and assign common settings.

void	setWriteX (bool bWrite)
	Set whether to write X component.

void	setWriteY (bool bWrite)
	Set whether to write Y component.

void	setWriteZ (bool bWrite)
	Set whether to write Z component.

void	setWriteNorm (bool bWrite)
	Set whether to write norm of the vector.

void	setWriteMask (const bool bWrite[4])
	Set mask for what to write.

void	pointsAdded (const AnalysisDataPointSetRef &points) override
	Called one or more times during each data frame. More...

void	setSettings (const AnalysisDataPlotSettings &settings)
	Set common settings for the plotting.

void	setFileName (const std::string &filename)
	Set the output file name. More...

void	setPlainOutput (bool bPlain)
	Set plain output. More...

void	setErrorsAsSeparateColumn (bool bSeparate)
	Plot errors as a separate output column after each value column.

void	setOmitX (bool bOmitX)
	Omit the X coordinates from the output. More...

void	setTitle (const char *title)
	Set plot title.

void	setTitle (const std::string &title)
	Set plot title. More...

void	setSubtitle (const char *subtitle)
	Set plot subtitle.

void	setSubtitle (const std::string &subtitle)
	Set plot subtitle. More...

void	setXLabel (const char *label)
	Set X axis label.

void	setXAxisIsTime ()
	Treat X axis as time. More...

void	setYLabel (const char *label)
	Set Y axis label.

void	setLegend (int nsets, const char const setname)
	Add legend from an array of strings. More...

void	appendLegend (const char *setname)
	Add a legend string for the next data set. More...

void	appendLegend (const std::string &setname)
	Add a legend string for the next data set. More...

void	setXFormat (int width, int precision, char format= 'f')
	Set field width and precision for X value output.

void	setYFormat (int width, int precision, char format= 'f')
	Set field width and precision for Y value output.

int	flags () const override
	Returns properties supported by the module. More...

void	dataStarted (AbstractAnalysisData *data) override
	Called (once) when the data has been set up properly. More...

void	frameStarted (const AnalysisDataFrameHeader &header) override
	Called at the start of each data frame. More...

void	frameFinished (const AnalysisDataFrameHeader &header) override
	Called when a data frame is finished. More...

void	dataFinished () override
	Called (once) when no more data is available. More...

Protected Member Functions
bool	isFileOpen () const
	Whether an output file has been opened.

void	writeValue (const AnalysisDataValue &value) const
	Appends a single value to the current output line. More...

Member Enumeration Documentation

enum gmx::IAnalysisDataModule::Flag

inherited

Possible flags for flags().

Enumerator
efAllowMultipoint	The module can process multipoint data.
efOnlyMultipoint	The module does not make sense for non-multipoint data.
efAllowMulticolumn	The module can process data with more than one column.
efAllowMissing	The module can process data with missing points.
efAllowMultipleDataSets	The module can process data with multiple data sets.

Member Function Documentation

void gmx::AbstractPlotModule::appendLegend ( const char * setname )

inherited

Add a legend string for the next data set.

Multiple calls to setLegend() and/or appendLegend() are added together.

void gmx::AbstractPlotModule::appendLegend ( const std::string & setname )

inherited

Add a legend string for the next data set.

Multiple calls to setLegend() and/or appendLegend() are added together.

void gmx::AbstractPlotModule::dataFinished ( )

overridevirtualinherited

Called (once) when no more data is available.

Exceptions

unspecified Can throw any exception required by the implementing class to report errors.

Implements gmx::AnalysisDataModuleSerial.

void gmx::AbstractPlotModule::dataStarted ( AbstractAnalysisData * data )

overridevirtualinherited

Called (once) when the data has been set up properly.

Parameters

[in] data Data object to which the module is added.

Exceptions

APIError	if the provided data is not compatible.
unspecified	Can throw any exception required by the implementing class to report errors.

When the data is ready, either this method or parallelDataStarted() is called, depending on the nature of the input data. If this method is called, the input data will always present the frames in sequential order.

The data to which the module is attached is passed as an argument to provide access to properties of the data for initialization and/or validation. The module can also call AbstractAnalysisData::requestStorage() if needed.

This is the only place where the module gets access to the data; if properties of the data are required later, the module should store them internally. It is guaranteed that the data properties (column count, whether it's multipoint) do not change once this method has been called.

Notice that data will be a proxy object if the module is added as a column module, not the data object for which AbstractAnalysisData::addColumnModule() was called.

Implements gmx::AnalysisDataModuleSerial.

int gmx::AbstractPlotModule::flags ( ) const

overridevirtualinherited

Returns properties supported by the module.

The return value of this method should not change after the module has been added to a data (this responsibility can, and in most cases must, be delegated to the user of the module).

The purpose of this method is to remove the need for common checks for data compatibility in the classes that implement the interface. Instead, AbstractAnalysisData performs these checks based on the flags provided.

Does not throw.

Implements gmx::AnalysisDataModuleSerial.

void gmx::AbstractPlotModule::frameFinished ( const AnalysisDataFrameHeader & header )

overridevirtualinherited

Called when a data frame is finished.

Parameters

[in] header Header information for the frame that is ending.

Exceptions

unspecified Can throw any exception required by the implementing class to report errors.

Implements gmx::AnalysisDataModuleSerial.

void gmx::AbstractPlotModule::frameStarted ( const AnalysisDataFrameHeader & frame )

overridevirtualinherited

Called at the start of each data frame.

Parameters

[in] frame Header information for the frame that is starting.

Exceptions

unspecified Can throw any exception required by the implementing class to report errors.

Implements gmx::AnalysisDataModuleSerial.

void gmx::AnalysisDataVectorPlotModule::pointsAdded ( const AnalysisDataPointSetRef & points )

overridevirtual

Called one or more times during each data frame.

Parameters

[in] points Set of points added (also provides access to frame-level data).

Exceptions

APIError	if the provided data is not compatible.
unspecified	Can throw any exception required by the implementing class to report errors.

Can be called once or multiple times for a frame. For all data objects currently implemented in the library (and all objects that will use AnalysisDataStorage for internal implementation), it is called exactly once for each frame if the data is not multipoint, but currently this restriction is not enforced.

Implements gmx::AbstractPlotModule.

void gmx::AbstractPlotModule::setFileName ( const std::string & filename )

inherited

Set the output file name.

If no file name is set (or if filename is empty), no output occurs.

void gmx::AbstractPlotModule::setLegend	(	int	nsets,
		const char const	setname
	)

inherited

Add legend from an array of strings.

Multiple calls to setLegend() and/or appendLegend() are added together.

void gmx::AbstractPlotModule::setOmitX ( bool bOmitX )

inherited

Omit the X coordinates from the output.

This method only makes sense when combined with setPlainOutput().

void gmx::AbstractPlotModule::setPlainOutput ( bool bPlain )

inherited

Set plain output.

If bPlain is true, no xvgr headers are written to the file. In this case, only setOmitX(), setXFormat(), and setYFormat() methods have any effect on the output.

void gmx::AbstractPlotModule::setSubtitle ( const std::string & subtitle )

inherited

Set plot subtitle.

void gmx::AbstractPlotModule::setTitle ( const std::string & title )

inherited

Set plot title.

void gmx::AbstractPlotModule::setXAxisIsTime ( )

inherited

Treat X axis as time.

Sets the label for the axis accordingly and also scales output to take into account the correct time unit.

void gmx::AbstractPlotModule::writeValue ( const AnalysisDataValue & value ) const

protectedinherited

Appends a single value to the current output line.

Parameters

[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.

The documentation for this class was generated from the following files:

api/legacy/include/gromacs/analysisdata/modules/plot.h
src/gromacs/analysisdata/modules/plot.cpp

Description

Public Types

Public Member Functions

Protected Member Functions

Member Enumeration Documentation

Member Function Documentation