core::pack::rotamers::SingleResidueRotamerLibraryFactory Class Reference

#include <SingleResidueRotamerLibraryFactory.hh>

Inheritance diagram for core::pack::rotamers::SingleResidueRotamerLibraryFactory:

Public Member Functions
void	factory_register (SingleResidueRotamerLibraryCreatorOP creator)
bool	has_type (std::string const &) const
std::string	type_for_residuetype (core::chemical::ResidueType const &restype) const
core::pack::rotamers::SingleResidueRotamerLibraryCOP	get (core::chemical::ResidueType const &, bool const forcebasic=false) const
	Get the SingleResidueRotamerLibrary coresponding to the given ResidueType. If forcebasic is true, a SingleBasicRotamerLibrary will be returned instead of a null pointer. More...
core::pack::rotamers::SingleResidueRotamerLibraryCOP	get (core::chemical::ResidueType const &, core::conformation::Residue const &) const
	Get the SingleResidueRotamerLibrary coresponding to the given ResidueType. More...

Private Types
typedef std::map< std::string, SingleResidueRotamerLibraryCreatorOP >	CreatorMap

Private Member Functions
std::string	get_cachetag (core::chemical::ResidueType const &restype) const
	SingleResidueRotamerLibraryFactory ()
	SingleResidueRotamerLibraryFactory (SingleResidueRotamerLibraryFactory const &)
SingleResidueRotamerLibraryFactory const &	operator= (SingleResidueRotamerLibraryFactory const &)

Private Attributes
CreatorMap	creator_map_
std::map< std::pair < std::string, std::string > , core::pack::rotamers::SingleResidueRotamerLibraryCOP >	cache_

Friends
class	utility::SingletonBase< SingleResidueRotamerLibraryFactory >

Member Typedef Documentation

typedef std::map< std::string, SingleResidueRotamerLibraryCreatorOP > core::pack::rotamers::SingleResidueRotamerLibraryFactory::CreatorMap

private

Constructor & Destructor Documentation

core::pack::rotamers::SingleResidueRotamerLibraryFactory::SingleResidueRotamerLibraryFactory ( )

private

core::pack::rotamers::SingleResidueRotamerLibraryFactory::SingleResidueRotamerLibraryFactory ( SingleResidueRotamerLibraryFactory const &  )

private

Member Function Documentation

void core::pack::rotamers::SingleResidueRotamerLibraryFactory::factory_register

(

SingleResidueRotamerLibraryCreatorOP

creator

)

References creator_map_.

core::pack::rotamers::SingleResidueRotamerLibraryCOP core::pack::rotamers::SingleResidueRotamerLibraryFactory::get	(	core::chemical::ResidueType const &	restype,
		bool const	forcebasic = false
	)		const

Get the SingleResidueRotamerLibrary coresponding to the given ResidueType. If forcebasic is true, a SingleBasicRotamerLibrary will be returned instead of a null pointer.

If a cachetag exists for the ResidueType, store the information in the cache. If not, always regenerate the RotamerLibrary

Author

Rocco Moretti

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu) – implemented more efficient locking scheme.

References cache_, creator_map_, get_cachetag(), and type_for_residuetype().

Referenced by core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_dof_derivative(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_residue_derivatives(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_residue_dof_derivative(), protocols::match::downstream::LigandConformerBuilder::initialize_conformers(), protocols::match::Matcher::initialize_from_file(), core::pack::dunbrack::cenrot::CenRotDunEnergy::residue_energy(), protocols::match::upstream::DunbrackSCSampler::samples(), and protocols::match::set_ligpose_rotamer().

core::pack::rotamers::SingleResidueRotamerLibraryCOP core::pack::rotamers::SingleResidueRotamerLibraryFactory::get	(	core::chemical::ResidueType const &	restype,
		core::conformation::Residue const &	residue
	)		const

Get the SingleResidueRotamerLibrary coresponding to the given ResidueType.

References creator_map_, get_cachetag(), and type_for_residuetype().

std::string core::pack::rotamers::SingleResidueRotamerLibraryFactory::get_cachetag ( core::chemical::ResidueType const &  restype ) const

private

References core::chemical::ResidueTypeBase::rotamer_library_specification().

Referenced by get().

bool core::pack::rotamers::SingleResidueRotamerLibraryFactory::has_type

(

std::string const &

selector_type

)

const

References creator_map_.

Referenced by type_for_residuetype().

SingleResidueRotamerLibraryFactory const& core::pack::rotamers::SingleResidueRotamerLibraryFactory::operator= ( SingleResidueRotamerLibraryFactory const &  )

private

std::string core::pack::rotamers::SingleResidueRotamerLibraryFactory::type_for_residuetype

(

core::chemical::ResidueType const &

restype

)

const

Will also check to make sure that the Creator is in the map and appropriately registered.

References creator_map_, has_type(), core::chemical::ResidueTypeBase::name(), core::chemical::ResidueTypeBase::rotamer_library_specification(), and core::pack::rotamers::TR().

Referenced by get().

Friends And Related Function Documentation

friend class utility::SingletonBase< SingleResidueRotamerLibraryFactory >

friend

Member Data Documentation

std::map< std::pair< std::string, std::string >, core::pack::rotamers::SingleResidueRotamerLibraryCOP > core::pack::rotamers::SingleResidueRotamerLibraryFactory::cache_

mutableprivate

Referenced by get().

CreatorMap core::pack::rotamers::SingleResidueRotamerLibraryFactory::creator_map_

private

Referenced by factory_register(), get(), has_type(), and type_for_residuetype().

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

• src/core/pack/rotamers/SingleResidueRotamerLibraryFactory.hh
• src/core/pack/rotamers/SingleResidueRotamerLibraryFactory.cc