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Public Member Functions | Private Types | Private Attributes | List of all members
protocols::jumping::DisulfPairingLibrary Class Reference

#include <DisulfPairingLibrary.hh>

Inheritance diagram for protocols::jumping::DisulfPairingLibrary:
Inheritance graph
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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::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
void protocols::jumping::DisulfPairingLibrary::read_from_file ( std::string const &  fn)
core::Size protocols::jumping::DisulfPairingLibrary::size ( ) const
inline

References num_of_pairings_.

Member Data Documentation

DisulfTemplateList protocols::jumping::DisulfPairingLibrary::all_pairings_
private
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().


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