#include <gromacs/applied_forces/awh/correlationtensor.h>

Description

Correlation block averaging weight-only data.

Classes
struct	CoordData
	Correlation block averaging data. More...

Public Member Functions
	CorrelationBlockData (int numDim, double blockLengthInit)
	Constructor. More...

void	restoreFromHistory (const CorrelationBlockDataHistory &blockHistory, const std::vector< CoordData > &coordData, const std::vector< double > &correlationIntegral)
	Restore the state from history. More...

void	addData (double weight, gmx::ArrayRef< const double > data)
	Adds a weighted data vector to one point in the correlation grid. More...

void	addBlockToCorrelationIntegral ()
	Adds a filled data block to correlation time integral.

double	blockSumWeight () const
	Returns the sum weights for current block.

double	blockSumSquareWeight () const
	Returns the sum weights^2 for current block.

double	sumOverBlocksSquareBlockWeight () const
	Returns the sum over blocks of block weight^2.

double	sumOverBlocksBlockSquareWeight () const
	Returns the sum over blocks of weight^2.

double	blockLength () const
	Returns the length of each block used for block averaging.

void	doubleBlockLength ()
	Double the length of each block used for block averaging.

int	previousBlockIndex () const
	Return the last block index data was added to (needed only for block length in terms of time).

void	setPreviousBlockIndex (int blockIndex)
	Set the last block index data was added to. More...

const std::vector< CoordData > &	coordData () const
	Return sums for each coordinate dimension.

const std::vector< double > &	correlationIntegral () const
	Return the correlation integral tensor.

Constructor & Destructor Documentation

gmx::CorrelationBlockData::CorrelationBlockData	(	int	numDim,
		double	blockLengthInit
	)

inline

Constructor.

Parameters

[in]	numDim	The dimensionality.
[in]	blockLengthInit	The initial block length.

void gmx::CorrelationBlockData::addData	(	double	weight,
		gmx::ArrayRef< const double >	data
	)

inline

Adds a weighted data vector to one point in the correlation grid.

Parameters

[in]	weight	The weight of the data.
[in]	data	One data point for each grid dimension.

void gmx::CorrelationBlockData::restoreFromHistory	(	const CorrelationBlockDataHistory &	blockHistory,
		const std::vector< CoordData > &	coordData,
		const std::vector< double > &	correlationIntegral
	)

Restore the state from history.

Parameters

[in]	blockHistory	The block data history containing the weight sums.
[in]	coordData	The coordinate data.
[in]	correlationIntegral	The correlation integral for all tensor elements.

void gmx::CorrelationBlockData::setPreviousBlockIndex ( int blockIndex )

inline

Set the last block index data was added to.

Parameters

[in] blockIndex The block index.

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