core::scoring::methods::LKB_ResidueInfo Class Reference

#include <LK_BallInfo.hh>

Inheritance diagram for core::scoring::methods::LKB_ResidueInfo:

Collaboration diagram for core::scoring::methods::LKB_ResidueInfo:

Public Types
typedef utility::vector1< Vector >	Vectors

Public Member Functions
virtual	~LKB_ResidueInfo ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	LKB_ResidueInfo (pose::Pose const &pose, conformation::Residue const &rsd)
	LKB_ResidueInfo (LKB_ResidueInfo const &src)
LKB_ResidueInfoOP	clone () const
void	build_waters (conformation::Residue const &rsd)
utility::vector1< Vectors > const &	waters () const
bool	has_waters () const

Private Types
typedef std::map < chemical::ResidueTypeCOP, utility::vector1 < WaterBuilders > >	WaterBuilderMap

Private Member Functions
void	initialize_residue_type (chemical::ResidueType const &rsd_type) const
	called the first time we encounter a given ResidueType More...

Private Attributes
utility::vector1< Vectors >	waters_
bool	has_waters_

Static Private Attributes
static WaterBuilderMap	water_builder_map_

Detailed Description

Definition at line 88 of file LK_BallInfo.hh.

Member Typedef Documentation

typedef utility::vector1< Vector > core::scoring::methods::LKB_ResidueInfo::Vectors

Definition at line 92 of file LK_BallInfo.hh.

typedef std::map< chemical::ResidueTypeCOP, utility::vector1< WaterBuilders > > core::scoring::methods::LKB_ResidueInfo::WaterBuilderMap

private

Definition at line 118 of file LK_BallInfo.hh.

Constructor & Destructor Documentation

core::scoring::methods::LKB_ResidueInfo::~LKB_ResidueInfo ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Definition at line 67 of file LK_BallInfo.cc.

core::scoring::methods::LKB_ResidueInfo::LKB_ResidueInfo	(	pose::Pose const &	pose,
		conformation::Residue const &	rsd
	)

Definition at line 275 of file LK_BallInfo.cc.

Referenced by clone().

core::scoring::methods::LKB_ResidueInfo::LKB_ResidueInfo

(

LKB_ResidueInfo const &

src)

Definition at line 334 of file LK_BallInfo.cc.

Member Function Documentation

void core::scoring::methods::LKB_ResidueInfo::build_waters

(

conformation::Residue const &

rsd)

Definition at line 309 of file LK_BallInfo.cc.

References core::conformation::Residue::nheavyatoms(), core::scoring::methods::residue_type_has_waters(), and core::conformation::Residue::type().

Referenced by core::scoring::methods::LK_BallEnergy::update_residue_for_packing().

LKB_ResidueInfoOP core::scoring::methods::LKB_ResidueInfo::clone

(

)

const

Definition at line 341 of file LK_BallInfo.cc.

References LKB_ResidueInfo().

bool core::scoring::methods::LKB_ResidueInfo::has_waters ( ) const

inline

Definition at line 110 of file LK_BallInfo.hh.

References has_waters_.

Referenced by core::scoring::methods::LK_BallEnergy::evaluate_rotamer_background_energies().

void core::scoring::methods::LKB_ResidueInfo::initialize_residue_type ( chemical::ResidueType const &  rsd_type) const

private

called the first time we encounter a given ResidueType

Definition at line 287 of file LK_BallInfo.cc.

References core::chemical::ResidueType::name(), core::scoring::methods::residue_type_has_waters(), core::scoring::methods::setup_water_builders_for_residue_type(), and core::scoring::methods::TR().

utility::vector1< Vectors > const& core::scoring::methods::LKB_ResidueInfo::waters ( ) const

inline

Definition at line 107 of file LK_BallInfo.hh.

References waters_.

Referenced by core::scoring::methods::LK_BallEnergy::residue_pair_energy(), and core::scoring::methods::LK_BallEnergy::sum_contributions_for_atom_pair().

Member Data Documentation

bool core::scoring::methods::LKB_ResidueInfo::has_waters_

private

Definition at line 126 of file LK_BallInfo.hh.

Referenced by has_waters().

LKB_ResidueInfo::WaterBuilderMap core::scoring::methods::LKB_ResidueInfo::water_builder_map_

staticprivate

Definition at line 119 of file LK_BallInfo.hh.

utility::vector1< Vectors > core::scoring::methods::LKB_ResidueInfo::waters_

private

Definition at line 125 of file LK_BallInfo.hh.

Referenced by waters().

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

• src/core/scoring/methods/LK_BallInfo.hh
• src/core/scoring/methods/LK_BallInfo.cc