core::scoring::constraints::CircularHarmonicFunc Class Reference

Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints. More...

#include <CircularHarmonicFunc.hh>

Inheritance diagram for core::scoring::constraints::CircularHarmonicFunc:

Collaboration diagram for core::scoring::constraints::CircularHarmonicFunc:

Public Member Functions
	CircularHarmonicFunc (Real const x0_radians, Real const sd_radians)
	CircularHarmonicFunc (Real const x0_radians, Real const sd_radians, Real const offset)
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...
virtual void	read_data (std::istream &in)
	initialize this Func from the given std::istream. 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...
Real	x0 () const
Real	sd () const
Public Member Functions inherited from core::scoring::constraints::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...
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...

Private Attributes
Real	x0_
Real	sd_
Real	offset_

Detailed Description

Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints.

Definition at line 29 of file CircularHarmonicFunc.hh.

Constructor & Destructor Documentation

core::scoring::constraints::CircularHarmonicFunc::CircularHarmonicFunc ( Real const  x0_radians, Real const  sd_radians  )

inline

Definition at line 31 of file CircularHarmonicFunc.hh.

Referenced by clone().

core::scoring::constraints::CircularHarmonicFunc::CircularHarmonicFunc ( Real const  x0_radians, Real const  sd_radians, Real const  offset  )

inline

Definition at line 35 of file CircularHarmonicFunc.hh.

Member Function Documentation

FuncOP core::scoring::constraints::CircularHarmonicFunc::clone ( ) const

inlinevirtual

Implements core::scoring::constraints::Func.

Definition at line 39 of file CircularHarmonicFunc.hh.

References CircularHarmonicFunc().

Real core::scoring::constraints::CircularHarmonicFunc::dfunc ( Real const  const) const

virtual

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

Implements core::scoring::constraints::Func.

Definition at line 31 of file CircularHarmonicFunc.cc.

References sd_, and x0_.

Real core::scoring::constraints::CircularHarmonicFunc::func ( Real const  const) const

virtual

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

Implements core::scoring::constraints::Func.

Definition at line 25 of file CircularHarmonicFunc.cc.

References offset_, sd_, and x0_.

void core::scoring::constraints::CircularHarmonicFunc::read_data ( std::istream &  )

virtual

initialize this Func from the given std::istream.

Reimplemented from core::scoring::constraints::Func.

Definition at line 36 of file CircularHarmonicFunc.cc.

References sd_, and x0_.

Real core::scoring::constraints::CircularHarmonicFunc::sd ( ) const

inline

Definition at line 51 of file CircularHarmonicFunc.hh.

References sd_.

void core::scoring::constraints::CircularHarmonicFunc::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::constraints::Func.

Definition at line 40 of file CircularHarmonicFunc.cc.

References sd_, and x0_.

Real core::scoring::constraints::CircularHarmonicFunc::x0 ( ) const

inline

Definition at line 47 of file CircularHarmonicFunc.hh.

References x0_.

Member Data Documentation

Real core::scoring::constraints::CircularHarmonicFunc::offset_

private

Definition at line 58 of file CircularHarmonicFunc.hh.

Referenced by func().

Real core::scoring::constraints::CircularHarmonicFunc::sd_

private

Definition at line 57 of file CircularHarmonicFunc.hh.

Referenced by dfunc(), func(), read_data(), sd(), and show_definition().

Real core::scoring::constraints::CircularHarmonicFunc::x0_

private

Definition at line 56 of file CircularHarmonicFunc.hh.

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

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

• src/core/scoring/constraints/CircularHarmonicFunc.hh
• src/core/scoring/constraints/CircularHarmonicFunc.cc