core::chemical::rotamers::DunbrackRotamerLibrarySpecification Class Reference

#include <DunbrackRotamerLibrarySpecification.hh>

Inheritance diagram for core::chemical::rotamers::DunbrackRotamerLibrarySpecification:

Public Member Functions
	DunbrackRotamerLibrarySpecification ()
	DunbrackRotamerLibrarySpecification (AA aa)
	DunbrackRotamerLibrarySpecification (std::istream &input)
RotamerLibrarySpecificationOP	clone () const override
	Create a copy of the RotamerLibrarySpecification, respecting the subclassing. More...
AA	get_aa () const
	The AA for which we're building the Rotamer library. More...
void	aa (AA aa)
std::string	keyname () const override
	Which type of SingleResidueRotamerLibrary does this specification sub-type correspond to? More...
std::string	cache_tag (ResidueType const &) const override
	Return empty string, as Dunbrack rotamer caching happens external to the Factory caching. More...
void	describe (std::ostream &out) const override
	Write a params-file-like description of this RotamerLibrarySpecification to the given output stream. Can be multi-line, will be ended with a newline. More...
Public Member Functions inherited from core::chemical::rotamers::RotamerLibrarySpecification
	RotamerLibrarySpecification ()=default

Static Public Member Functions
static std::string	library_name ()
	Static function for access to type_name, to have a single string which is used for both this class and for the SingleResidueRotamerLibraryCreator. More...

Private Attributes
AA	aa_

Constructor & Destructor Documentation

core::chemical::rotamers::DunbrackRotamerLibrarySpecification::DunbrackRotamerLibrarySpecification

(

)

core::chemical::rotamers::DunbrackRotamerLibrarySpecification::DunbrackRotamerLibrarySpecification

(

AA

aa

)

References aa().

core::chemical::rotamers::DunbrackRotamerLibrarySpecification::DunbrackRotamerLibrarySpecification

(

std::istream &

input

)

References aa(), and core::chemical::aa_from_name().

Member Function Documentation

void core::chemical::rotamers::DunbrackRotamerLibrarySpecification::aa

(

AA

aa

)

References aa_, core::chemical::is_canonical_D_aa(), and core::chemical::num_canonical_aas.

Referenced by DunbrackRotamerLibrarySpecification().

std::string core::chemical::rotamers::DunbrackRotamerLibrarySpecification::cache_tag ( ResidueType const &  ) const

inlineoverridevirtual

Return empty string, as Dunbrack rotamer caching happens external to the Factory caching.

Reimplemented from core::chemical::rotamers::RotamerLibrarySpecification.

RotamerLibrarySpecificationOP core::chemical::rotamers::DunbrackRotamerLibrarySpecification::clone ( ) const

overridevirtual

Create a copy of the RotamerLibrarySpecification, respecting the subclassing.

Implements core::chemical::rotamers::RotamerLibrarySpecification.

void core::chemical::rotamers::DunbrackRotamerLibrarySpecification::describe ( std::ostream &  out ) const

overridevirtual

Write a params-file-like description of this RotamerLibrarySpecification to the given output stream. Can be multi-line, will be ended with a newline.

Implements core::chemical::rotamers::RotamerLibrarySpecification.

References aa_, library_name(), and core::chemical::name_from_aa().

AA core::chemical::rotamers::DunbrackRotamerLibrarySpecification::get_aa ( ) const

inline

The AA for which we're building the Rotamer library.

References aa_, and core::chemical::aa_unk.

std::string core::chemical::rotamers::DunbrackRotamerLibrarySpecification::keyname ( ) const

overridevirtual

Which type of SingleResidueRotamerLibrary does this specification sub-type correspond to?

Implements core::chemical::rotamers::RotamerLibrarySpecification.

References library_name().

std::string core::chemical::rotamers::DunbrackRotamerLibrarySpecification::library_name ( )

static

Static function for access to type_name, to have a single string which is used for both this class and for the SingleResidueRotamerLibraryCreator.

Referenced by describe(), core::pack::dunbrack::SingleResidueDunbrackLibraryCreator::keyname(), core::chemical::rotamers::DunbrackRotamerLibrarySpecificationCreator::keyname(), and keyname().

Member Data Documentation

AA core::chemical::rotamers::DunbrackRotamerLibrarySpecification::aa_

private

Referenced by aa(), describe(), and get_aa().

---

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

• src/core/chemical/rotamers/DunbrackRotamerLibrarySpecification.hh
• src/core/chemical/rotamers/DunbrackRotamerLibrarySpecification.cc