#include <SplineFunc.hh>

Inheritance diagram for core::scoring::constraints::SplineFunc:

Collaboration diagram for core::scoring::constraints::SplineFunc:

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::Real >	bins_vect_

utility::vector1< core::Real > ::size_type	bins_vect_size_

utility::vector1< core::Real >	potential_vect_

utility::vector1< core::Real > ::size_type	potential_vect_size_

numeric::interpolation::spline::InterpolatorOP	interpolator_

Detailed Description

Definition at line 44 of file SplineFunc.hh.

Constructor & Destructor Documentation

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

Definition at line 47 of file SplineFunc.cc.

Referenced by clone().

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

Definition at line 66 of file SplineFunc.cc.

Member Function Documentation

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

inlinevirtual

returns a clone of this SplineFunc

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

Definition at line 54 of file SplineFunc.hh.

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.

Definition at line 233 of file SplineFunc.cc.

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.

Definition at line 164 of file SplineFunc.cc.

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

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

Definition at line 90 of file SplineFunc.cc.

References bin_size_.

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

return SplineFunc member variables

Definition at line 70 of file SplineFunc.cc.

References exp_val_.

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

Definition at line 75 of file SplineFunc.cc.

References filename_.

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

Definition at line 80 of file SplineFunc.cc.

References KB_description_.

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

Definition at line 115 of file SplineFunc.cc.

References lower_bound_dy_.

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

Definition at line 95 of file SplineFunc.cc.

References lower_bound_x_.

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

Definition at line 105 of file SplineFunc.cc.

References lower_bound_y_.

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

Definition at line 120 of file SplineFunc.cc.

References upper_bound_dy_.

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

Definition at line 100 of file SplineFunc.cc.

References upper_bound_x_.

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

Definition at line 110 of file SplineFunc.cc.

References upper_bound_y_.

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

Definition at line 85 of file SplineFunc.cc.

References weight_.

void core::scoring::constraints::SplineFunc::read_data ( std::istream & in)

virtual

initialize this SplineFunc from the given izstream.

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

Definition at line 126 of file SplineFunc.cc.

References bin_size_, bins_vect_size_, exp_val_, filename_, interpolator_, KB_description_, lower_bound_dy_, lower_bound_x_, lower_bound_y_, upper_bound_dy_, upper_bound_x_, and weight_.

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.

Definition at line 267 of file SplineFunc.cc.

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