core::scoring::rna::RNA_SuitePotential Class Reference

#include <RNA_SuitePotential.hh>

Public Member Functions
	RNA_SuitePotential ()
virtual	~RNA_SuitePotential ()
bool	eval_score (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose) const
Real	get_score () const
utility::vector1< Real >	get_deriv () const
utility::vector1< id::TorsionID >	get_torsion_ids () const

Private Member Functions
void	eval_score (boost::numeric::ublas::vector< Real > const &torsions) const
void	regularize_torsions (boost::numeric::ublas::vector< Real > &torsions) const

Private Attributes
Size const	n_torsions_
utility::vector1< Real >	weights_
utility::vector1 < boost::numeric::ublas::vector < Real > >	centers_
boost::numeric::ublas::matrix < Real >	inv_cov_
Real	offset_
Real	score_
utility::vector1< Real >	deriv_
utility::vector1< id::TorsionID >	torsion_ids_

Constructor & Destructor Documentation

core::scoring::rna::RNA_SuitePotential::RNA_SuitePotential

(

)

References angle, core::conformation::membrane::center, centers_, basic::database::full_name(), getline(), inv_cov_, log(), max(), n_torsions_, offset_, option, path, user, weight, and weights_.

core::scoring::rna::RNA_SuitePotential::~RNA_SuitePotential ( )

virtual

Member Function Documentation

bool core::scoring::rna::RNA_SuitePotential::eval_score	(	conformation::Residue const &	rsd1,
		conformation::Residue const &	rsd2,
		pose::Pose const &	pose
	)		const

References core::chemical::rna::ALPHA, core::id::BB, core::chemical::rna::BETA, core::chemical::rna::DELTA, deriv_, core::chemical::rna::EPSILON, core::chemical::rna::GAMMA, core::conformation::Residue::is_RNA(), core::pose::rna::is_torsion_valid(), n_torsions_, score_, core::conformation::Residue::seqpos(), core::id::swap(), core::pose::Pose::torsion(), torsion_ids_, and core::chemical::rna::ZETA.

Referenced by core::scoring::rna::RNA_SuiteEnergy::eval_residue_pair_derivatives(), and core::scoring::rna::RNA_SuiteEnergy::residue_pair_energy().

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

private

utility::vector1<Real> core::scoring::rna::RNA_SuitePotential::get_deriv ( ) const

inline

References deriv_.

Referenced by core::scoring::rna::RNA_SuiteEnergy::eval_residue_pair_derivatives().

Real core::scoring::rna::RNA_SuitePotential::get_score ( ) const

inline

References score_.

Referenced by core::scoring::rna::RNA_SuiteEnergy::residue_pair_energy().

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

inline

References torsion_ids_.

Referenced by core::scoring::rna::RNA_SuiteEnergy::eval_residue_pair_derivatives().

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

private

References numeric::principal_angle_degrees().

Member Data Documentation

utility::vector1< boost::numeric::ublas::vector<Real> > core::scoring::rna::RNA_SuitePotential::centers_

private

Referenced by RNA_SuitePotential().

utility::vector1<Real> core::scoring::rna::RNA_SuitePotential::deriv_

mutableprivate

Referenced by eval_score(), and get_deriv().

boost::numeric::ublas::matrix<Real> core::scoring::rna::RNA_SuitePotential::inv_cov_

private

Referenced by RNA_SuitePotential().

Size const core::scoring::rna::RNA_SuitePotential::n_torsions_

private

Referenced by eval_score(), and RNA_SuitePotential().

Real core::scoring::rna::RNA_SuitePotential::offset_

private

Referenced by RNA_SuitePotential().

Real core::scoring::rna::RNA_SuitePotential::score_

mutableprivate

Referenced by eval_score(), and get_score().

utility::vector1<id::TorsionID> core::scoring::rna::RNA_SuitePotential::torsion_ids_

mutableprivate

Referenced by eval_score(), and get_torsion_ids().

utility::vector1<Real> core::scoring::rna::RNA_SuitePotential::weights_

private

Referenced by RNA_SuitePotential().

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

• src/core/scoring/rna/RNA_SuitePotential.hh
• src/core/scoring/rna/RNA_SuitePotential.cc