Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::rna::RNA_SuitePotential Class Reference

#include <RNA_SuitePotential.hh>

Inheritance diagram for core::scoring::rna::RNA_SuitePotential:
Inheritance graph
[legend]

Public Member Functions

 RNA_SuitePotential (bool const calculate_suiteness_bonus=false, std::string const &suiteness_bonus="")
 
 ~RNA_SuitePotential () override
 
bool eval_score (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, utility::fixedsizearray1< core::id::TorsionID, 7 > &torsion_ids, Real &score, utility::fixedsizearray1< Real, 7 > &deriv) const
 

Private Member Functions

void eval_score (utility::fixedsizearray1< Real, 7 > const &torsions, Real &score, utility::fixedsizearray1< Real, 7 > &deriv) const
 
void eval_suiteness_bonus (utility::fixedsizearray1< Real, 7 > const &torsions, Real &score, utility::fixedsizearray1< Real, 7 > &deriv) const
 
void eval_likelihood_potential (utility::fixedsizearray1< Real, 7 > const &torsions, Real &score, utility::fixedsizearray1< Real, 7 > &deriv) const
 
void regularize_torsions (boost::numeric::ublas::vector< Real > &torsions) const
 
void figure_out_offset ()
 

Private Attributes

Size const n_torsions_
 
utility::vector1< Realweights_
 
utility::vector1
< boost::numeric::ublas::vector
< Real > > 
centers_
 
utility::vector1< std::string > tags_
 
boost::numeric::ublas::matrix
< Real
inv_cov_
 
Real offset_
 
bool const calculate_suiteness_bonus_
 
pose::rna::RNA_SuiteNameOP rna_suite_name_
 

Constructor & Destructor Documentation

core::scoring::rna::RNA_SuitePotential::RNA_SuitePotential ( bool const  calculate_suiteness_bonus = false,
std::string const &  suiteness_bonus = "" 
)
core::scoring::rna::RNA_SuitePotential::~RNA_SuitePotential ( )
overridedefault

Member Function Documentation

void core::scoring::rna::RNA_SuitePotential::eval_likelihood_potential ( utility::fixedsizearray1< Real, 7 > const &  torsions,
Real score,
utility::fixedsizearray1< Real, 7 > &  deriv 
) const
private
bool core::scoring::rna::RNA_SuitePotential::eval_score ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
utility::fixedsizearray1< core::id::TorsionID, 7 > &  torsion_ids,
Real score,
utility::fixedsizearray1< Real, 7 > &  deriv 
) const
void core::scoring::rna::RNA_SuitePotential::eval_score ( utility::fixedsizearray1< Real, 7 > const &  torsions,
Real score,
utility::fixedsizearray1< Real, 7 > &  deriv 
) const
private
void core::scoring::rna::RNA_SuitePotential::eval_suiteness_bonus ( utility::fixedsizearray1< Real, 7 > const &  torsions,
Real score,
utility::fixedsizearray1< Real, 7 > &  deriv 
) const
private

References rna_suite_name_, tags_, and weights_.

Referenced by eval_score().

void core::scoring::rna::RNA_SuitePotential::figure_out_offset ( )
private
void core::scoring::rna::RNA_SuitePotential::regularize_torsions ( boost::numeric::ublas::vector< Real > &  torsions) const
private

Member Data Documentation

bool const core::scoring::rna::RNA_SuitePotential::calculate_suiteness_bonus_
private

Referenced by eval_score(), and RNA_SuitePotential().

utility::vector1< boost::numeric::ublas::vector<Real> > core::scoring::rna::RNA_SuitePotential::centers_
private
boost::numeric::ublas::matrix<Real> core::scoring::rna::RNA_SuitePotential::inv_cov_
private
Size const core::scoring::rna::RNA_SuitePotential::n_torsions_
private
Real core::scoring::rna::RNA_SuitePotential::offset_
private
pose::rna::RNA_SuiteNameOP core::scoring::rna::RNA_SuitePotential::rna_suite_name_
private
utility::vector1<std::string> core::scoring::rna::RNA_SuitePotential::tags_
private
utility::vector1<Real> core::scoring::rna::RNA_SuitePotential::weights_
private

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