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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::rna::TNA_SuitePotential Class Reference

#include <TNA_SuitePotential.hh>

Inheritance diagram for core::scoring::rna::TNA_SuitePotential:
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Public Member Functions

 TNA_SuitePotential ()
 
 ~TNA_SuitePotential () override
 
bool eval_score (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose) const
 
Real get_score () const
 
utility::fixedsizearray1< Real, 4 > get_deriv () const
 
utility::vector1< id::TorsionIDget_torsion_ids () const
 

Private Member Functions

void eval_likelihood_potential (utility::fixedsizearray1< Real, 4 > const &torsions) const
 
void regularize_torsions (boost::numeric::ublas::vector< Real > &torsions) const
 
void figure_out_offset ()
 

Private Attributes

Size const n_torsions_ = 0
 
utility::vector1< Realweights_
 
utility::vector1
< boost::numeric::ublas::vector
< Real > > 
centers_
 
utility::vector1< std::string > tags_
 
boost::numeric::ublas::matrix
< Real
inv_cov_ { 4, 4 }
 
Real offset_ = 0
 
Real score_ = 0
 
utility::fixedsizearray1< Real, 4 > deriv_ = 0
 
utility::vector1< id::TorsionIDtorsion_ids_
 

Constructor & Destructor Documentation

core::scoring::rna::TNA_SuitePotential::TNA_SuitePotential ( )

This constructor reads in data from disk and should only be called from the ScoringManager

References core::conformation::membrane::center, and protocols::hybridization::path.

core::scoring::rna::TNA_SuitePotential::~TNA_SuitePotential ( )
overridedefault

Member Function Documentation

void core::scoring::rna::TNA_SuitePotential::eval_likelihood_potential ( utility::fixedsizearray1< Real, 4 > const &  torsions) const
private
bool core::scoring::rna::TNA_SuitePotential::eval_score ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose 
) const
void core::scoring::rna::TNA_SuitePotential::figure_out_offset ( )
private
utility::fixedsizearray1<Real,4> core::scoring::rna::TNA_SuitePotential::get_deriv ( ) const
inline

References deriv_.

Real core::scoring::rna::TNA_SuitePotential::get_score ( ) const
inline

References score_.

utility::vector1<id::TorsionID> core::scoring::rna::TNA_SuitePotential::get_torsion_ids ( ) const
inline

References torsion_ids_.

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

Member Data Documentation

utility::vector1< boost::numeric::ublas::vector<Real> > core::scoring::rna::TNA_SuitePotential::centers_
private
utility::fixedsizearray1<Real,4> core::scoring::rna::TNA_SuitePotential::deriv_ = 0
mutableprivate

Referenced by get_deriv().

boost::numeric::ublas::matrix<Real> core::scoring::rna::TNA_SuitePotential::inv_cov_ { 4, 4 }
private
Size const core::scoring::rna::TNA_SuitePotential::n_torsions_ = 0
private
Real core::scoring::rna::TNA_SuitePotential::offset_ = 0
private
Real core::scoring::rna::TNA_SuitePotential::score_ = 0
mutableprivate

Referenced by get_score().

utility::vector1<std::string> core::scoring::rna::TNA_SuitePotential::tags_
private
utility::vector1<id::TorsionID> core::scoring::rna::TNA_SuitePotential::torsion_ids_
mutableprivate

Referenced by get_torsion_ids().

utility::vector1<Real> core::scoring::rna::TNA_SuitePotential::weights_
private

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