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

#include <SOGFunc_Impl.hh>

Inheritance diagram for core::scoring::func::SOGFunc_Impl:

Public Member Functions
	SOGFunc_Impl (const utility::vector1< core::Real > &means, const utility::vector1< core::Real > &sdevs, const utility::vector1< core::Real > &weights)

	SOGFunc_Impl ()

	~SOGFunc_Impl () override

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

Real	prob_sum_of_gaussians (Real const x) const

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

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

void	renormalize_weights ()

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

void	read_data (std::istream &in)
	Initializes this SOGFunc_Impl from the given istream. More...

void	clear_ ()

core::Real	get_alt_score_ (Real const x) const

void	upper_bound (const Real r)

Real	upper_bound () const

Real	upper_bound_score () const

void	smooth_to_zero (bool const setting)

bool	smooth_to_zero () const

void	set_defaults ()

core::Real	sog_cst_param () const

void	sog_cst_param (core::Real const param)

bool	operator== (SOGFunc_Impl const &other) const

Private Attributes
utility::vector1< core::Real >	means_

utility::vector1< core::Real >	sdevs_

utility::vector1< core::Real >	weights_

core::Real	upper_bound_

core::Real	score_upper_

core::Real	sog_cst_param_

bool	smooth_

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

inline

Constuctor for SOGFunc_Impl. Arguments to the constructor are:

mean: parameter representing the mean of this function.
sd: parameter representing the standard deviation of this function.

References upper_bound().

core::scoring::func::SOGFunc_Impl::SOGFunc_Impl ( )

inline

References means_, sdevs_, upper_bound(), and weights_.

core::scoring::func::SOGFunc_Impl::~SOGFunc_Impl ( )

overridedefault

Member Function Documentation

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

Referenced by core::scoring::func::SOGFunc::check_bounds().

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

Referenced by core::scoring::func::SOGFunc::clear_().

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

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

Referenced by core::scoring::func::SOGFunc::dfunc().

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

Returns the value of this SOGFunc_Impl evaluated at distance x.

References protocols::hybridization::score.

Referenced by core::scoring::func::SOGFunc::func().

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

References core::scoring::constraints::dgaussian().

Referenced by core::scoring::func::SOGFunc::get_alt_score_().

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

References means_, score_upper_, sdevs_, smooth_, sog_cst_param_, upper_bound_, and weights_.

Real core::scoring::func::SOGFunc_Impl::prob_sum_of_gaussians ( Real const x ) const

References core::scoring::constraints::dgaussian(), and protocols::hybridization::score.

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

Initializes this SOGFunc_Impl from the given istream.

The parameters are:

Initializes this SOGFunc_Impl 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_Impl 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.

References core::simple_metrics::metrics::mean.

Referenced by core::scoring::func::SOGFunc::read_data(), and core::energy_methods::CustomAtomPairEnergy::setup_for_scoring().

void core::scoring::func::SOGFunc_Impl::renormalize_weights ( )

References protocols::analysis::total.

void core::scoring::func::SOGFunc_Impl::set_defaults ( )

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

show the definitio of this SOGFunc_Impl to the specified output stream.

Referenced by core::scoring::func::SOGFunc::show_definition().

void core::scoring::func::SOGFunc_Impl::smooth_to_zero ( bool const setting )