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

#include <FullatomDisulfidePotential.hh>

Inheritance diagram for core::scoring::disulfides::CBSG_Dihedral_Func:
Inheritance graph
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Public Member Functions

 CBSG_Dihedral_Func ()
 
 ~CBSG_Dihedral_Func () override
 
func::FuncOP clone () const override
 This method must return a deep copy of this Func, meaning if this Func holds pointers to other Func objects, that it must clone those Func objects as well. More...
 
bool operator== (Func const &other) const override
 
bool same_type_as_me (Func const &other) const override
 
Real func (Real const ) const override
 
Real dfunc (Real const ) const override
 
- Public Member Functions inherited from core::scoring::func::Func
 ~Func () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
virtual bool operator== (Func const &other) const =0
 Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More...
 
bool operator!= (Func const &other) const
 inequality operator – simply the negation of the (virtual) equality operator More...
 
virtual bool same_type_as_me (Func const &other) const =0
 Does the input Func, "other", have the same type as me? Necessary for the equality operator to function correctly. All derived Func classes must implement this function. 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::func::CircularSigmoidalFunc csf_cbang1_
 
core::scoring::func::CircularSigmoidalFunc csf_cbang2_
 
core::scoring::func::CircularSigmoidalFunc csf_cbang3_
 

Constructor & Destructor Documentation

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

Member Function Documentation

func::FuncOP core::scoring::disulfides::CBSG_Dihedral_Func::clone ( ) const
inlineoverridevirtual

This method must return a deep copy of this Func, meaning if this Func holds pointers to other Func objects, that it must clone those Func objects as well.

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

Real core::scoring::disulfides::CBSG_Dihedral_Func::dfunc ( Real const  ang) const
overridevirtual
Parameters
ang[in]Dihedral angle in radians

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

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

Real core::scoring::disulfides::CBSG_Dihedral_Func::func ( Real const  ang) const
overridevirtual
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::func::Func.

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

bool core::scoring::disulfides::CBSG_Dihedral_Func::operator== ( Func const &  other) const
override
bool core::scoring::disulfides::CBSG_Dihedral_Func::same_type_as_me ( Func const &  other) const
override

Referenced by operator==().

Member Data Documentation

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

Referenced by dfunc(), func(), and operator==().

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

Referenced by dfunc(), func(), and operator==().

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

Referenced by dfunc(), func(), and operator==().


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