Rosetta 3.4
Public Member Functions
core::scoring::constraints::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>

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List of all members.

Public Member Functions

 SOGFunc_Impl (utility::vector1< core::Real > const means, utility::vector1< core::Real > const sdevs, utility::vector1< core::Real > const weights)
 SOGFunc_Impl ()
Real func (Real const x) const
 Returns the value of this SOGFunc_Impl evaluated at distance x.
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.
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.
void read_data (std::istream &in)
 Initializes this SOGFunc_Impl from the given istream.
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)

Detailed Description

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


Constructor & Destructor Documentation

core::scoring::constraints::SOGFunc_Impl::SOGFunc_Impl ( utility::vector1< core::Real > const  means,
utility::vector1< core::Real > const  sdevs,
utility::vector1< core::Real > const  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::constraints::SOGFunc_Impl::SOGFunc_Impl ( ) [inline]

References upper_bound().


Member Function Documentation

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

Referenced by read_data().

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

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

References check_bounds(), and func().

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

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

Returns the value of this SOGFunc_Impl evaluated at distance x.

References check_bounds(), prob_sum_of_gaussians(), upper_bound(), and upper_bound_score().

Referenced by dfunc(), and core::scoring::constraints::SOGFunc::func().

core::Real core::scoring::constraints::SOGFunc_Impl::get_alt_score_ ( Real const  x) const
Real core::scoring::constraints::SOGFunc_Impl::prob_sum_of_gaussians ( Real const  x) const
void core::scoring::constraints::SOGFunc_Impl::read_data ( std::istream &  in)

Initializes this SOGFunc_Impl from the given istream.

Detailed: 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 clear_(), renormalize_weights(), and upper_bound().

Referenced by core::scoring::constraints::SOGFunc::read_data(), and core::scoring::methods::CustomAtomPairEnergy::setup_for_scoring().

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

Referenced by read_data().

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

References sog_cst_param().

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

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

Referenced by check_bounds(), and core::scoring::constraints::SOGFunc::show_definition().

bool core::scoring::constraints::SOGFunc_Impl::smooth_to_zero ( ) const
void core::scoring::constraints::SOGFunc_Impl::smooth_to_zero ( bool const  setting)
core::Real core::scoring::constraints::SOGFunc_Impl::sog_cst_param ( ) const

Referenced by set_defaults().

void core::scoring::constraints::SOGFunc_Impl::sog_cst_param ( core::Real const  param)
void core::scoring::constraints::SOGFunc_Impl::upper_bound ( const Real  r)
Real core::scoring::constraints::SOGFunc_Impl::upper_bound ( ) const

Referenced by func(), read_data(), and SOGFunc_Impl().

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

Referenced by func().


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