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core::scoring::func::SOGFunc_Impl Class Reference

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:
Inheritance graph
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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::Realmeans_
 
utility::vector1< core::Realsdevs_
 
utility::vector1< core::Realweights_
 
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
void core::scoring::func::SOGFunc_Impl::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
bool core::scoring::func::SOGFunc_Impl::operator== ( SOGFunc_Impl const &  other) const
Real core::scoring::func::SOGFunc_Impl::prob_sum_of_gaussians ( Real const  x) const
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::scoring::methods::CustomAtomPairEnergy::setup_for_scoring().

void core::scoring::func::SOGFunc_Impl::renormalize_weights ( )
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)
bool core::scoring::func::SOGFunc_Impl::smooth_to_zero ( ) const
core::Real core::scoring::func::SOGFunc_Impl::sog_cst_param ( ) const
void core::scoring::func::SOGFunc_Impl::sog_cst_param ( core::Real const  param)
void core::scoring::func::SOGFunc_Impl::upper_bound ( const Real  r)
Real core::scoring::func::SOGFunc_Impl::upper_bound ( ) const

Referenced by SOGFunc_Impl().

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

Member Data Documentation

utility::vector1< core::Real > core::scoring::func::SOGFunc_Impl::means_
private

Referenced by operator==(), and SOGFunc_Impl().

core::Real core::scoring::func::SOGFunc_Impl::score_upper_
private

Referenced by operator==().

utility::vector1< core::Real > core::scoring::func::SOGFunc_Impl::sdevs_
private

Referenced by operator==(), and SOGFunc_Impl().

bool core::scoring::func::SOGFunc_Impl::smooth_
private

Referenced by operator==().

core::Real core::scoring::func::SOGFunc_Impl::sog_cst_param_
private

Referenced by operator==().

core::Real core::scoring::func::SOGFunc_Impl::upper_bound_
private

Referenced by operator==().

utility::vector1< core::Real > core::scoring::func::SOGFunc_Impl::weights_
private

Referenced by operator==(), and SOGFunc_Impl().


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