core::scoring::GenBornPoseInfo Class Reference

#include <GenBornPotential.hh>

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

Public Member Functions
	GenBornPoseInfo ()
	GenBornPoseInfo (GenBornPoseInfo const &src)
basic::datacache::CacheableDataOP	clone () const
Size	size () const
GenBornResidueInfo &	residue_info (Size const i)
GenBornResidueInfo const &	residue_info (Size const i) const
bool	being_packed (Size const seqpos) const
void	set_placeholder (Size const i, ResidueOP rsd, GenBornResidueInfoOP info)
GenBornResidueInfo const &	placeholder_info (Size const seqpos) const
Residue const &	placeholder_residue (Size const seqpos) const
void	initialize (pose::Pose const &pose)
void	set_repack_list (utility::vector1< bool > const &repacking_residues)
Public Member Functions inherited from basic::datacache::CacheableData
virtual	~CacheableData ()

Private Attributes
utility::vector1 < GenBornResidueInfoOP >	residue_info_
utility::vector1< ResidueOP >	placeholder_residue_
utility::vector1 < GenBornResidueInfoOP >	placeholder_info_
utility::vector1< bool >	being_packed_

Member Typedef Documentation

typedef conformation::Residue core::scoring::GenBornPoseInfo::Residue

typedef conformation::ResidueOP core::scoring::GenBornPoseInfo::ResidueOP

Constructor & Destructor Documentation

core::scoring::GenBornPoseInfo::GenBornPoseInfo ( )

inline

Referenced by clone().

core::scoring::GenBornPoseInfo::GenBornPoseInfo

(

GenBornPoseInfo const &

src

)

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

Member Function Documentation

bool core::scoring::GenBornPoseInfo::being_packed ( Size const  seqpos ) const

inline

References being_packed_.

Referenced by core::scoring::GenBornPotential::build_placeholders(), core::scoring::GenBornPotential::get_single_rotamer_born_radii(), and core::scoring::GenBornPotential::get_template_born_radii().

basic::datacache::CacheableDataOP core::scoring::GenBornPoseInfo::clone ( ) const

inlinevirtual

Implements basic::datacache::CacheableData.

References GenBornPoseInfo().

void core::scoring::GenBornPoseInfo::initialize

(

pose::Pose const &

pose

)

References being_packed_, nres, placeholder_info_, placeholder_residue_, core::pose::Pose::residue(), residue_info_, and core::pose::Pose::total_residue().

GenBornResidueInfo const& core::scoring::GenBornPoseInfo::placeholder_info ( Size const  seqpos ) const

inline

References placeholder_info_.

Referenced by core::scoring::GenBornPotential::get_single_rotamer_born_radii(), and core::scoring::GenBornPotential::get_template_born_radii().

Residue const& core::scoring::GenBornPoseInfo::placeholder_residue ( Size const  seqpos ) const

inline

References placeholder_residue_.

Referenced by core::scoring::GenBornPotential::get_single_rotamer_born_radii(), and core::scoring::GenBornPotential::get_template_born_radii().

GenBornResidueInfo& core::scoring::GenBornPoseInfo::residue_info ( Size const  i )

inline

References residue_info_.

Referenced by core::scoring::GenBornPotential::eval_atom_derivative(), core::scoring::GenBornPotential::get_single_rotamer_born_radii(), core::scoring::GenBornPotential::get_template_born_radii(), core::scoring::methods::GenBornEnergy::residue_pair_energy(), and core::scoring::GenBornPotential::update_residue_for_packing().

GenBornResidueInfo const& core::scoring::GenBornPoseInfo::residue_info ( Size const  i ) const

inline

References residue_info_.

void core::scoring::GenBornPoseInfo::set_placeholder	(	Size const	i,
		ResidueOP	rsd,
		GenBornResidueInfoOP	info
	)

References placeholder_info_, and placeholder_residue_.

Referenced by core::scoring::GenBornPotential::build_placeholders().

void core::scoring::GenBornPoseInfo::set_repack_list

(

utility::vector1< bool > const &

repacking_residues

)

References being_packed_, and size().

Size core::scoring::GenBornPoseInfo::size ( ) const

inline

References residue_info_.

Referenced by GenBornPoseInfo(), core::scoring::GenBornPotential::get_template_born_radii(), and set_repack_list().

Member Data Documentation

utility::vector1< bool > core::scoring::GenBornPoseInfo::being_packed_

private

Referenced by being_packed(), GenBornPoseInfo(), initialize(), and set_repack_list().

utility::vector1< GenBornResidueInfoOP > core::scoring::GenBornPoseInfo::placeholder_info_

private

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

utility::vector1< ResidueOP > core::scoring::GenBornPoseInfo::placeholder_residue_

private

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

utility::vector1< GenBornResidueInfoOP > core::scoring::GenBornPoseInfo::residue_info_

private

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

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

• src/core/scoring/GenBornPotential.hh
• src/core/scoring/GenBornPotential.cc