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core::scoring::func::CircularSplineFunc Class Reference

#include <CircularSplineFunc.hh>

Inheritance diagram for core::scoring::func::CircularSplineFunc:
Inheritance graph
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Public Member Functions

 CircularSplineFunc ()
 
 CircularSplineFunc (core::Real weight_in, utility::vector1< core::Real > energies_in, bool convert_to_degrees=false)
 
 ~CircularSplineFunc () override
 
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
 Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More...
 
bool same_type_as_me (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...
 
core::Real get_weight ()
 
void train (utility::vector1< core::Real > energies_in)
 
void read_data (std::istream &in) override
 initialize this Func from the given std::istream. More...
 
core::Real func (core::Real const x) const override
 Returns a value representing this function evaluated at a given point. More...
 
core::Real dfunc (core::Real const x) const override
 Returns a value representing the derivative of this function evaluated at a given point. More...
 
void show_definition (std::ostream &out) const override
 show the definition of this CircularSplineFunc to the specified output stream. More...
 
core::Size show_violations (std::ostream &out, core::Real x, core::Size verbose_level, core::Real threshold=1) const override
 show some sort of stringified representation of the violations for this constraint. More...
 
- 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 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...
 

Private Attributes

core::Real weight_
 
bool convert_to_degrees_
 
numeric::interpolation::spline::CubicSpline spline_
 

Constructor & Destructor Documentation

core::scoring::func::CircularSplineFunc::CircularSplineFunc ( )
inline
core::scoring::func::CircularSplineFunc::CircularSplineFunc ( core::Real  weight_in,
utility::vector1< core::Real energies_in,
bool  convert_to_degrees = false 
)

References train().

core::scoring::func::CircularSplineFunc::~CircularSplineFunc ( )
inlineoverride

Member Function Documentation

FuncOP core::scoring::func::CircularSplineFunc::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.

core::Real core::scoring::func::CircularSplineFunc::dfunc ( core::Real const  const) const
overridevirtual

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

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

References convert_to_degrees_, spline_, and weight_.

core::Real core::scoring::func::CircularSplineFunc::func ( core::Real const  const) const
overridevirtual

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

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

References convert_to_degrees_, spline_, and weight_.

core::Real core::scoring::func::CircularSplineFunc::get_weight ( )
inline

References weight_.

bool core::scoring::func::CircularSplineFunc::operator== ( 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 convert_to_degrees_, core::scoring::func::Func::same_type_as_me(), same_type_as_me(), spline_, and weight_.

void core::scoring::func::CircularSplineFunc::read_data ( std::istream &  )
overridevirtual

initialize this Func from the given std::istream.

Reimplemented from core::scoring::func::Func.

References spline_, and weight_.

bool core::scoring::func::CircularSplineFunc::same_type_as_me ( 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.

Referenced by operator==().

void core::scoring::func::CircularSplineFunc::show_definition ( std::ostream &  out) const
overridevirtual

show the definition of this CircularSplineFunc to the specified output stream.

Reimplemented from core::scoring::func::Func.

core::Size core::scoring::func::CircularSplineFunc::show_violations ( std::ostream &  out,
core::Real  x,
core::Size  verbose_level,
core::Real  threshold = 1 
) const
overridevirtual

show some sort of stringified representation of the violations for this constraint.

Reimplemented from core::scoring::func::Func.

References core::scoring::func::Func::show_violations().

void core::scoring::func::CircularSplineFunc::train ( utility::vector1< core::Real energies_in)

References spline_.

Referenced by CircularSplineFunc().

Member Data Documentation

bool core::scoring::func::CircularSplineFunc::convert_to_degrees_
private

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

numeric::interpolation::spline::CubicSpline core::scoring::func::CircularSplineFunc::spline_
private

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

core::Real core::scoring::func::CircularSplineFunc::weight_
private

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