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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:
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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 &)
 

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

Constructor & Destructor Documentation

core::pack::dunbrack::cenrot::CenrotLibrary::~CenrotLibrary ( )
virtualdefault
core::pack::dunbrack::cenrot::CenrotLibrary::CenrotLibrary ( )
private
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 protocols::cluster::calibur::aa, 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(), add_cenrot_residue_library(), core::chemical::num_canonical_aas, and core::pack::dunbrack::cenrot::TR().

Referenced by CenrotLibrary().

SingleResidueCenrotLibraryCOP core::pack::dunbrack::cenrot::CenrotLibrary::get_cenrot_library_by_aa ( chemical::AA const &  aa) const
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

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