#include <FullatomDisulfidePotential.hh>

Inheritance diagram for core::scoring::disulfides::CBSG_Dihedral_Func:

Collaboration diagram for core::scoring::disulfides::CBSG_Dihedral_Func:

Public Member Functions
	CBSG_Dihedral_Func ()

virtual	~CBSG_Dihedral_Func ()

virtual Real	func (Real const ) const

constraints::FuncOP	clone () const

virtual Real	dfunc (Real const ) const

Public Member Functions inherited from core::scoring::constraints::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...

Private Attributes
core::scoring::constraints::CircularSigmoidalFunc	csf_cbang1_

core::scoring::constraints::CircularSigmoidalFunc	csf_cbang2_

core::scoring::constraints::CircularSigmoidalFunc	csf_cbang3_

Detailed Description

Definition at line 111 of file FullatomDisulfidePotential.hh.

Constructor & Destructor Documentation

core::scoring::disulfides::CBSG_Dihedral_Func::CBSG_Dihedral_Func ( )

Definition at line 458 of file FullatomDisulfidePotential.cc.

Referenced by clone().

core::scoring::disulfides::CBSG_Dihedral_Func::~CBSG_Dihedral_Func ( )

virtual

Definition at line 472 of file FullatomDisulfidePotential.cc.

Member Function Documentation

constraints::FuncOP core::scoring::disulfides::CBSG_Dihedral_Func::clone ( ) const

inlinevirtual

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

Definition at line 122 of file FullatomDisulfidePotential.hh.

References CBSG_Dihedral_Func().

Real core::scoring::disulfides::CBSG_Dihedral_Func::dfunc ( Real const ang) const

virtual

Parameters

ang[in] Dihedral angle in radians

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

Definition at line 496 of file FullatomDisulfidePotential.cc.

References csf_cbang1_, csf_cbang2_, csf_cbang3_, and core::scoring::constraints::CircularSigmoidalFunc::dfunc().

Real core::scoring::disulfides::CBSG_Dihedral_Func::func ( Real const ang) const

virtual

Parameters

ang[in] Dihedral angle in radians

Note: This function is not continuous across 0 or 180 degrees. This is bad, and is only acceptable because it occurs at the maximums so we minimize away from the discontinuity. -Spencer

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

Definition at line 479 of file FullatomDisulfidePotential.cc.

References csf_cbang1_, csf_cbang2_, csf_cbang3_, and core::scoring::constraints::CircularSigmoidalFunc::func().