#include <gromacs/analysisdata/dataframe.h>

Description

Value type wrapper for non-mutable access to a data frame.

Default copy constructor and assignment operator are used and work as intended. Typically new objects of this type are only constructed internally by the library and in classes that are derived from AbstractAnalysisData.

Methods in this class do not throw, but may contain asserts for incorrect usage.

Note that it is not possible to change the contents of an initialized object, except by assigning a new object to replace it completely.

Public Member Functions
	AnalysisDataFrameRef ()
	Constructs an invalid frame reference. More...

	AnalysisDataFrameRef (const AnalysisDataFrameHeader &header, const AnalysisDataValuesRef &values, const AnalysisDataPointSetInfosRef &pointSets)
	Constructs a frame reference from given values. More...

	AnalysisDataFrameRef (const AnalysisDataFrameHeader &header, const std::vector< AnalysisDataValue > &values, const std::vector< AnalysisDataPointSetInfo > &pointSets)
	Constructs a frame reference from given values. More...

	AnalysisDataFrameRef (const AnalysisDataFrameRef &frame, int firstColumn, int columnCount)
	Constructs a frame reference to a subset of columns. More...

bool	isValid () const
	Returns whether the object refers to a valid frame. More...

const AnalysisDataFrameHeader &	header () const
	Returns the header for this frame.

int	frameIndex () const
	Returns zero-based index of the frame. More...

real	x () const
	Returns the x coordinate for the frame. More...

real	dx () const
	Returns error in the x coordinate for the frame (if applicable). More...

int	pointSetCount () const
	Returns the number of point sets for this frame. More...

AnalysisDataPointSetRef	pointSet (int index) const
	Returns point set reference for a given point set. More...

real	y (int i) const
	Convenience method for accessing a column value in simple data. More...

real	dy (int i) const
	Convenience method for accessing error for a column value in simple data. More...

bool	present (int i) const
	Convenience method for accessing present status for a column in simple data. More...

bool	allPresent () const
	Returns true if all points in this frame are present.

Constructor & Destructor Documentation

gmx::AnalysisDataFrameRef::AnalysisDataFrameRef ( )

Constructs an invalid frame reference.

Return values of other methods than isValid() are unspecified for the constructed object.

gmx::AnalysisDataFrameRef::AnalysisDataFrameRef	(	const AnalysisDataFrameHeader &	header,
		const AnalysisDataValuesRef &	values,
		const AnalysisDataPointSetInfosRef &	pointSets
	)

Constructs a frame reference from given values.

Parameters

[in]	header	Header for the frame.
[in]	values	Values for each column.
[in]	pointSets	Point set data.

gmx::AnalysisDataFrameRef::AnalysisDataFrameRef	(	const AnalysisDataFrameHeader &	header,
		const std::vector< AnalysisDataValue > &	values,
		const std::vector< AnalysisDataPointSetInfo > &	pointSets
	)

Constructs a frame reference from given values.

Parameters

[in]	header	Header for the frame.
[in]	values	Values for each column.
[in]	pointSets	Point set data.

gmx::AnalysisDataFrameRef::AnalysisDataFrameRef	(	const AnalysisDataFrameRef &	frame,
		int	firstColumn,
		int	columnCount
	)

Constructs a frame reference to a subset of columns.

Parameters

[in]	frame	Frame to use as source.
[in]	firstColumn	First column index to include.
[in]	columnCount	Number of columns to include.

Creates a frame reference that contains columnCount columns starting from firstColumn from frame, or a subset if all requested columns are not present in frame.

Mainly intended for internal use.

Member Function Documentation

real gmx::AnalysisDataFrameRef::dx ( ) const

inline

Returns error in the x coordinate for the frame (if applicable).

All data do not provide error estimates. Typically returns zero in those cases.

Should not be called for invalid frames.

real gmx::AnalysisDataFrameRef::dy ( int i ) const

inline

Convenience method for accessing error for a column value in simple data.

Parameters

[in] i Zero-based column index relative to firstColumn(). Should be >= 0 and < columnCount().

Currently, this method returns zero if the source data does not specify errors.

int gmx::AnalysisDataFrameRef::frameIndex ( ) const

inline

Returns zero-based index of the frame.

The return value is >= 0 for valid frames. Should not be called for invalid frames.

bool gmx::AnalysisDataFrameRef::isValid ( ) const

inline

Returns whether the object refers to a valid frame.

If returns false, return values of other methods are not specified.

AnalysisDataPointSetRef gmx::AnalysisDataFrameRef::pointSet ( int index ) const

inline

Returns point set reference for a given point set.

Should not be called for invalid frames.

int gmx::AnalysisDataFrameRef::pointSetCount ( ) const

inline

Returns the number of point sets for this frame.

Returns zero for an invalid frame.

bool gmx::AnalysisDataFrameRef::present ( int i ) const

inline

Convenience method for accessing present status for a column in simple data.

Parameters

[in] i Zero-based column index relative to firstColumn(). Should be >= 0 and < columnCount().

If present(i) returns false, it is depends on the source data whether y(i) and/or dy(i) are defined.

real gmx::AnalysisDataFrameRef::x ( ) const

inline

Returns the x coordinate for the frame.

Should not be called for invalid frames.

real gmx::AnalysisDataFrameRef::y ( int i ) const

inline

Convenience method for accessing a column value in simple data.

Parameters

[in] i Zero-based column index relative to firstColumn(). Should be >= 0 and < columnCount().

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

src/gromacs/analysisdata/dataframe.h
src/gromacs/analysisdata/dataframe.cpp

Description

Public Member Functions

Constructor & Destructor Documentation

Member Function Documentation