molpro::linalg::itsolv::Interpolate Class Reference

#include <Interpolate.h>

Classes
struct	point

Public Member Functions
	Interpolate (point p0, point p1, std::string interpolant="cubic", int verbosity=0)
	Construct the interpolant. More...
point	operator() (double x) const
	Evaluate the interpolant and its derivative at a given point. More...
Interpolate::point	minimize (double xa, double xb, size_t bracket_grid=100, size_t max_bracket_grid=100000, bool analytic=true) const
	Find the minimum of the interpolant within a range. More...
Interpolate::point	minimize_cubic () const
const std::vector< double > &	parameters () const

Static Public Member Functions
static std::vector< std::string >	interpolants ()

Friends
std::ostream &	operator<< (std::ostream &os, const Interpolate &interpolant)

Constructor & Destructor Documentation

Interpolate()

Interpolate::Interpolate ( point  p0, point  p1, std::string  interpolant = "cubic", int  verbosity = 0  )

explicit

Construct the interpolant.

Parameters

p0	Defining point
p1	Defining point
interpolant	The interpolation method. An exception is thrown if it is not one of the implemented values.
verbosity	Values greater than zero show information on constructing and using the interpolant.

Member Function Documentation

interpolants()

std::vector< std::string > Interpolate::interpolants ( )

static

minimize()

Interpolate::point Interpolate::minimize	(	double	xa,
		double	xb,
		size_t	bracket_grid = 100,
		size_t	max_bracket_grid = 100000,
		bool	analytic = true
	)		const

Find the minimum of the interpolant within a range.

Parameters

xa	first bound of range
xb	second bound of range
bracket_grid	number of intervals in |xa-xb|, to be considered in initial bracketing of the minimum. Large values result in many function evaluations, but if set too small in cases of multiple minima, the global minimum may not be found.

Returns

The minimum point. The result may be one of Interpolate(xa), Interpolate(xb) with non-zero first derivative, if no other minimum was found in the interval

minimize_cubic()

Interpolate::point Interpolate::minimize_cubic

(

)

const

operator()()

Interpolate::point Interpolate::operator()

(

double

x

)

const

Evaluate the interpolant and its derivative at a given point.

Parameters

x

Returns

parameters()

const std::vector< double > & molpro::linalg::itsolv::Interpolate::parameters ( ) const

inline

Friends And Related Function Documentation

operator<<

std::ostream & operator<< ( std::ostream &  os, const Interpolate &  interpolant  )

friend