core::scoring::facts::FACTSPoseInfo Class Reference

#include <FACTSPose.hh>

Inheritance diagram for core::scoring::facts::FACTSPoseInfo:

Public Types
typedef conformation::Residue	Residue
typedef conformation::ResidueOP	ResidueOP

Public Member Functions
	FACTSPoseInfo ()
	FACTSPoseInfo (FACTSPoseInfo const &src)
basic::datacache::CacheableDataOP	clone () const override
Size	size () const
FACTSResidueInfo &	residue_info (Size const i)
FACTSResidueInfo const &	residue_info (Size const i) const
bool	being_packed (Size const seqpos) const
void	set_placeholder (Size const i, ResidueOP rsd, FACTSResidueInfoOP info)
FACTSResidueInfo const &	placeholder_info (Size const seqpos) const
Residue const &	placeholder_residue (Size const seqpos) const
void	initialize (pose::Pose const &pose, FACTSRsdTypeMap &rsdtypemap)
void	set_repack_list (utility::vector1< bool > const &repacking_residues)
bool	is_changed (pose::Pose const &pose)
void	update_enumeration_shell (pose::Pose const &pose, bool const enumerate_second_shell=false)
bool	context_derivative_empty ()

Public Attributes
utility::vector1< FACTSResidueInfoOP >	residue_info_
utility::vector1< ResidueOP >	placeholder_residue_
utility::vector1< FACTSResidueInfoOP >	placeholder_info_
utility::vector1< bool >	being_packed_
bool	context_derivative_empty_

Member Typedef Documentation

Residue

typedef conformation::Residue core::scoring::facts::FACTSPoseInfo::Residue

ResidueOP

typedef conformation::ResidueOP core::scoring::facts::FACTSPoseInfo::ResidueOP

Constructor & Destructor Documentation

FACTSPoseInfo() [1/2]

core::scoring::facts::FACTSPoseInfo::FACTSPoseInfo

(

)

FACTSPoseInfo() [2/2]

core::scoring::facts::FACTSPoseInfo::FACTSPoseInfo

(

FACTSPoseInfo const &

src

)

References being_packed_, context_derivative_empty_, placeholder_info_, placeholder_residue_, residue_info_, and size().

Member Function Documentation

being_packed()

bool core::scoring::facts::FACTSPoseInfo::being_packed ( Size const  seqpos ) const

inline

References being_packed_.

Referenced by core::scoring::facts::FACTSPotential::get_template_born_radii().

clone()

basic::datacache::CacheableDataOP core::scoring::facts::FACTSPoseInfo::clone ( ) const

inlineoverride

context_derivative_empty()

bool core::scoring::facts::FACTSPoseInfo::context_derivative_empty ( )

inline

References context_derivative_empty_.

initialize()

void core::scoring::facts::FACTSPoseInfo::initialize	(	pose::Pose const &	pose,
		FACTSRsdTypeMap &	rsdtypemap
	)

References core::scoring::facts::FACTSRsdTypeMap::get_type_info(), placeholder_info_, placeholder_residue_, core::pose::Pose::residue(), residue_info_, core::pose::Pose::size(), and core::conformation::Residue::type().

is_changed()

bool core::scoring::facts::FACTSPoseInfo::is_changed

(

pose::Pose const &

pose

)

References core::conformation::Residue::natoms(), core::pose::Pose::residue(), residue_info(), core::pose::Pose::size(), core::scoring::facts::FACTSResidueInfo::xyz(), and core::conformation::Residue::xyz().

placeholder_info()

FACTSResidueInfo const& core::scoring::facts::FACTSPoseInfo::placeholder_info ( Size const  seqpos ) const

inline

References placeholder_info_.

placeholder_residue()

Residue const& core::scoring::facts::FACTSPoseInfo::placeholder_residue ( Size const  seqpos ) const

inline

References placeholder_residue_.

residue_info() [1/2]

FACTSResidueInfo& core::scoring::facts::FACTSPoseInfo::residue_info ( Size const  i )

inline

References residue_info_.

Referenced by core::energy_methods::FACTSEnergy::eval_intrares_energy(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energy_maps(), core::scoring::facts::FACTSPotential::get_single_rotamer_born_radii(), core::scoring::facts::FACTSPotential::get_template_born_radii(), is_changed(), and update_enumeration_shell().

residue_info() [2/2]

FACTSResidueInfo const& core::scoring::facts::FACTSPoseInfo::residue_info ( Size const  i ) const

inline

References residue_info_.

set_placeholder()

void core::scoring::facts::FACTSPoseInfo::set_placeholder	(	Size const	i,
		ResidueOP	rsd,
		FACTSResidueInfoOP	info
	)

References placeholder_info_, and placeholder_residue_.

set_repack_list()

void core::scoring::facts::FACTSPoseInfo::set_repack_list

(

utility::vector1< bool > const &

repacking_residues

)

References being_packed_, and size().

size()

Size core::scoring::facts::FACTSPoseInfo::size ( ) const

inline

References residue_info_.

Referenced by FACTSPoseInfo(), core::scoring::facts::FACTSPotential::get_template_born_radii(), and set_repack_list().

update_enumeration_shell()

void core::scoring::facts::FACTSPoseInfo::update_enumeration_shell	(	pose::Pose const &	pose,
		bool const	enumerate_second_shell = false
	)

References core::scoring::facts::FACTSResidueInfo::changed(), core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), residue_info(), core::scoring::facts::FACTSResidueInfo::set_enumeration_shell(), and core::pose::Pose::size().

Member Data Documentation

being_packed_

utility::vector1< bool > core::scoring::facts::FACTSPoseInfo::being_packed_

Referenced by being_packed(), FACTSPoseInfo(), and set_repack_list().

context_derivative_empty_

bool core::scoring::facts::FACTSPoseInfo::context_derivative_empty_

Referenced by context_derivative_empty(), and FACTSPoseInfo().

placeholder_info_

utility::vector1< FACTSResidueInfoOP > core::scoring::facts::FACTSPoseInfo::placeholder_info_

Referenced by FACTSPoseInfo(), initialize(), placeholder_info(), and set_placeholder().

placeholder_residue_

utility::vector1< ResidueOP > core::scoring::facts::FACTSPoseInfo::placeholder_residue_

Referenced by FACTSPoseInfo(), initialize(), placeholder_residue(), and set_placeholder().

residue_info_

utility::vector1< FACTSResidueInfoOP > core::scoring::facts::FACTSPoseInfo::residue_info_

Referenced by FACTSPoseInfo(), initialize(), residue_info(), and size().

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

• src/core/scoring/facts/FACTSPose.hh
• src/core/scoring/facts/FACTSPose.cc