protocols::jumping::DisulfPairingLibrary Class Reference

#include <DisulfPairingLibrary.hh>

Inheritance diagram for protocols::jumping::DisulfPairingLibrary:

Public Member Functions
	DisulfPairingLibrary ()
void	read_from_file (std::string const &fn)
void	create_jump_fragments (bool bWithTorsion, core::fragment::FragDataOPs &frags) const
core::Size	size () const
void	generate_jump_frags (DisulfPairingsList const &pairings, core::kinematics::MoveMap const &mm, bool bWithTorsion, core::fragment::FragSet &frags_accumulator) const
Public Member Functions inherited from protocols::jumping::BaseDisulfPairingLibrary
	~BaseDisulfPairingLibrary () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...

Private Types
typedef std::vector < DisulfTemplate >	DisulfTemplateList
typedef std::map< std::pair < int, int > , DisulfTemplateList >	DisulfTemplateMap

Private Attributes
DisulfTemplateMap	pairings_
DisulfTemplateList	all_pairings_
core::Size	num_of_pairings_

Member Typedef Documentation

typedef std::vector< DisulfTemplate > protocols::jumping::DisulfPairingLibrary::DisulfTemplateList

private

typedef std::map< std::pair< int, int >, DisulfTemplateList > protocols::jumping::DisulfPairingLibrary::DisulfTemplateMap

private

Constructor & Destructor Documentation

protocols::jumping::DisulfPairingLibrary::DisulfPairingLibrary ( )

inline

Member Function Documentation

void protocols::jumping::DisulfPairingLibrary::create_jump_fragments	(	bool	bWithTorsion,
		core::fragment::FragDataOPs &	frags
	)		const

puts all jump-geometries that fit the orientation and pleating into list of FragData's. Try to reuse these FragData for different Frames that have same orientation and pleating

References all_pairings_, protocols::loops::start, and protocols::loops::stop.

Referenced by protocols::topology_broker::DisulfJumpClaimer::generate_jump_frags(), and generate_jump_frags().

void protocols::jumping::DisulfPairingLibrary::generate_jump_frags	(	DisulfPairingsList const &	pairings,
		core::kinematics::MoveMap const &	mm,
		bool	bWithTorsion,
		core::fragment::FragSet &	frags_accumulator
	)		const

References core::fragment::FragSet::add(), create_jump_fragments(), protocols::jumping::generate_empty_jump_frame(), and core::kinematics::MoveMap::get_bb().

void protocols::jumping::DisulfPairingLibrary::read_from_file

(

std::string const &

fn

)

References all_pairings_, protocols::abinitio::filename(), num_of_pairings_, pairings_, protocols::jumping::DisulfTemplate::rt_, and protocols::hybridization::t.

Referenced by protocols::jumping::StandardDisulfPairingLibrary::StandardDisulfPairingLibrary().

core::Size protocols::jumping::DisulfPairingLibrary::size ( ) const

inline

References num_of_pairings_.

Member Data Documentation

DisulfTemplateList protocols::jumping::DisulfPairingLibrary::all_pairings_

private

Referenced by create_jump_fragments(), and read_from_file().

core::Size protocols::jumping::DisulfPairingLibrary::num_of_pairings_

private

Referenced by read_from_file(), and size().

DisulfTemplateMap protocols::jumping::DisulfPairingLibrary::pairings_

private

Referenced by read_from_file().

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

• src/protocols/jumping/DisulfPairingLibrary.hh
• src/protocols/jumping/DisulfPairingLibrary.cc