core::pack::dunbrack::cenrot::CenrotLibrary Class Reference

Stores and handles loading of centroid rotamers for the canonical amino acids. More...

#include <CenrotLibrary.hh>

Inheritance diagram for core::pack::dunbrack::cenrot::CenrotLibrary:

Public Types
typedef chemical::AA	AA
typedef conformation::Residue	Residue
typedef chemical::ResidueType	ResidueType

Public Member Functions
virtual	~CenrotLibrary ()
SingleResidueCenrotLibraryCOP	get_cenrot_library_by_aa (chemical::AA const &aa) const

Private Member Functions
void	add_cenrot_residue_library (AA const &aa, SingleResidueCenrotLibraryCOP rot_lib)
	Add a centroid canonical AA Dunbrack library. More...
void	create_centroid_rotamer_libraries_from_ASCII ()
	Initialize library from the appropriate database file Called during singleton construction. More...
	CenrotLibrary ()
	CenrotLibrary (CenrotLibrary const &)
CenrotLibrary const &	operator= (CenrotLibrary const &)

Static Private Member Functions
static CenrotLibrary *	create_singleton_instance ()
	private singleton creation function to be used with utility::thread::threadsafe_singleton More...

Private Attributes
utility::vector1 < SingleResidueCenrotLibraryCOP >	cenrot_libraries_

Friends
class	utility::SingletonBase< CenrotLibrary >

Detailed Description

Stores and handles loading of centroid rotamers for the canonical amino acids.

Member Typedef Documentation

typedef chemical::AA core::pack::dunbrack::cenrot::CenrotLibrary::AA

typedef conformation::Residue core::pack::dunbrack::cenrot::CenrotLibrary::Residue

typedef chemical::ResidueType core::pack::dunbrack::cenrot::CenrotLibrary::ResidueType

Constructor & Destructor Documentation

core::pack::dunbrack::cenrot::CenrotLibrary::~CenrotLibrary ( )

virtual

core::pack::dunbrack::cenrot::CenrotLibrary::CenrotLibrary ( )

private

Referenced by create_singleton_instance().

core::pack::dunbrack::cenrot::CenrotLibrary::CenrotLibrary ( CenrotLibrary const &  )

private

Member Function Documentation

void core::pack::dunbrack::cenrot::CenrotLibrary::add_cenrot_residue_library ( AA const &  aa, SingleResidueCenrotLibraryCOP  rot_lib  )

private

Add a centroid canonical AA Dunbrack library.

For thread safety, should only be called during singleton construction. If you make this public, you need to add a mutex

References cenrot_libraries_, core::chemical::num_canonical_aas, and core::pack::dunbrack::cenrot::TR().

Referenced by create_centroid_rotamer_libraries_from_ASCII().

void core::pack::dunbrack::cenrot::CenrotLibrary::create_centroid_rotamer_libraries_from_ASCII ( )

private

Initialize library from the appropriate database file Called during singleton construction.

References core::chemical::aa_from_name(), core::chemical::aa_unk, add_cenrot_residue_library(), core::chemical::num_canonical_aas, and core::pack::dunbrack::cenrot::TR().

Referenced by create_singleton_instance().

CenrotLibrary * core::pack::dunbrack::cenrot::CenrotLibrary::create_singleton_instance ( )

staticprivate

private singleton creation function to be used with utility::thread::threadsafe_singleton

References CenrotLibrary(), and create_centroid_rotamer_libraries_from_ASCII().

SingleResidueCenrotLibraryCOP core::pack::dunbrack::cenrot::CenrotLibrary::get_cenrot_library_by_aa

(

chemical::AA const &

aa

)

const

References cenrot_libraries_, and core::pack::dunbrack::cenrot::TR().

CenrotLibrary const& core::pack::dunbrack::cenrot::CenrotLibrary::operator= ( CenrotLibrary const &  )

private

Friends And Related Function Documentation

friend class utility::SingletonBase< CenrotLibrary >

friend

Member Data Documentation

utility::vector1< SingleResidueCenrotLibraryCOP > core::pack::dunbrack::cenrot::CenrotLibrary::cenrot_libraries_

private

Referenced by add_cenrot_residue_library(), and get_cenrot_library_by_aa().

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

• src/core/pack/dunbrack/cenrot/CenrotLibrary.hh
• src/core/pack/dunbrack/cenrot/CenrotLibrary.cc