#include <SplineFunc.hh>

Inheritance diagram for core::scoring::func::SplineFunc:

Public Member Functions
	SplineFunc ()

	~SplineFunc ()

virtual FuncOP	clone () const
	returns a clone of this SplineFunc More...

virtual bool	operator== (Func const &other) const
	Equality operator. Looks for strict equality. Floating-point comparison is the rule rather than the exception. More...

virtual bool	same_type_as_me (Func const &other) const
	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_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::func::Func
virtual	~Func ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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	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_

Constructor & Destructor Documentation

core::scoring::func::SplineFunc::SplineFunc ( )

Referenced by clone().

core::scoring::func::SplineFunc::~SplineFunc ( )

Member Function Documentation

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

inlinevirtual

returns a clone of this SplineFunc

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

References SplineFunc().

core::Real core::scoring::func::SplineFunc::dfunc ( core::Real const x ) const

virtual

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

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

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

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

virtual

Returns the value of this SplineFunc evaluated at distance x.

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

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

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

References bin_size_.

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

return SplineFunc member variables

References exp_val_.

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

References filename_.

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

References KB_description_.

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

References lower_bound_dy_.

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

References lower_bound_x_.

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

References lower_bound_y_.

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

References upper_bound_dy_.

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

References upper_bound_x_.

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

References upper_bound_y_.

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

References weight_.

bool core::scoring::func::SplineFunc::operator== ( Func const & other ) const

virtual

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

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

References bin_size_, bins_vect_, bins_vect_size_, exp_val_, filename_, interpolator_, KB_description_, lower_bound_dy_, lower_bound_x_, lower_bound_y_, potential_vect_, potential_vect_size_, same_type_as_me(), core::scoring::func::Func::same_type_as_me(), upper_bound_dy_, upper_bound_x_, upper_bound_y_, and weight_.

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

virtual

initialize this SplineFunc from the given izstream.

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

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_.

bool core::scoring::func::SplineFunc::same_type_as_me ( Func const & other ) const

virtual

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::SplineFunc::show_definition ( std::ostream & out ) const

virtual

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

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

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

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