numeric::interpolation::spline Namespace Reference

Classes
class	BicubicSpline
struct	compare_interp_range
class	CompoundInterpolator
class	CubicSpline
struct	interp_range
class	Interpolator
struct	LinearFunction
struct	OrderPoint
struct	Point
class	PolycubicSpline
class	PolycubicSpline< 1 >
class	PolycubicSpline< 2 >
class	PolycubicSplineBase
class	SimpleInterpolator
class	SplineGenerator
class	TricubicSpline

Typedefs
typedef utility::pointer::shared_ptr < BicubicSpline >	BicubicSplineOP
typedef utility::pointer::shared_ptr < BicubicSpline const >	BicubicSplineCOP
typedef utility::pointer::shared_ptr < CompoundInterpolator >	CompoundInterpolatorOP
typedef utility::pointer::shared_ptr < CompoundInterpolator const >	CompoundInterpolatorCOP
typedef utility::pointer::shared_ptr < CubicSpline >	CubicSplineOP
typedef utility::pointer::shared_ptr < CubicSpline const >	CubicSplineCOP
typedef utility::pointer::shared_ptr < Interpolator >	InterpolatorOP
typedef utility::pointer::shared_ptr < Interpolator const >	InterpolatorCOP
template<numeric::Size N>
using	PolycubicSplineOP = utility::pointer::shared_ptr< PolycubicSpline< N > >
template<numeric::Size N>
using	PolycubicSplineCOP = utility::pointer::shared_ptr< PolycubicSpline< N > const >
typedef utility::pointer::shared_ptr < PolycubicSplineBase >	PolycubicSplineBaseOP
typedef utility::pointer::shared_ptr < PolycubicSplineBase const >	PolycubicSplineBaseCOP
typedef utility::pointer::shared_ptr < SimpleInterpolator >	SimpleInterpolatorOP
typedef utility::pointer::shared_ptr < SimpleInterpolator const >	SimpleInterpolatorCOP

Enumerations
enum	BorderFlag { e_Natural, e_Periodic, e_FirstDer }

Functions
BicubicSplineOP	deep_copy (BicubicSpline const &source)
CubicSplineOP	deep_copy (CubicSpline const &)
void	hokey_template_workaround ()
	Dummy function, never to be called. This is only here to ensure that the compiler creates PolycubicSpline<3> through PolycubicSpline<9> classes. More...
Real	get_PolycubicSpline_F (PolycubicSplineBaseCOP splinebase, utility::vector1< Real > const &coords)
	Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::F and return the value. More...
void	get_PolycubicSpline_gradient (PolycubicSplineBaseCOP splinebase, utility::vector1< Real > const &coords, utility::vector1< Real > &gradient_out)
	Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::dFdall and return the value. More...
PolycubicSplineBaseOP	deep_copy (PolycubicSplineBase const &)
utility::vector1< Real >	spline_second_derivative (utility::vector1< Real > const &x, utility::vector1< Real > const &y, Real yp1, Real ypn)
void	spline_interpolate (utility::vector1< Real > const &xa, utility::vector1< Real > const &ya, utility::vector1< Real > const &y2a, Real x, Real &y, Real &dy)
Real	sqr (Real x)

Typedef Documentation

typedef utility::pointer::shared_ptr< BicubicSpline const > numeric::interpolation::spline::BicubicSplineCOP

typedef utility::pointer::shared_ptr< BicubicSpline > numeric::interpolation::spline::BicubicSplineOP

typedef utility::pointer::shared_ptr< CompoundInterpolator const > numeric::interpolation::spline::CompoundInterpolatorCOP

typedef utility::pointer::shared_ptr< CompoundInterpolator > numeric::interpolation::spline::CompoundInterpolatorOP

typedef utility::pointer::shared_ptr< CubicSpline const > numeric::interpolation::spline::CubicSplineCOP

typedef utility::pointer::shared_ptr< CubicSpline > numeric::interpolation::spline::CubicSplineOP

typedef utility::pointer::shared_ptr< Interpolator const > numeric::interpolation::spline::InterpolatorCOP

typedef utility::pointer::shared_ptr< Interpolator > numeric::interpolation::spline::InterpolatorOP

typedef utility::pointer::shared_ptr< PolycubicSplineBase const > numeric::interpolation::spline::PolycubicSplineBaseCOP

typedef utility::pointer::shared_ptr< PolycubicSplineBase > numeric::interpolation::spline::PolycubicSplineBaseOP

template<numeric::Size N>

using numeric::interpolation::spline::PolycubicSplineCOP = typedef utility::pointer::shared_ptr< PolycubicSpline< N > const >

template<numeric::Size N>

using numeric::interpolation::spline::PolycubicSplineOP = typedef utility::pointer::shared_ptr< PolycubicSpline< N > >

typedef utility::pointer::shared_ptr< SimpleInterpolator const > numeric::interpolation::spline::SimpleInterpolatorCOP

typedef utility::pointer::shared_ptr< SimpleInterpolator > numeric::interpolation::spline::SimpleInterpolatorOP

Enumeration Type Documentation

enum numeric::interpolation::spline::BorderFlag

Enumerator
e_Natural
e_Periodic
e_FirstDer

Function Documentation

BicubicSplineOP numeric::interpolation::spline::deep_copy ( BicubicSpline const &  source )

inline

References numeric::interpolation::spline::BicubicSpline::clone().

Referenced by utility::pointer::DeepCopyOP< T >::operator=().

CubicSplineOP numeric::interpolation::spline::deep_copy ( CubicSpline const &  source )

inline

References numeric::interpolation::spline::CubicSpline::clone().

PolycubicSplineBaseOP numeric::interpolation::spline::deep_copy ( PolycubicSplineBase const &  source )

inline

References numeric::interpolation::spline::PolycubicSplineBase::clone().

Real numeric::interpolation::spline::get_PolycubicSpline_F	(	PolycubicSplineBaseCOP	splinebase,
		utility::vector1< Real > const &	coords
	)

Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::F and return the value.

Convenience function to hide the switch/case logic. Only works for PolycubicSplines of dimensionality 3 through 9.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).

References utility::pointer::dynamic_pointer_cast(), test.T150_PyMOL_Integration::i, runtime_assert, and utility_exit_with_message.

void numeric::interpolation::spline::get_PolycubicSpline_gradient	(	PolycubicSplineBaseCOP	splinebase,
		utility::vector1< Real > const &	coords,
		utility::vector1< Real > &	gradient_out
	)

Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::dFdall and return the value.

Convenience function to hide the switch/case logic. Only works for PolycubicSplines of dimensionality 3 through 9.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).

References utility::pointer::dynamic_pointer_cast(), test.T150_PyMOL_Integration::i, pyrosetta.tests.__main__::result, runtime_assert, and utility_exit_with_message.

void numeric::interpolation::spline::hokey_template_workaround

(

)

Dummy function, never to be called. This is only here to ensure that the compiler creates PolycubicSpline<3> through PolycubicSpline<9> classes.

References numeric::interpolation::spline::PolycubicSpline< N >::dFdxi(), numeric::interpolation::spline::PolycubicSpline< N >::F(), and numeric::interpolation::spline::PolycubicSpline< N >::train().

void numeric::interpolation::spline::spline_interpolate	(	utility::vector1< Real > const &	xa,
		utility::vector1< Real > const &	ya,
		utility::vector1< Real > const &	y2a,
		Real	x,
		Real &	y,
		Real &	dy
	)

References a, basic::options::OptionKeys::score::fiber_diffraction::b, and numeric::crick_equations::x().

Referenced by numeric::interpolation::spline::SimpleInterpolator::interpolate().

utility::vector1< Real > numeric::interpolation::spline::spline_second_derivative	(	utility::vector1< Real > const &	x,
		utility::vector1< Real > const &	y,
		Real	yp1,
		Real	ypn
	)

References test.T150_PyMOL_Integration::i, and basic::options::OptionKeys::score::fiber_diffraction::p.

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

Real numeric::interpolation::spline::sqr

(

Real

x

)

References numeric::crick_equations::x().

Referenced by numeric::interpolation::spline::TricubicSpline::dFdx(), numeric::interpolation::spline::PolycubicSpline< N >::dFdxi(), numeric::interpolation::spline::TricubicSpline::dFdy(), numeric::interpolation::spline::TricubicSpline::dFdz(), numeric::interpolation::spline::TricubicSpline::F(), and numeric::interpolation::spline::PolycubicSpline< N >::F().