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core::scoring::lkball::LKBallDatabase Class Reference

A singleton class which stores data for LKBall terms. This is a separate singleton class, rather than static data on the LKB_ResidueInfo class so that the ResidueType destruction observer has a stable object to call back to. More...

#include <LK_BallInfo.hh>

Inheritance diagram for core::scoring::lkball::LKBallDatabase:
Inheritance graph
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Public Member Functions

 ~LKBallDatabase ()
 
bool has (chemical::ResidueType const &rsd_type) const
 Returns true if the passed rsd_type is in the database. More...
 
void initialize_residue_type (chemical::ResidueType const &rsd_type)
 called the first time we encounter a given ResidueType More...
 
WaterBuilderForRestypeCOP get_water_builder_for_restype (chemical::ResidueType const &rsd_type) const
 
void reset_arrays_danger_expert_only ()
 danger More...
 

Private Types

typedef std::map
< chemical::ResidueType const
*, WaterBuilderForRestypeCOP
WaterBuildersForRestypeMap
 

Private Member Functions

void setup_atom_weights (chemical::ResidueType const &rsd_type, WaterBuildersList const &rsd_water_builders, utility::vector1< AtomWeights > &atom_wts)
 
void restype_destruction_observer (core::chemical::RestypeDestructionEvent const &event)
 
 LKBallDatabase ()
 private constructor More...
 
 LKBallDatabase (LKBallDatabase const &)=delete
 
LKBallDatabaseoperator= (LKBallDatabase const &)=delete
 

Private Attributes

WaterBuildersForRestypeMap water_builders_map_
 

Friends

class utility::SingletonBase< LKBallDatabase >
 

Detailed Description

A singleton class which stores data for LKBall terms. This is a separate singleton class, rather than static data on the LKB_ResidueInfo class so that the ResidueType destruction observer has a stable object to call back to.

Member Typedef Documentation

Constructor & Destructor Documentation

core::scoring::lkball::LKBallDatabase::~LKBallDatabase ( )
core::scoring::lkball::LKBallDatabase::LKBallDatabase ( )
privatedefault

private constructor

core::scoring::lkball::LKBallDatabase::LKBallDatabase ( LKBallDatabase const &  )
privatedelete

Member Function Documentation

WaterBuilderForRestypeCOP core::scoring::lkball::LKBallDatabase::get_water_builder_for_restype ( chemical::ResidueType const &  rsd_type) const

References water_builders_map_.

bool core::scoring::lkball::LKBallDatabase::has ( chemical::ResidueType const &  rsd_type) const

Returns true if the passed rsd_type is in the database.

References water_builders_map_.

Referenced by core::scoring::lkball::LKB_ResidueInfo::initialize().

void core::scoring::lkball::LKBallDatabase::initialize_residue_type ( chemical::ResidueType const &  rsd_type)
LKBallDatabase& core::scoring::lkball::LKBallDatabase::operator= ( LKBallDatabase const &  )
privatedelete
void core::scoring::lkball::LKBallDatabase::reset_arrays_danger_expert_only ( )
void core::scoring::lkball::LKBallDatabase::restype_destruction_observer ( core::chemical::RestypeDestructionEvent const &  event)
private
void core::scoring::lkball::LKBallDatabase::setup_atom_weights ( chemical::ResidueType const &  rsd_type,
WaterBuildersList const &  rsd_water_builders,
utility::vector1< AtomWeights > &  atom_wts 
)
private

Friends And Related Function Documentation

friend class utility::SingletonBase< LKBallDatabase >
friend

Member Data Documentation

WaterBuildersForRestypeMap core::scoring::lkball::LKBallDatabase::water_builders_map_
private

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