core::scoring::rna::RNA_CentroidInfo Class Reference

Keep track of RNA centroid information inside the pose. / Rhiju move this to its own namespace! More...

#include <RNA_CentroidInfo.hh>

Inheritance diagram for core::scoring::rna::RNA_CentroidInfo:

Public Member Functions
	RNA_CentroidInfo ()
basic::datacache::CacheableDataOP	clone () const override
void	update (pose::Pose const &pose)
Size	size () const
bool	calculated () const
bool &	calculated ()
void	set_calculated (bool const &setting)
utility::vector1< Vector > const &	base_centroids () const
utility::vector1 < kinematics::Stub > const &	base_stubs () const
Vector	get_base_centroid (conformation::Residue const &rsd) const
kinematics::Stub	get_base_coordinate_system (conformation::Residue const &rsd, Vector const &centroid) const
kinematics::Stub	get_base_coordinate_system (conformation::Residue const &rsd) const

Private Member Functions
void	initialize_base_centroids_and_stubs (pose::Pose const &pose)

Private Attributes
utility::vector1< Vector >	base_centroids_
utility::vector1 < kinematics::Stub >	base_stubs_
bool	calculated_

Detailed Description

Keep track of RNA centroid information inside the pose. / Rhiju move this to its own namespace!

Constructor & Destructor Documentation

core::scoring::rna::RNA_CentroidInfo::RNA_CentroidInfo ( )

inline

Member Function Documentation

utility::vector1< Vector > const& core::scoring::rna::RNA_CentroidInfo::base_centroids ( ) const

inline

References base_centroids_.

utility::vector1< kinematics::Stub > const& core::scoring::rna::RNA_CentroidInfo::base_stubs ( ) const

inline

References base_stubs_.

bool core::scoring::rna::RNA_CentroidInfo::calculated ( ) const

inline

References calculated_.

Referenced by core::scoring::rna::RNA_ScoringInfo::calculated(), core::energy_methods::RNA_FullAtomStackingEnergy::finalize_total_energy(), and core::energy_methods::StackElecEnergy::finalize_total_energy().

bool& core::scoring::rna::RNA_CentroidInfo::calculated ( )

inline

References calculated_.

basic::datacache::CacheableDataOP core::scoring::rna::RNA_CentroidInfo::clone ( ) const

inlineoverride

Vector core::scoring::rna::RNA_CentroidInfo::get_base_centroid

(

conformation::Residue const &

rsd

)

const

References core::chemical::rna::get_rna_base_centroid().

Referenced by core::energy_methods::RNA_PairwiseLowResolutionEnergy::get_centroid_information().

kinematics::Stub core::scoring::rna::RNA_CentroidInfo::get_base_coordinate_system	(	conformation::Residue const &	rsd,
		Vector const &	centroid
	)		const

References core::chemical::rna::get_rna_base_coordinate_system().

Referenced by protocols::toolbox::rigid_body::initialize_stub().

kinematics::Stub core::scoring::rna::RNA_CentroidInfo::get_base_coordinate_system

(

conformation::Residue const &

rsd

)

const

References core::chemical::rna::get_rna_base_coordinate_system().

void core::scoring::rna::RNA_CentroidInfo::initialize_base_centroids_and_stubs ( pose::Pose const &  pose )

private

References core::pose::Pose::residue(), and core::pose::Pose::size().

void core::scoring::rna::RNA_CentroidInfo::set_calculated ( bool const &  setting )

inline

References calculated_.

Referenced by core::energy_methods::RG_Energy_RNA::finalize_total_energy().

Size core::scoring::rna::RNA_CentroidInfo::size ( ) const

inline

References base_centroids_.

Referenced by core::scoring::rna::RNA_ScoringInfo::size().

void core::scoring::rna::RNA_CentroidInfo::update

(

pose::Pose const &

pose

)

Referenced by core::pose::rna::bases_are_coplanar(), core::scoring::rna::RNA_LowResolutionPotential::check_clear_for_stacking(), core::scoring::rna::RNA_LowResolutionPotential::check_forming_base_pair(), core::pose::rna::classify_base_pairs(), core::pose::rna::figure_out_base_pair_orientation(), core::energy_methods::StackElecEnergy::setup_for_derivatives(), core::energy_methods::RNA_FullAtomStackingEnergy::setup_for_derivatives(), core::energy_methods::StackElecEnergy::setup_for_packing(), core::energy_methods::StackElecEnergy::setup_for_scoring(), core::energy_methods::RNA_FullAtomStackingEnergy::setup_for_scoring(), core::energy_methods::RG_Energy_RNA::setup_for_scoring(), core::scoring::rna::RNA_LowResolutionPotential::update_rna_base_base_interactions(), and core::scoring::rna::RNA_LowResolutionPotential::update_rna_centroid_info().

Member Data Documentation

utility::vector1< Vector > core::scoring::rna::RNA_CentroidInfo::base_centroids_

private

Referenced by base_centroids(), and size().

utility::vector1< kinematics::Stub > core::scoring::rna::RNA_CentroidInfo::base_stubs_

private

Referenced by base_stubs().

bool core::scoring::rna::RNA_CentroidInfo::calculated_

private

Referenced by calculated(), and set_calculated().

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

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