Gromacs
2024.4
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#include <gromacs/analysisdata/modules/plot.h>
Plotting module specifically for data consisting of vectors.
See AbstractPlotModule for common plotting options.
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... | |
Public Member Functions inherited from gmx::AbstractPlotModule | |
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... | |
Additional Inherited Members | |
Public Types inherited from gmx::IAnalysisDataModule | |
enum | Flag { efAllowMultipoint = 1 << 0, efOnlyMultipoint = 1 << 1, efAllowMulticolumn = 1 << 2, efAllowMissing = 1 << 3, efAllowMultipleDataSets = 1 << 4 } |
Possible flags for flags(). More... | |
Protected Member Functions inherited from gmx::AbstractPlotModule | |
AbstractPlotModule (const AnalysisDataPlotSettings &settings) | |
Creates AbstractPlotModule and assign common settings. | |
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... | |
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overridevirtual |
Called one or more times during each data frame.
[in] | points | Set of points added (also provides access to frame-level data). |
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.