Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation. More...

#include <SOGFunc.hh>

Inheritance diagram for core::scoring::func::SOGFunc:

Public Member Functions
	SOGFunc ()

	SOGFunc (const utility::vector1< core::Real > &means, const utility::vector1< core::Real > &sdevs, const utility::vector1< core::Real > &weights)

	SOGFunc (core::Real mean, core::Real sdev)

FuncOP	clone () const override
	returns a clone of this SOGFunc 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...

Real	func (Real const x) const override
	Returns the value of this SOGFunc evaluated at distance x. More...

Real	dfunc (Real const x) const override
	Returns the value of the first derivative of this SOGFunc at distance x. More...

void	check_bounds (Real const x, Real const val) const

void	show_definition (std::ostream &out) const override
	show the definition of this SOGFunc to the specified output stream. More...

void	read_data (std::istream &in) override
	Initializes this SOGFunc from the given istream. 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...

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 Member Functions
void	clear_ ()

core::Real	get_alt_score_ (core::Real const x) const

Private Attributes
SOGFunc_Impl	member_

Friends
std::ostream &	operator<< (std::ostream &out, const SOGFunc &f)
	Calls show( out ) on this SOGFunc. More...

Detailed Description

Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation.

Constructor & Destructor Documentation

core::scoring::func::SOGFunc::SOGFunc ( )

inline

core::scoring::func::SOGFunc::SOGFunc	(	const utility::vector1< core::Real > &	means,
		const utility::vector1< core::Real > &	sdevs,
		const utility::vector1< core::Real > &	weights
	)

core::scoring::func::SOGFunc::SOGFunc	(	core::Real	mean,
		core::Real	sdev
	)

Member Function Documentation

void core::scoring::func::SOGFunc::check_bounds	(	Real const	x,
		Real const	val
	)		const

References core::scoring::func::SOGFunc_Impl::check_bounds(), and member_.

void core::scoring::func::SOGFunc::clear_ ( )

private

References core::scoring::func::SOGFunc_Impl::clear_(), and member_.

FuncOP core::scoring::func::SOGFunc::clone ( ) const

inlineoverridevirtual

returns a clone of this SOGFunc

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

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

overridevirtual

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

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

References core::scoring::func::SOGFunc_Impl::dfunc(), and member_.

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

overridevirtual

Returns the value of this SOGFunc evaluated at distance x.

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

References core::scoring::func::SOGFunc_Impl::func(), and member_.

core::Real core::scoring::func::SOGFunc::get_alt_score_ ( core::Real const x ) const

private

References core::scoring::func::SOGFunc_Impl::get_alt_score_(), and member_.

bool core::scoring::func::SOGFunc::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 member_, same_type_as_me(), and core::scoring::func::Func::same_type_as_me().

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

overridevirtual

Initializes this SOGFunc from the given istream.

The parameters are:

Initializes this SOGFunc from the given istream. An example of the type of string from which the istream should be constructed is: "SOGFUNC 2 19.396 7.643 0.4 17.312 2.4 0.6". The interpretation is to create initialize this SOGFunc object with the following parameters:

one Gaussian function with mean 19.396 and sd 7.643, weighted with a weight of 0.4
another Gaussian function with mean of 17.312 and sd 2.4, with a weight of 0.6. Weights need not add up to 1, but many times they will.

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

References member_, and core::scoring::func::SOGFunc_Impl::read_data().

bool core::scoring::func::SOGFunc::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::SOGFunc::show_definition ( std::ostream & out ) const

overridevirtual

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

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

References member_, and core::scoring::func::SOGFunc_Impl::show_definition().