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core::scoring::custom_pair_distance::DistanceFunc Class Reference

#include <FullatomCustomPairDistanceEnergy.hh>

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Public Member Functions

 DistanceFunc (std::string const name)
 NOTE: distance functions should be input in square-distance bins. More...
 
virtual ~DistanceFunc ()
 
constraints::FuncOP clone () const
 
virtual Real func (Real const ) const
 Returns a value representing this function evaluated at a given point. More...
 
virtual Real dfunc (Real const ) const
 Returns a value representing the derivative of this function evaluated at a given point. More...
 
virtual Real max_dis () const
 
virtual Real min_dis () 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

numeric::interpolation::HistogramCOP
< Real, Real >::Type 
scores_hist_
 

Constructor & Destructor Documentation

core::scoring::custom_pair_distance::DistanceFunc::DistanceFunc ( std::string const  name)

NOTE: distance functions should be input in square-distance bins.

Referenced by clone().

core::scoring::custom_pair_distance::DistanceFunc::~DistanceFunc ( )
virtual

Member Function Documentation

constraints::FuncOP core::scoring::custom_pair_distance::DistanceFunc::clone ( ) const
inlinevirtual
Real core::scoring::custom_pair_distance::DistanceFunc::dfunc ( 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::custom_pair_distance::DistanceFunc::func ( Real  const) const
virtual

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

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

Real core::scoring::custom_pair_distance::DistanceFunc::max_dis ( ) const
virtual
Real core::scoring::custom_pair_distance::DistanceFunc::min_dis ( ) const
virtual

Member Data Documentation

numeric::interpolation::HistogramCOP<Real,Real>::Type core::scoring::custom_pair_distance::DistanceFunc::scores_hist_
private

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