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

#include <FullatomCustomPairDistanceEnergy.hh>

Inheritance diagram for core::scoring::custom_pair_distance::DistanceFunc:
Inheritance graph
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Public Member Functions

 DistanceFunc (std::string const &name)
 NOTE: distance functions should be input in square-distance bins. More...
 
 ~DistanceFunc () 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::Func const &rhs) const override
 Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More...
 
bool same_type_as_me (func::Func const &other) const override
 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...
 
Real func (Real const ) const override
 Returns a value representing this function evaluated at a given point. More...
 
Real dfunc (Real const ) const override
 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::func::Func
 ~Func () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
bool operator!= (Func const &other) const
 inequality operator – simply the negation of the (virtual) equality operator 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.

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

Member Function Documentation

func::FuncOP core::scoring::custom_pair_distance::DistanceFunc::clone ( ) const
overridevirtual

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::custom_pair_distance::DistanceFunc::dfunc ( Real  const) const
overridevirtual

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

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

Real core::scoring::custom_pair_distance::DistanceFunc::func ( Real  const) const
overridevirtual

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

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

Real core::scoring::custom_pair_distance::DistanceFunc::max_dis ( ) const
virtual
Real core::scoring::custom_pair_distance::DistanceFunc::min_dis ( ) const
virtual
bool core::scoring::custom_pair_distance::DistanceFunc::operator== ( func::Func const &  other) const
overridevirtual

Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception.

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

References core::scoring::func::Func::same_type_as_me(), and scores_hist_.

bool core::scoring::custom_pair_distance::DistanceFunc::same_type_as_me ( func::Func const &  other) const
overridevirtual

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.

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

Member Data Documentation

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

Referenced by operator==().


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