gmx::anonymous_namespace{cubicsplinetable.cpp} Namespace Reference

Functions
void	calculateCubicSplineCoefficients (double functionValue0, double functionValue1, double derivativeValue0, double derivativeValue1, double spacing, double *Y, double *F, double *G, double *H)
	Calculate table elements from function/derivative data. More...
void	cubicSplineInterpolationFromFunctionAndDerivative (double functionValue0, double functionValue1, double derivativeValue0, double derivativeValue1, double spacing, double eps, double *interpolatedFunctionValue, double *interpolatedDerivativeValue)
	Perform cubic spline interpolation in interval from function/derivative. More...
void	fillSingleCubicSplineTableData (const std::function< double(double)> &function, const std::function< double(double)> &derivative, const std::pair< real, real > &range, double spacing, std::vector< real > *yfghTableData)
	Construct the data for a single cubic table from analytical functions. More...
void	fillSingleCubicSplineTableData (ArrayRef< const double > function, ArrayRef< const double > derivative, double inputSpacing, const std::pair< real, real > &range, double spacing, std::vector< real > *yfghTableData)
	Construct the data for a single cubic table from vector data. More...

Function Documentation

void gmx::anonymous_namespace{cubicsplinetable.cpp}::calculateCubicSplineCoefficients	(	double	functionValue0,
		double	functionValue1,
		double	derivativeValue0,
		double	derivativeValue1,
		double	spacing,
		double *	Y,
		double *	F,
		double *	G,
		double *	H
	)

Calculate table elements from function/derivative data.

Parameters

functionValue0	Function value for the present table index
functionValue1	Function value for the next table index
derivativeValue0	Derivative value for the present table index
derivativeValue1	Derivative value for the next table index
spacing	Distance between table points
Y	Function value for table index
F	Component to multiply with offset eps
G	Component to multiply with eps^2
H	Component to multiply with eps^3

void gmx::anonymous_namespace{cubicsplinetable.cpp}::cubicSplineInterpolationFromFunctionAndDerivative	(	double	functionValue0,
		double	functionValue1,
		double	derivativeValue0,
		double	derivativeValue1,
		double	spacing,
		double	eps,
		double *	interpolatedFunctionValue,
		double *	interpolatedDerivativeValue
	)

Perform cubic spline interpolation in interval from function/derivative.

Parameters

	functionValue0	Function value for the present table index
	functionValue1	Function value for the next table index
	derivativeValue0	Derivative value for the present table index
	derivativeValue1	Derivative value for the next table index
	spacing	Distance between table points
	eps	Offset from lower table point for evaluation
[out]	interpolatedFunctionValue	Output function value
[out]	interpolatedDerivativeValue	Output derivative value

void gmx::anonymous_namespace{cubicsplinetable.cpp}::fillSingleCubicSplineTableData	(	const std::function< double(double)> &	function,
		const std::function< double(double)> &	derivative,
		const std::pair< real, real > &	range,
		double	spacing,
		std::vector< real > *	yfghTableData
	)

Construct the data for a single cubic table from analytical functions.

Parameters

[in]	function	Analytical functiojn
[in]	derivative	Analytical derivative
[in]	range	Upper/lower limit of region to tabulate
[in]	spacing	Distance between table points
[out]	yfghTableData	Output cubic spline table with Y,F,G,H entries

void gmx::anonymous_namespace{cubicsplinetable.cpp}::fillSingleCubicSplineTableData	(	ArrayRef< const double >	function,
		ArrayRef< const double >	derivative,
		double	inputSpacing,
		const std::pair< real, real > &	range,
		double	spacing,
		std::vector< real > *	yfghTableData
	)

Construct the data for a single cubic table from vector data.

Parameters

[in]	function	Input vector with function data
[in]	derivative	Input vector with derivative data
[in]	inputSpacing	Distance between points in input vectors
[in]	range	Upper/lower limit of region to tabulate
[in]	spacing	Distance between table points
[out]	yfghTableData	Output cubic spline table with Y,F,G,H entries