#include <CircularSplineFunc.hh>

Inheritance diagram for core::scoring::func::CircularSplineFunc:

Public Member Functions
	CircularSplineFunc ()

	CircularSplineFunc (core::Real weight_in, utility::vector1< core::Real > energies_in, bool convert_to_degrees=false)

	~CircularSplineFunc () override

FuncOP	clone () const override
	This method must return a deep copy of this Func, meaning if this Func holds pointers to other Func objects, that it must clone those Func objects as well. More...

bool	operator== (Func const &other) const override
	Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More...

bool	same_type_as_me (Func const &other) const override
	Does the input Func, "other", have the same type as me? Necessary for the equality operator to function correctly. All derived Func classes must implement this function. More...

core::Real	get_weight ()

void	train (utility::vector1< core::Real > energies_in)

void	read_data (std::istream &in) override
	initialize this Func from the given std::istream. More...

core::Real	func (core::Real const x) const override
	Returns a value representing this function evaluated at a given point. More...

core::Real	dfunc (core::Real const x) const override
	Returns a value representing the derivative of this function evaluated at a given point. More...

void	show_definition (std::ostream &out) const override
	show the definition of this CircularSplineFunc to the specified output stream. More...

core::Size	show_violations (std::ostream &out, core::Real x, core::Size verbose_level, core::Real threshold=1) const override
	show some sort of stringified representation of the violations for this constraint. More...

Public Member Functions inherited from core::scoring::func::Func
	~Func () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...

bool	operator!= (Func const &other) const
	inequality operator – simply the negation of the (virtual) equality operator More...

virtual Real	estimate_dfunc (Real const r) const
	Estimates the derivative of this function at a given radius by calculating the slope of the secant line from func(r) and func(r+1e-05). More...

virtual Real	estimate_dfunc (Real const r, Real const h) const
	Estimates the derivative of this function at a given radius by calculating the slope of the secant line from func(r) and func(r+h). More...

virtual void	show (std::ostream &out) const
	Prints out space-delimited columns for r, func, dfunc and dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ). More...

Private Attributes
core::Real	weight_

bool	convert_to_degrees_

numeric::interpolation::spline::CubicSpline	spline_

Constructor & Destructor Documentation

core::scoring::func::CircularSplineFunc::CircularSplineFunc ( )

inline

core::scoring::func::CircularSplineFunc::CircularSplineFunc	(	core::Real	weight_in,
		utility::vector1< core::Real >	energies_in,
		bool	convert_to_degrees = `false`
	)

References train().

core::scoring::func::CircularSplineFunc::~CircularSplineFunc ( )

inlineoverride

Member Function Documentation

FuncOP core::scoring::func::CircularSplineFunc::clone ( ) const

inlineoverridevirtual

This method must return a deep copy of this Func, meaning if this Func holds pointers to other Func objects, that it must clone those Func objects as well.

Implements core::scoring::func::Func.

core::Real core::scoring::func::CircularSplineFunc::dfunc ( core::Real const const ) const

overridevirtual

Returns a value representing the derivative of this function evaluated at a given point.

Implements core::scoring::func::Func.

References convert_to_degrees_, spline_, and weight_.

core::Real core::scoring::func::CircularSplineFunc::func ( core::Real const const ) const

overridevirtual

Returns a value representing this function evaluated at a given point.

Implements core::scoring::func::Func.

References convert_to_degrees_, spline_, and weight_.

core::Real core::scoring::func::CircularSplineFunc::get_weight ( )

inline

References weight_.

bool core::scoring::func::CircularSplineFunc::operator== ( Func const & other ) const

overridevirtual

Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception.

Implements core::scoring::func::Func.

References convert_to_degrees_, core::scoring::func::Func::same_type_as_me(), same_type_as_me(), spline_, and weight_.

void core::scoring::func::CircularSplineFunc::read_data ( std::istream & )

overridevirtual

initialize this Func from the given std::istream.

Reimplemented from core::scoring::func::Func.

References spline_, and weight_.

bool core::scoring::func::CircularSplineFunc::same_type_as_me ( Func const & other ) const

overridevirtual

Does the input Func, "other", have the same type as me? Necessary for the equality operator to function correctly. All derived Func classes must implement this function.

Implements core::scoring::func::Func.

Referenced by operator==().

void core::scoring::func::CircularSplineFunc::show_definition ( std::ostream & out ) const

overridevirtual

show the definition of this CircularSplineFunc to the specified output stream.

Reimplemented from core::scoring::func::Func.

core::Size core::scoring::func::CircularSplineFunc::show_violations	(	std::ostream &	out,
		core::Real	x,
		core::Size	verbose_level,
		core::Real	threshold = `1`
	)		const