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core::scoring::constraints::SplineFunc Class Reference

#include <SplineFunc.hh>

Inheritance diagram for core::scoring::constraints::SplineFunc:
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Public Member Functions

 SplineFunc ()
 
 ~SplineFunc ()
 
virtual FuncOP clone () const
 returns a clone of this SplineFunc More...
 
core::Real get_exp_val ()
 return SplineFunc member variables More...
 
std::string get_filename ()
 
std::string get_KB_description ()
 
core::Real get_weight ()
 
core::Real get_bin_size ()
 
core::Real get_lower_bound_x ()
 
core::Real get_upper_bound_x ()
 
core::Real get_lower_bound_y ()
 
core::Real get_upper_bound_y ()
 
core::Real get_lower_bound_dy ()
 
core::Real get_upper_bound_dy ()
 
virtual void read_data (std::istream &in)
 initialize this SplineFunc from the given izstream. More...
 
virtual core::Real func (core::Real const x) const
 Returns the value of this SplineFunc evaluated at distance x. More...
 
virtual core::Real dfunc (core::Real const x) const
 Returns the value of the first derivative of this SplineFunc at distance x. More...
 
virtual void show_definition (std::ostream &out) const
 show the definition of this SplineFunc to the specified output stream. More...
 
virtual core::Size show_violations (std::ostream &out, core::Real x, core::Size verbose_level, core::Real threshold=1) const
 show some sort of stringified representation of the violations for this constraint. More...
 
- Public Member Functions inherited from core::scoring::constraints::Func
virtual ~Func ()
 Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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 exp_val_
 
std::string filename_
 
std::string KB_description_
 
core::Real weight_
 
core::Real bin_size_
 
core::Real lower_bound_x_
 
core::Real lower_bound_y_
 
core::Real upper_bound_x_
 
core::Real upper_bound_y_
 
core::Real lower_bound_dy_
 
core::Real upper_bound_dy_
 
utility::vector1< core::Realbins_vect_
 
utility::vector1< core::Real >
::size_type 
bins_vect_size_
 
utility::vector1< core::Realpotential_vect_
 
utility::vector1< core::Real >
::size_type 
potential_vect_size_
 
numeric::interpolation::spline::InterpolatorOP interpolator_
 

Constructor & Destructor Documentation

core::scoring::constraints::SplineFunc::SplineFunc ( )

Referenced by clone().

core::scoring::constraints::SplineFunc::~SplineFunc ( )

Member Function Documentation

virtual FuncOP core::scoring::constraints::SplineFunc::clone ( ) const
inlinevirtual

returns a clone of this SplineFunc

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

References SplineFunc().

core::Real core::scoring::constraints::SplineFunc::dfunc ( core::Real const  x) const
virtual

Returns the value of the first derivative of this SplineFunc at distance x.

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

References exp_val_, interpolator_, KB_description_, lower_bound_x_, upper_bound_x_, and weight_.

core::Real core::scoring::constraints::SplineFunc::func ( core::Real const  x) const
virtual

Returns the value of this SplineFunc evaluated at distance x.

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

References exp_val_, interpolator_, KB_description_, lower_bound_x_, upper_bound_x_, and weight_.

core::Real core::scoring::constraints::SplineFunc::get_bin_size ( )

References bin_size_.

core::Real core::scoring::constraints::SplineFunc::get_exp_val ( )

return SplineFunc member variables

References exp_val_.

std::string core::scoring::constraints::SplineFunc::get_filename ( )

References filename_.

std::string core::scoring::constraints::SplineFunc::get_KB_description ( )

References KB_description_.

core::Real core::scoring::constraints::SplineFunc::get_lower_bound_dy ( )

References lower_bound_dy_.

core::Real core::scoring::constraints::SplineFunc::get_lower_bound_x ( )

References lower_bound_x_.

core::Real core::scoring::constraints::SplineFunc::get_lower_bound_y ( )

References lower_bound_y_.

core::Real core::scoring::constraints::SplineFunc::get_upper_bound_dy ( )

References upper_bound_dy_.

core::Real core::scoring::constraints::SplineFunc::get_upper_bound_x ( )

References upper_bound_x_.

core::Real core::scoring::constraints::SplineFunc::get_upper_bound_y ( )

References upper_bound_y_.

core::Real core::scoring::constraints::SplineFunc::get_weight ( )

References weight_.

void core::scoring::constraints::SplineFunc::read_data ( std::istream &  in)
virtual
void core::scoring::constraints::SplineFunc::show_definition ( std::ostream &  out) const
virtual

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

Reimplemented from core::scoring::constraints::Func.

References bin_size_, exp_val_, filename_, KB_description_, and weight_.

core::Size core::scoring::constraints::SplineFunc::show_violations ( std::ostream &  out,
core::Real  x,
core::Size  verbose_level,
core::Real  threshold = 1 
) const
virtual

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

Reimplemented from core::scoring::constraints::Func.

References exp_val_, interpolator_, KB_description_, lower_bound_x_, core::scoring::constraints::Func::show_violations(), upper_bound_x_, and weight_.

Member Data Documentation

core::Real core::scoring::constraints::SplineFunc::bin_size_
private
utility::vector1<core::Real> core::scoring::constraints::SplineFunc::bins_vect_
private
utility::vector1<core::Real>::size_type core::scoring::constraints::SplineFunc::bins_vect_size_
private

Referenced by read_data().

core::Real core::scoring::constraints::SplineFunc::exp_val_
private
std::string core::scoring::constraints::SplineFunc::filename_
private
numeric::interpolation::spline::InterpolatorOP core::scoring::constraints::SplineFunc::interpolator_
private
std::string core::scoring::constraints::SplineFunc::KB_description_
private
core::Real core::scoring::constraints::SplineFunc::lower_bound_dy_
private

Referenced by get_lower_bound_dy(), and read_data().

core::Real core::scoring::constraints::SplineFunc::lower_bound_x_
private
core::Real core::scoring::constraints::SplineFunc::lower_bound_y_
private

Referenced by get_lower_bound_y(), and read_data().

utility::vector1<core::Real> core::scoring::constraints::SplineFunc::potential_vect_
private
utility::vector1<core::Real>::size_type core::scoring::constraints::SplineFunc::potential_vect_size_
private
core::Real core::scoring::constraints::SplineFunc::upper_bound_dy_
private

Referenced by get_upper_bound_dy(), and read_data().

core::Real core::scoring::constraints::SplineFunc::upper_bound_x_
private
core::Real core::scoring::constraints::SplineFunc::upper_bound_y_
private

Referenced by get_upper_bound_y().

core::Real core::scoring::constraints::SplineFunc::weight_
private

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