#include <akimaspline.h>

Inheritance diagram for votca::tools::AkimaSpline:

Collaboration diagram for votca::tools::AkimaSpline:

Public Member Functions
	AkimaSpline ()=default

	~AkimaSpline () override=default

double	getSlope (double m1, double m2, double m3, double m4)
	Calculate the slope according to the original Akima paper ("A New Method of Interpolation and Smooth Curve Fitting Based on Local Procedures")

void	Interpolate (const Eigen::VectorXd &x, const Eigen::VectorXd &y) override
	Calculate interpolating spline for given (x,y) values. Points on resulting spline can be obtained via Calculate().

void	Fit (const Eigen::VectorXd &x, const Eigen::VectorXd &y) override
	Fit spline through noisy (x,y) values. Points on resulting fitted spline can be obtained via Calculate().

double	Calculate (double r) override
	Calculate spline function value for a given x value on the spline created by Interpolate() or Fit()

double	CalculateDerivative (double r) override
	Calculate y value for a given x value on the derivative of the spline created by function Interpolate or Fit.

virtual double	Calculate (double x)=0
	Calculate spline function value for a given x value on the spline created by Interpolate() or Fit()

Eigen::VectorXd	Calculate (const Eigen::VectorXd &x)
	Calculate spline function values for given x values on the spline created by Interpolate() or Fit()

virtual double	CalculateDerivative (double x)=0
	Calculate y value for a given x value on the derivative of the spline created by function Interpolate or Fit.

Eigen::VectorXd	CalculateDerivative (const Eigen::VectorXd &x)
	Calculate y values for given x values on the derivative of the spline created by function Interpolate or Fit.

Public Member Functions inherited from votca::tools::Spline
	Spline ()=default

virtual	~Spline ()=default

virtual void	Interpolate (const Eigen::VectorXd &x, const Eigen::VectorXd &y)=0
	Calculate interpolating spline for given (x,y) values. Points on resulting spline can be obtained via Calculate().

virtual void	Fit (const Eigen::VectorXd &x, const Eigen::VectorXd &y)=0
	Fit spline through noisy (x,y) values. Points on resulting fitted spline can be obtained via Calculate().

virtual double	Calculate (double x)=0
	Calculate spline function value for a given x value on the spline created by Interpolate() or Fit()

virtual double	CalculateDerivative (double x)=0
	Calculate y value for a given x value on the derivative of the spline created by function Interpolate or Fit.

void	setBC (eBoundary bc)
	Set the boundary type of the spline.

void	setBCInt (Index bc)
	Set the boundary type of the spline.

double	getGridPoint (int i)
	Get the grid point of certain index.

Eigen::VectorXd	Calculate (const Eigen::VectorXd &x)
	Calculate spline function values for given x values on the spline created by Interpolate() or Fit()

Eigen::VectorXd	CalculateDerivative (const Eigen::VectorXd &x)
	Calculate y values for given x values on the derivative of the spline created by function Interpolate or Fit.

void	Print (std::ostream &out, double interval)
	Print spline values (using Calculate()) on output "out" on the entire grid in steps of "interval".

Index	getInterval (double r)
	Determine the index of the interval containing value r.

Index	GenerateGrid (double min, double max, double h)
	Generate the grid for fitting from "min" to "max" in steps of "h".

Eigen::VectorXd &	getX ()
	Get the grid array x.

const Eigen::VectorXd &	getX () const

Protected Attributes
Eigen::VectorXd	p0

Eigen::VectorXd	p1

Eigen::VectorXd	p2

Eigen::VectorXd	p3

Eigen::VectorXd	t

Protected Attributes inherited from votca::tools::Spline
eBoundary	boundaries_ = eBoundary::splineNormal
	Get the spline data f_.

Eigen::VectorXd	r_

Additional Inherited Members
Public Types inherited from votca::tools::Spline
enum	eBoundary { splineNormal = 0 , splinePeriodic = 1 , splineDerivativeZero = 2 }
	enum for type of boundary condition More...

Detailed Description

An Akima Spline Class.

does Akima interpolation based on the paper "A new method of interpolation and smooth curve fitting based on local procedures"

Fitting is not supported. In order to fit data, do linear fitting and interpolate the linear fitted values by Akima interpolation.

Definition at line 44 of file akimaspline.h.

Constructor & Destructor Documentation

◆ AkimaSpline()

votca::tools::AkimaSpline::AkimaSpline ( )

default

◆ ~AkimaSpline()

votca::tools::AkimaSpline::~AkimaSpline ( )

overridedefault

Member Function Documentation

◆ Calculate() [1/3]

Eigen::VectorXd votca::tools::Spline::Calculate ( const Eigen::VectorXd & x )

Calculate spline function values for given x values on the spline created by Interpolate() or Fit()

Parameters

x	vector of data values

Returns: vector of y value

Definition at line 116 of file spline.cc.

◆ Calculate() [2/3]

double votca::tools::AkimaSpline::Calculate ( double x )

overridevirtual

Calculate spline function value for a given x value on the spline created by Interpolate() or Fit()

Parameters

x	data value

Returns: y value

Implements votca::tools::Spline.

Definition at line 161 of file akimaspline.cc.

◆ Calculate() [3/3]

virtual double votca::tools::Spline::Calculate ( double x )

virtual

Calculate spline function value for a given x value on the spline created by Interpolate() or Fit()

Parameters

x	data value

Returns: y value

Implements votca::tools::Spline.

◆ CalculateDerivative() [1/3]

Eigen::VectorXd votca::tools::Spline::CalculateDerivative ( const Eigen::VectorXd & x )

Calculate y values for given x values on the derivative of the spline created by function Interpolate or Fit.

Parameters

x	vector of data values

Returns: vector of y value

Definition at line 124 of file spline.cc.

◆ CalculateDerivative() [2/3]

double votca::tools::AkimaSpline::CalculateDerivative ( double x )

overridevirtual

Calculate y value for a given x value on the derivative of the spline created by function Interpolate or Fit.

Parameters

x	data value

Returns: y value of derivative

Implements votca::tools::Spline.

Definition at line 168 of file akimaspline.cc.

◆ CalculateDerivative() [3/3]

virtual double votca::tools::Spline::CalculateDerivative ( double x )

virtual

Calculate y value for a given x value on the derivative of the spline created by function Interpolate or Fit.

Parameters

x	data value

Returns: y value of derivative

Implements votca::tools::Spline.

◆ Fit()

void votca::tools::AkimaSpline::Fit	(	const Eigen::VectorXd &	x,
		const Eigen::VectorXd &	y
	)

overridevirtual

Fit spline through noisy (x,y) values. Points on resulting fitted spline can be obtained via Calculate().

Parameters

x	values of data to be fitted
y	values of data to be fitted both vectors must be of same size

Implements votca::tools::Spline.

Definition at line 157 of file akimaspline.cc.

◆ getSlope()

double votca::tools::AkimaSpline::getSlope	(	double	m1,
		double	m2,
		double	m3,
		double	m4
	)

Calculate the slope according to the original Akima paper ("A New Method of Interpolation and Smooth Curve Fitting Based on Local Procedures")

Parameters

m1	slope of the first line segment connecting the five data points
m2	slope of the second line segment connecting the five data points
m3	slope of the third line segment connecting the five data points
m4	slope of the fourth line segment connecting the five data points

Returns: slope handles all special cases to determine the slope based on slopes m1,m2,m3,m4

Definition at line 174 of file akimaspline.cc.

◆ Interpolate()

void votca::tools::AkimaSpline::Interpolate	(	const Eigen::VectorXd &	x,
		const Eigen::VectorXd &	y
	)

overridevirtual

Calculate interpolating spline for given (x,y) values. Points on resulting spline can be obtained via Calculate().

Parameters

x	values of data to be interpolated
y	values of data to be interpolated both vectors must be of same size

Implements votca::tools::Spline.

Definition at line 30 of file akimaspline.cc.

Member Data Documentation

◆ p0

Eigen::VectorXd votca::tools::AkimaSpline::p0

protected

Definition at line 88 of file akimaspline.h.

◆ p1

Eigen::VectorXd votca::tools::AkimaSpline::p1

protected

Definition at line 89 of file akimaspline.h.

◆ p2

Eigen::VectorXd votca::tools::AkimaSpline::p2

protected

Definition at line 90 of file akimaspline.h.

◆ p3

Eigen::VectorXd votca::tools::AkimaSpline::p3

protected

Definition at line 91 of file akimaspline.h.

◆ t

Eigen::VectorXd votca::tools::AkimaSpline::t

protected

Definition at line 92 of file akimaspline.h.

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

tools/include/votca/tools/akimaspline.h
tools/src/libtools/akimaspline.cc

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ AkimaSpline()

◆ ~AkimaSpline()

Member Function Documentation

◆ Calculate() [1/3]

◆ Calculate() [2/3]

◆ Calculate() [3/3]

◆ CalculateDerivative() [1/3]

◆ CalculateDerivative() [2/3]

◆ CalculateDerivative() [3/3]

◆ Fit()

◆ getSlope()

◆ Interpolate()

Member Data Documentation

◆ p0

◆ p1

◆ p2

◆ p3

◆ t