core::scoring::methods::LK_SigmoidalFunc Class Reference

Inheritance diagram for core::scoring::methods::LK_SigmoidalFunc:

Public Member Functions
	LK_SigmoidalFunc ()
func::FuncOP	clone () const
virtual Real	func (Real const x) const
	a Sigmoidal function that ramps from 1 to 0 over a certain range. Thanks to Mike Tyka for having a sigmoidal function on the top of his head. More...
virtual Real	dfunc (Real const x) const
	Returns a value representing the derivative of this function evaluated at a given point. More...
Public Member Functions inherited from core::scoring::func::Func
virtual	~Func ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
virtual void	read_data (std::istream &)
	initialize this Func from the given std::istream. 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...
virtual 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...
virtual Size	show_violations (std::ostream &out, Real r, Size verbose_level, Real threshold=1) const
	show some sort of stringified representation of the violations for this constraint. More...

Static Public Attributes
static Real const	ANGLE_CUTOFF_HIGH
	Ramp the score from 1 to 0 over the range from 100 degrees to 90 degrees. More...
static Real const	ANGLE_CUTOFF_LOW
static Real const	cos_flipped_ANGLE_CUTOFF_HIGH
static Real const	cos_flipped_ANGLE_CUTOFF_LOW

Constructor & Destructor Documentation

core::scoring::methods::LK_SigmoidalFunc::LK_SigmoidalFunc

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Member Function Documentation

core::scoring::func::FuncOP core::scoring::methods::LK_SigmoidalFunc::clone ( ) const

virtual

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

Real core::scoring::methods::LK_SigmoidalFunc::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.

References protocols::sic_dock::range().

Real core::scoring::methods::LK_SigmoidalFunc::func ( Real const  x ) const

virtual

a Sigmoidal function that ramps from 1 to 0 over a certain range. Thanks to Mike Tyka for having a sigmoidal function on the top of his head.

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

References protocols::sic_dock::range().

Member Data Documentation

Real const core::scoring::methods::LK_SigmoidalFunc::ANGLE_CUTOFF_HIGH

static

Ramp the score from 1 to 0 over the range from 100 degrees to 90 degrees.

Real const core::scoring::methods::LK_SigmoidalFunc::ANGLE_CUTOFF_LOW

static

Real const core::scoring::methods::LK_SigmoidalFunc::cos_flipped_ANGLE_CUTOFF_HIGH

static

Referenced by core::scoring::methods::LK_hack::calculate_derivatives_for_residue_pair(), and core::scoring::methods::LK_hack::residue_pair_energy().

Real const core::scoring::methods::LK_SigmoidalFunc::cos_flipped_ANGLE_CUTOFF_LOW

static

Referenced by core::scoring::methods::LK_hack::calculate_derivatives_for_residue_pair(), and core::scoring::methods::LK_hack::residue_pair_energy().

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

• src/core/scoring/methods/LK_hack.cc