core::scoring::func::SquareWellFunc Class Reference

#include <SquareWellFunc.hh>

Public Member Functions
	SquareWellFunc (Real const x0_in, Real const well_depth_in)
FuncOP	clone () const
Real	func (Real const x) const
	Returns a value representing this function evaluated at a given point. More...
Real	dfunc (Real const x) const
	Returns a value representing the derivative of this function evaluated at a given point. More...
void	read_data (std::istream &in)
	initialize this Func from the given std::istream. More...
void	show_definition (std::ostream &out) const
	shows the definition of this function, usually the string type of function and the parameters passed in to the constructor. More...
Real	x0 () const
Real	well_depth () const
void	x0 (Real x)
void	well_depth (Real well_depth)
Size	show_violations (std::ostream &out, Real x, Size verbose_level, core::Real threshold=1) const
	show some sort of stringified representation of the violations for this constraint. More...
Public Member Functions inherited from core::scoring::func::Func
virtual	~Func ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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
Real	x0_
Real	well_depth_

Constructor & Destructor Documentation

core::scoring::func::SquareWellFunc::SquareWellFunc ( Real const  x0_in, Real const  well_depth_in  )

inline

Referenced by clone().

Member Function Documentation

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

inlinevirtual

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

References SquareWellFunc().

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

virtual

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

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

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

virtual

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

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

References well_depth_, and x0_.

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

virtual

initialize this Func from the given std::istream.

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

References well_depth_, and x0_.

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

virtual

shows the definition of this function, usually the string type of function and the parameters passed in to the constructor.

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

References well_depth_, and x0_.

Size core::scoring::func::SquareWellFunc::show_violations ( std::ostream &  out, Real  r, Size  verbose_level, core::Real  threshold = 1  ) const

virtual

show some sort of stringified representation of the violations for this constraint.

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

References core::scoring::func::Func::show_violations(), and x0_.

Real core::scoring::func::SquareWellFunc::well_depth ( ) const

inline

References well_depth_.

void core::scoring::func::SquareWellFunc::well_depth ( Real  well_depth )

inline

References well_depth(), and well_depth_.

Referenced by well_depth().

Real core::scoring::func::SquareWellFunc::x0 ( ) const

inline

References x0_.

void core::scoring::func::SquareWellFunc::x0 ( Real  x )

inline

References x0_.

Member Data Documentation

Real core::scoring::func::SquareWellFunc::well_depth_

private

Referenced by func(), read_data(), show_definition(), and well_depth().

Real core::scoring::func::SquareWellFunc::x0_

private

Referenced by func(), read_data(), show_definition(), show_violations(), and x0().

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

• symlinks/rosetta/src/core/scoring/func/SquareWellFunc.hh
• symlinks/rosetta/src/core/scoring/func/SquareWellFunc.cc