Rosetta  2020.46
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Classes | Typedefs | Enumerations | Functions
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< Realspline_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

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 > >

Enumeration Type Documentation

Enumerator
e_Natural 
e_Periodic 
e_FirstDer 

Function Documentation

BicubicSplineOP numeric::interpolation::spline::deep_copy ( BicubicSpline const &  source)
inline
CubicSplineOP numeric::interpolation::spline::deep_copy ( CubicSpline const &  source)
inline
PolycubicSplineBaseOP numeric::interpolation::spline::deep_copy ( PolycubicSplineBase const &  source)
inline
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(), 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(), 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 
)
utility::vector1< Real > numeric::interpolation::spline::spline_second_derivative ( utility::vector1< Real > const &  x,
utility::vector1< Real > const &  y,
Real  yp1,
Real  ypn 
)
Real numeric::interpolation::spline::sqr ( Real  x)