core::scoring::VdWTinkerPoseInfo Class Reference

#include <VdWTinkerPotential.hh>

Inheritance diagram for core::scoring::VdWTinkerPoseInfo:

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

Public Member Functions
	VdWTinkerPoseInfo ()
	VdWTinkerPoseInfo (VdWTinkerPoseInfo const &src)
basic::datacache::CacheableDataOP	clone () const override
Size	size () const
VdWTinkerResidueInfo &	residue_info (Size const i)
VdWTinkerResidueInfo const &	residue_info (Size const i) const
bool	being_packed (Size const seqpos) const
void	set_placeholder (Size const i, ResidueOP rsd, VdWTinkerResidueInfoOP info)
VdWTinkerResidueInfo 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)

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

Member Typedef Documentation

Residue

typedef conformation::Residue core::scoring::VdWTinkerPoseInfo::Residue

ResidueOP

typedef conformation::ResidueOP core::scoring::VdWTinkerPoseInfo::ResidueOP

Constructor & Destructor Documentation

VdWTinkerPoseInfo() [1/2]

core::scoring::VdWTinkerPoseInfo::VdWTinkerPoseInfo ( )

inline

VdWTinkerPoseInfo() [2/2]

core::scoring::VdWTinkerPoseInfo::VdWTinkerPoseInfo

(

VdWTinkerPoseInfo const &

src

)

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

Member Function Documentation

being_packed()

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

inline

References being_packed_.

clone()

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

inlineoverride

initialize()

void core::scoring::VdWTinkerPoseInfo::initialize

(

pose::Pose const &

pose

)

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

placeholder_info()

VdWTinkerResidueInfo const& core::scoring::VdWTinkerPoseInfo::placeholder_info ( Size const  seqpos ) const

inline

References placeholder_info_.

placeholder_residue()

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

inline

References placeholder_residue_.

residue_info() [1/2]

VdWTinkerResidueInfo& core::scoring::VdWTinkerPoseInfo::residue_info ( Size const  i )

inline

References residue_info_.

Referenced by core::energy_methods::retrieve_nonconst_vdw_residue_info(), and core::energy_methods::retrieve_vdw_residue_info().

residue_info() [2/2]

VdWTinkerResidueInfo const& core::scoring::VdWTinkerPoseInfo::residue_info ( Size const  i ) const

inline

References residue_info_.

set_placeholder()

void core::scoring::VdWTinkerPoseInfo::set_placeholder	(	Size const	i,
		ResidueOP	rsd,
		VdWTinkerResidueInfoOP	info
	)

References placeholder_info_, and placeholder_residue_.

set_repack_list()

void core::scoring::VdWTinkerPoseInfo::set_repack_list

(

utility::vector1< bool > const &

repacking_residues

)

References being_packed_, and size().

size()

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

inline

References residue_info_.

Referenced by set_repack_list(), and VdWTinkerPoseInfo().

Member Data Documentation

being_packed_

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

private

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

placeholder_info_

utility::vector1< VdWTinkerResidueInfoOP > core::scoring::VdWTinkerPoseInfo::placeholder_info_

private

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

placeholder_residue_

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

private

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

residue_info_

utility::vector1< VdWTinkerResidueInfoOP > core::scoring::VdWTinkerPoseInfo::residue_info_

private

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

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

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