Gromacs: gmx::AnalysisDataStorageFrame Class Reference

#include <gromacs/analysisdata/datastorage.h>

Allows assigning values for a data frame in AnalysisDataStorage.

This class implements the necessary methods to add new data into the storage. AnalysisDataStorage::startFrame() returns an object of this type, which can be used to add one or more point sets to that data frame. When all data has been added, finishFrame() needs to be called.

gmx::AnalysisDataStorageFrame::~AnalysisDataStorageFrame ( )

void gmx::AnalysisDataStorageFrame::finishFrame ( )

Finish storing a frame.

Must be called exactly once for each frame returned by startFrame(), after the corresponding call. The frame object must not be accessed after the call.

Calls notification methods in AnalysisDataModuleManager, and may throw any exceptions these methods throw.

void gmx::AnalysisDataStorageFrame::finishPointSet ( )

void gmx::AnalysisDataStorageFrame::selectDataSet ( int  index )

Select data set that all other methods operate on.

Parameters
[in] index Zero-based data set index to select.

With multipoint data, a single point set can only contain values in a single data set. With non-multipoint data, arbitrary sequences of selectDataSet() and setValue() are supported. The full frame is notified to the modules once it is finished.

Does not throw.

void gmx::AnalysisDataStorageFrame::setValue ( int  column,
real  value,
bool  bPresent = true 
)
inline

Sets value for a column.

Parameters
[in] column Zero-based column index.
[in] value Value to set for the column.
[in] bPresent Present flag to set for the column.

If called multiple times for a column (within one point set for multipoint data), old values are overwritten.

Does not throw.

void gmx::AnalysisDataStorageFrame::setValue ( int  column,
real  value,
real  error,
bool  bPresent = true 
)
inline

Sets value for a column.

Parameters
[in] column Zero-based column index.
[in] value Value to set for the column.
[in] error Error estimate to set for the column.
[in] bPresent Present flag to set for the column.

If called multiple times for a column (within one point set for multipoint data), old values are overwritten.

Does not throw.

real& gmx::AnalysisDataStorageFrame::value ( int  column )
inline

Access value for a column.

Parameters
[in] column Zero-based column index.

Should only be called after the column value has been set using setValue(); assigning a value to value(i) does not mark the column as set.

Does not throw.

real gmx::AnalysisDataStorageFrame::value ( int  column ) const
inline

Access value for a column.

Parameters
[in] column Zero-based column index.

Should only be called after the column value has been set using setValue().

Does not throw.


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

  • src/gromacs/analysisdata/datastorage.h
  • src/gromacs/analysisdata/datastorage.cpp

Read more here: Source link