Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Static Private Attributes | List of all members
core::scoring::disulfides::Cb_Distance_Func Class Reference

Score based on the distance between Cb. More...

#include <CentroidDisulfidePotential.hh>

Inheritance diagram for core::scoring::disulfides::Cb_Distance_Func:
Inheritance graph
[legend]
Collaboration diagram for core::scoring::disulfides::Cb_Distance_Func:
Collaboration graph
[legend]

Public Member Functions

 Cb_Distance_Func ()
 
virtual ~Cb_Distance_Func ()
 
constraints::FuncOP clone () const
 
virtual core::Real func (core::Real const ) const
 Returns a value representing this function evaluated at a given point. More...
 
virtual core::Real dfunc (core::Real const ) const
 Returns a value representing the derivative of this function evaluated at a given point. More...
 
- 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...
 

Static Private Attributes

static const Real means_ [3] = { 12.445, 15.327, 14.0 }
 
static const Real sds_ [3] = { 1.1737973, 2.1955666, 0.3535534 }
 
static const Real weights_ [3] = {10.8864116, 33.5711622, 0.2658681 }
 
static const Real base_score_ = 0.0
 

Detailed Description

Score based on the distance between Cb.

Based on the rosetta++ scores by Bill Schief in 2002.

Uses a sum of three gaussians.

Constructor & Destructor Documentation

core::scoring::disulfides::Cb_Distance_Func::Cb_Distance_Func ( )

Referenced by clone().

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

Member Function Documentation

constraints::FuncOP core::scoring::disulfides::Cb_Distance_Func::clone ( ) const
inlinevirtual
Real core::scoring::disulfides::Cb_Distance_Func::dfunc ( core::Real  const) const
virtual

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

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

Real core::scoring::disulfides::Cb_Distance_Func::func ( core::Real  const) const
virtual

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

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

References core::scoring::constraints::dgaussian().

Member Data Documentation

const Real core::scoring::disulfides::Cb_Distance_Func::base_score_ = 0.0
staticprivate
const Real core::scoring::disulfides::Cb_Distance_Func::means_ = { 12.445, 15.327, 14.0 }
staticprivate
const Real core::scoring::disulfides::Cb_Distance_Func::sds_ = { 1.1737973, 2.1955666, 0.3535534 }
staticprivate
const Real core::scoring::disulfides::Cb_Distance_Func::weights_ = {10.8864116, 33.5711622, 0.2658681 }
staticprivate

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