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core::scoring::disulfides::CBSG_Dihedral_Func Class Reference

#include <FullatomDisulfidePotential.hh>

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

Constructor & Destructor Documentation

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

Referenced by clone().

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

Member Function Documentation

constraints::FuncOP core::scoring::disulfides::CBSG_Dihedral_Func::clone ( ) const
inlinevirtual
Real core::scoring::disulfides::CBSG_Dihedral_Func::dfunc ( Real const  ang) const
virtual
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.

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

Member Data Documentation

core::scoring::constraints::CircularSigmoidalFunc core::scoring::disulfides::CBSG_Dihedral_Func::csf_cbang1_
private

Referenced by dfunc(), and func().

core::scoring::constraints::CircularSigmoidalFunc core::scoring::disulfides::CBSG_Dihedral_Func::csf_cbang2_
private

Referenced by dfunc(), and func().

core::scoring::constraints::CircularSigmoidalFunc core::scoring::disulfides::CBSG_Dihedral_Func::csf_cbang3_
private

Referenced by dfunc(), and func().


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