core::scoring::rna::TNA_SuitePotential Class Reference

#include <TNA_SuitePotential.hh>

Inheritance diagram for core::scoring::rna::TNA_SuitePotential:

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::TorsionID >	get_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< Real >	weights_
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::TorsionID >	torsion_ids_

Constructor & Destructor Documentation

TNA_SuitePotential()

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.

~TNA_SuitePotential()

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

overridedefault

Member Function Documentation

eval_likelihood_potential()

void core::scoring::rna::TNA_SuitePotential::eval_likelihood_potential ( utility::fixedsizearray1< Real, 4 > const &  torsions ) const

private

References core::conformation::membrane::center, and TR().

eval_score()

bool core::scoring::rna::TNA_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, core::chemical::rna::EPSILON, core::conformation::Residue::has_variant_type(), core::conformation::Residue::is_TNA(), core::pose::rna::is_torsion_valid(), core::chemical::REPLONLY, core::conformation::Residue::seqpos(), core::id::swap(), core::pose::Pose::torsion(), and TR().

figure_out_offset()

void core::scoring::rna::TNA_SuitePotential::figure_out_offset ( )

private

References protocols::mean_field::max().

get_deriv()

utility::fixedsizearray1<Real,4> core::scoring::rna::TNA_SuitePotential::get_deriv ( ) const

inline

References deriv_.

get_score()

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

inline

References score_.

get_torsion_ids()

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

inline

References torsion_ids_.

regularize_torsions()

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

private

Member Data Documentation

centers_

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

private

deriv_

utility::fixedsizearray1<Real,4> core::scoring::rna::TNA_SuitePotential::deriv_ = 0

mutableprivate

Referenced by get_deriv().

inv_cov_

boost::numeric::ublas::matrix<Real> core::scoring::rna::TNA_SuitePotential::inv_cov_ { 4, 4 }

private

n_torsions_

Size const core::scoring::rna::TNA_SuitePotential::n_torsions_ = 0

private

offset_

Real core::scoring::rna::TNA_SuitePotential::offset_ = 0

private

score_

Real core::scoring::rna::TNA_SuitePotential::score_ = 0

mutableprivate

Referenced by get_score().

tags_

utility::vector1<std::string> core::scoring::rna::TNA_SuitePotential::tags_

private

torsion_ids_

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

mutableprivate

Referenced by get_torsion_ids().

weights_

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

private

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

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