numeric::interpolation::spline::BicubicSpline Class Reference

#include <BicubicSpline.hh>

Public Member Functions
	BicubicSpline ()
	Construct generic BicubicSpline. More...
BicubicSplineOP	clone () const
	clone function: make a copy and return owning pointer to the copy. More...
BicubicSpline *	Clone () const
	Captal-C Clone function: make a copy and return a raw pointer to the copy. More...
MathMatrix< Real > const &	get_values () const
	get the second order derivatives of the spline More...
MathMatrix< Real > const &	get_dsecox () const
MathMatrix< Real > const &	get_dsecoy () const
MathMatrix< Real > const &	get_dsecoxy () const
Real	F (const MathVector< Real > &ARGUMENTS) const
Real	dFdx (const MathVector< Real > &ARGUMENTS) const
Real	dFdy (const MathVector< Real > &ARGUMENTS) const
Real	F (Real x, Real y) const
Real	dFdx (Real x, Real y) const
Real	dFdy (Real x, Real y) const
std::pair< Real, MathVector < Real > >	FdF (const MathVector< Real > &ARGUMENTS) const
void	train (BorderFlag const BORDER[2], Real const START[2], Real const DELTA[2], MathMatrix< Real > const &RESULTS, bool const LINCONT[2], std::pair< Real, Real > const FIRSTBE[2])
	train BicubicSpline More...
Real	sqr (const Real &x) const

Private Attributes
BorderFlag	border_ [2]
	controls the behavior at x/y_0 and x/y_dim-1 More...
Real	start_ [2]
Real	delta_ [2]
	gives the arguments as a sequence of equidistant points More...
MathMatrix< Real >	values_
	f(x) More...
MathMatrix< Real >	dsecox_
	second order derivatives for x More...
MathMatrix< Real >	dsecoy_
	second order derivatives for y More...
MathMatrix< Real >	dsecoxy_
	second order derivatives for x and y More...
std::pair< Real, Real >	firstbe_ [2]
	first order derivative at x_0/dim-1, y_0/dim-1, z_0/dim-1 can be set for BorderFlag FIRSTDER More...
bool	LinCont_ [2]
	if the argument x is outside the range decide if the spline should be continued linearly More...

Constructor & Destructor Documentation

numeric::interpolation::spline::BicubicSpline::BicubicSpline ( )

inline

Construct generic BicubicSpline.

Referenced by Clone().

Member Function Documentation

BicubicSplineOP numeric::interpolation::spline::BicubicSpline::clone ( ) const

inline

clone function: make a copy and return owning pointer to the copy.

Referenced by numeric::interpolation::spline::deep_copy().

BicubicSpline* numeric::interpolation::spline::BicubicSpline::Clone ( ) const

inline

Captal-C Clone function: make a copy and return a raw pointer to the copy.

Why do we need this?!? –VKM, Nov 2018.

References BicubicSpline().

Real numeric::interpolation::spline::BicubicSpline::dFdx

(

const MathVector< Real > &

ARGUMENTS

)

const

Returns

partial derivative at (x, y) for x

partial derivative at certain (x, y) for x

References numeric::crick_equations::x(), and numeric::crick_equations::y().

Referenced by F(), and FdF().

Real numeric::interpolation::spline::BicubicSpline::dFdx	(	Real	x,
		Real	y
	)		const

Returns

partial derivative at (x, y) for x

partial derivative at certain (x, y) for x

References border_, delta_, dsecox_, dsecoxy_, dsecoy_, numeric::interpolation::spline::e_FirstDer, numeric::interpolation::spline::e_Natural, numeric::interpolation::spline::e_Periodic, test.T150_PyMOL_Integration::i, basic::options::OptionKeys::frags::j, sqr(), start_, values_, numeric::crick_equations::x(), and numeric::crick_equations::y().

Real numeric::interpolation::spline::BicubicSpline::dFdy

(

const MathVector< Real > &

ARGUMENTS

)

const

Returns

partial derivative at (x, y) for y

partial derivative at certain (x, y) for y

References numeric::crick_equations::x(), and numeric::crick_equations::y().

Referenced by F(), and FdF().

Real numeric::interpolation::spline::BicubicSpline::dFdy	(	Real	x,
		Real	y
	)		const

Returns

partial derivative at (x, y) for y

partial derivative at certain (x, y) for y

References border_, delta_, dsecox_, dsecoxy_, dsecoy_, numeric::interpolation::spline::e_FirstDer, numeric::interpolation::spline::e_Natural, numeric::interpolation::spline::e_Periodic, test.T150_PyMOL_Integration::i, basic::options::OptionKeys::frags::j, sqr(), start_, values_, numeric::crick_equations::x(), and numeric::crick_equations::y().

Real numeric::interpolation::spline::BicubicSpline::F

(

const MathVector< Real > &

ARGUMENTS

)

const

Returns

value at (x, y)

value at certain (x, y)

References F(), numeric::crick_equations::x(), and numeric::crick_equations::y().

Referenced by F(), and FdF().

Real numeric::interpolation::spline::BicubicSpline::F	(	Real	x,
		Real	y
	)		const

Returns

value at (x, y)

References border_, delta_, dFdx(), dFdy(), dsecox_, dsecoxy_, dsecoy_, numeric::interpolation::spline::e_FirstDer, numeric::interpolation::spline::e_Natural, numeric::interpolation::spline::e_Periodic, F(), assign_charges::first, firstbe_, test.T150_PyMOL_Integration::i, basic::options::OptionKeys::frags::j, numeric::MakeVector(), sqr(), start_, values_, numeric::crick_equations::x(), and numeric::crick_equations::y().

std::pair< Real, MathVector< Real > > numeric::interpolation::spline::BicubicSpline::FdF

(

const MathVector< Real > &

ARGUMENTS

)

const

Returns

value and derivative at (x, y)

value and derivative at certain (x, y)

References border_, delta_, dFdx(), dFdy(), dsecox_, dsecoxy_, dsecoy_, numeric::interpolation::spline::e_Periodic, F(), test.T150_PyMOL_Integration::i, basic::options::OptionKeys::frags::j, numeric::MakeVector(), sqr(), start_, values_, numeric::crick_equations::x(), and numeric::crick_equations::y().

MathMatrix< Real> const& numeric::interpolation::spline::BicubicSpline::get_dsecox ( ) const

inline

References dsecox_.

Referenced by numeric::interpolation::spline::TricubicSpline::train(), and numeric::interpolation::spline::PolycubicSpline< N >::train().

MathMatrix< Real> const& numeric::interpolation::spline::BicubicSpline::get_dsecoxy ( ) const

inline

References dsecoxy_.

Referenced by numeric::interpolation::spline::TricubicSpline::train(), and numeric::interpolation::spline::PolycubicSpline< N >::train().

MathMatrix< Real> const& numeric::interpolation::spline::BicubicSpline::get_dsecoy ( ) const

inline

References dsecoy_.

Referenced by numeric::interpolation::spline::TricubicSpline::train(), and numeric::interpolation::spline::PolycubicSpline< N >::train().

MathMatrix< Real> const& numeric::interpolation::spline::BicubicSpline::get_values ( ) const

inline

get the second order derivatives of the spline

References values_.

Real numeric::interpolation::spline::BicubicSpline::sqr ( const Real &  x ) const

inline

References numeric::crick_equations::x().

Referenced by dFdx(), dFdy(), F(), and FdF().

void numeric::interpolation::spline::BicubicSpline::train	(	BorderFlag const	BORDER[2],
		Real const	START[2],
		Real const	DELTA[2],
		MathMatrix< Real > const &	RESULTS,
		bool const	LINCONT[2],
		std::pair< Real, Real > const	FIRSTBE[2]
	)

train BicubicSpline

References border_, delta_, dsecox_, dsecoxy_, dsecoy_, firstbe_, numeric::MathMatrix< T >::get_col(), numeric::interpolation::spline::CubicSpline::get_dsecox(), numeric::MathMatrix< T >::get_number_cols(), numeric::MathMatrix< T >::get_number_rows(), numeric::MathMatrix< T >::get_row(), LinCont_, start_, numeric::interpolation::spline::CubicSpline::train(), and values_.

Referenced by numeric::interpolation::spline::TricubicSpline::train(), and numeric::interpolation::spline::PolycubicSpline< N >::train().

Member Data Documentation

BorderFlag numeric::interpolation::spline::BicubicSpline::border_[2]

private

controls the behavior at x/y_0 and x/y_dim-1

Referenced by dFdx(), dFdy(), F(), FdF(), and train().

Real numeric::interpolation::spline::BicubicSpline::delta_[2]

private

gives the arguments as a sequence of equidistant points

Referenced by dFdx(), dFdy(), F(), FdF(), and train().

MathMatrix< Real> numeric::interpolation::spline::BicubicSpline::dsecox_

private

second order derivatives for x

Referenced by dFdx(), dFdy(), F(), FdF(), get_dsecox(), and train().

MathMatrix< Real> numeric::interpolation::spline::BicubicSpline::dsecoxy_

private

second order derivatives for x and y

Referenced by dFdx(), dFdy(), F(), FdF(), get_dsecoxy(), and train().

MathMatrix< Real> numeric::interpolation::spline::BicubicSpline::dsecoy_

private

second order derivatives for y

Referenced by dFdx(), dFdy(), F(), FdF(), get_dsecoy(), and train().

std::pair< Real, Real> numeric::interpolation::spline::BicubicSpline::firstbe_[2]

private

first order derivative at x_0/dim-1, y_0/dim-1, z_0/dim-1 can be set for BorderFlag FIRSTDER

Referenced by F(), and train().

bool numeric::interpolation::spline::BicubicSpline::LinCont_[2]

private

if the argument x is outside the range decide if the spline should be continued linearly

Referenced by train().

Real numeric::interpolation::spline::BicubicSpline::start_[2]

private

Referenced by dFdx(), dFdy(), F(), FdF(), and train().

MathMatrix< Real> numeric::interpolation::spline::BicubicSpline::values_

private

f(x)

Referenced by dFdx(), dFdy(), F(), FdF(), get_values(), and train().

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

• src/numeric/interpolation/spline/BicubicSpline.hh
• src/numeric/interpolation/spline/BicubicSpline.cc