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core::scoring::constraints::CircularGeneral1D_Func Class Reference

Function that allows return of arbitrary FArrays – this time circularized. More...

#include <CircularGeneral1D_Func.hh>

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Public Member Functions

 CircularGeneral1D_Func (ObjexxFCL::FArray1D< core::Real > const &data, core::Real const &xmin, core::Real const &xbin)
 
 CircularGeneral1D_Func (std::string const &filename)
 
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...
 
- 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

ObjexxFCL::FArray1D< core::Realdata_
 
Real xmin_
 
Real xbin_
 
Size num_bins_
 

Detailed Description

Function that allows return of arbitrary FArrays – this time circularized.

Constructor & Destructor Documentation

core::scoring::constraints::CircularGeneral1D_Func::CircularGeneral1D_Func ( ObjexxFCL::FArray1D< core::Real > const &  data,
core::Real const &  xmin,
core::Real const &  xbin 
)

Referenced by clone().

core::scoring::constraints::CircularGeneral1D_Func::CircularGeneral1D_Func ( std::string const &  filename)

References data_, num_bins_, xbin_, and xmin_.

Member Function Documentation

FuncOP core::scoring::constraints::CircularGeneral1D_Func::clone ( ) const
inlinevirtual
Real core::scoring::constraints::CircularGeneral1D_Func::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.

References data_, num_bins_, xbin_, and xmin_.

Real core::scoring::constraints::CircularGeneral1D_Func::func ( Real const  const) const
virtual

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

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

References data_, num_bins_, xbin_, and xmin_.

Member Data Documentation

ObjexxFCL::FArray1D< core::Real > core::scoring::constraints::CircularGeneral1D_Func::data_
private

Referenced by CircularGeneral1D_Func(), dfunc(), and func().

Size core::scoring::constraints::CircularGeneral1D_Func::num_bins_
private

Referenced by CircularGeneral1D_Func(), dfunc(), and func().

Real core::scoring::constraints::CircularGeneral1D_Func::xbin_
private

Referenced by CircularGeneral1D_Func(), dfunc(), and func().

Real core::scoring::constraints::CircularGeneral1D_Func::xmin_
private

Referenced by CircularGeneral1D_Func(), dfunc(), and func().


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