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protocols::fldsgn::topology::HelixPairingSet Class Reference

#include <HelixPairing.hh>

Inheritance diagram for protocols::fldsgn::topology::HelixPairingSet:
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Public Types

typedef std::string String
 
typedef core::Size Size
 
typedef protocols::fldsgn::topology::SS_Info2_COP SS_Info2_COP
 

Public Member Functions

 HelixPairingSet ()
 default constructor More...
 
 HelixPairingSet (HelixPairings const &helix_pairings)
 value constructor More...
 
 HelixPairingSet (String const &helix_pairings)
 value constructor More...
 
 HelixPairingSet (HelixPairingSet const &s)
 copy constructor More...
 
 ~HelixPairingSet () override
 default destructor More...
 
HelixPairingSetOP clone () const
 clone this object More...
 
void push_back (HelixPairingOP const hop)
 add HelixPairingOP to StrandPairingSet More...
 
void clear ()
 clear data of this HelixPairingSet More...
 
HelixPairingOP helix_pairing (core::Size const s) const
 return one of the strand_pairings given a number More...
 
HelixPairingOP helix_pairing (core::Size const h1, core::Size const h2)
 return the pointer of the helix pairing, given the two helix numbers of h1, and h2 if h1 and h2 does not make pairing, return 0 More...
 
HelixPairings const & helix_pairings () const
 return all helix pairings More...
 
core::Size size () const
 return the size of helix_pairings_ More...
 
void calc_geometry (SS_Info2_COP ss_info)
 calc geomtry of helix pairing More...
 
String name () const
 the name of HelixPairingSet is expressed by the combination of helix pairings More...
 

Private Member Functions

void create_map_helix_pairings ()
 create map strand_pairings More...
 

Private Attributes

HelixPairings helix_pairings_
 vector1 including owning pointers of HelixPairing More...
 
String hpairset_name_
 the name of HelixPairingSet is expressed by the combination of helix pairings More...
 
core::Size num_helices_
 the total number of strands included in HelixPairingSet More...
 
bool initialize_map_helix_pairings_
 whether the map_helix_pairings_ is initialized or not More...
 
utility::vector1< utility::vector1< HelixPairingOP > > map_helix_pairings_
 2D table of the pointer of helix pairing, which is sorted by the helix number More...
 

Friends

std::ostream & operator<< (std::ostream &out, const HelixPairingSet &s)
 return strand pairing More...
 

Member Typedef Documentation

◆ Size

◆ SS_Info2_COP

◆ String

Constructor & Destructor Documentation

◆ HelixPairingSet() [1/4]

protocols::fldsgn::topology::HelixPairingSet::HelixPairingSet ( )

default constructor

◆ HelixPairingSet() [2/4]

protocols::fldsgn::topology::HelixPairingSet::HelixPairingSet ( HelixPairings const &  helix_pairings)

◆ HelixPairingSet() [3/4]

protocols::fldsgn::topology::HelixPairingSet::HelixPairingSet ( String const &  helix_pairings)

value constructor

References helix_pairings(), and helix_pairings_.

◆ HelixPairingSet() [4/4]

protocols::fldsgn::topology::HelixPairingSet::HelixPairingSet ( HelixPairingSet const &  s)

copy constructor

◆ ~HelixPairingSet()

protocols::fldsgn::topology::HelixPairingSet::~HelixPairingSet ( )
overridedefault

default destructor

destructor

Member Function Documentation

◆ calc_geometry()

void protocols::fldsgn::topology::HelixPairingSet::calc_geometry ( SS_Info2_COP  ss_info)

calc geomtry of helix pairing

calculate geomtry of helix parings

References helix_pairings_.

Referenced by protocols::fldsgn::filters::HelixPairingFilter::apply(), and protocols::fldsgn::filters::HelixPairingFilter::compute().

◆ clear()

void protocols::fldsgn::topology::HelixPairingSet::clear ( )

clear data of this HelixPairingSet

clear data of this HelixParingSet

References helix_pairings_, hpairset_name_, initialize_map_helix_pairings_, and map_helix_pairings_.

◆ clone()

HelixPairingSetOP protocols::fldsgn::topology::HelixPairingSet::clone ( ) const

clone this object

◆ create_map_helix_pairings()

void protocols::fldsgn::topology::HelixPairingSet::create_map_helix_pairings ( )
private

create map strand_pairings

create 2D table of helix pairings

References protocols::fldsgn::topology::HelixPairing::h2(), helix_pairings_, initialize_map_helix_pairings_, map_helix_pairings_, and num_helices_.

Referenced by helix_pairing().

◆ helix_pairing() [1/2]

HelixPairingOP protocols::fldsgn::topology::HelixPairingSet::helix_pairing ( core::Size const  h1,
core::Size const  h2 
)

return the pointer of the helix pairing, given the two helix numbers of h1, and h2 if h1 and h2 does not make pairing, return 0

References create_map_helix_pairings(), protocols::antibody::h1, protocols::antibody::h2, initialize_map_helix_pairings_, map_helix_pairings_, and num_helices_.

◆ helix_pairing() [2/2]

HelixPairingOP protocols::fldsgn::topology::HelixPairingSet::helix_pairing ( core::Size const  s) const

return one of the strand_pairings given a number

return one of the stand_pairings give a number

References helix_pairings_.

Referenced by protocols::fldsgn::filters::HelixPairingFilter::compute().

◆ helix_pairings()

HelixPairings const & protocols::fldsgn::topology::HelixPairingSet::helix_pairings ( ) const

◆ name()

String protocols::fldsgn::topology::HelixPairingSet::name ( ) const

the name of HelixPairingSet is expressed by the combination of helix pairings

return hpairset_name_

References hpairset_name_.

◆ push_back()

void protocols::fldsgn::topology::HelixPairingSet::push_back ( HelixPairingOP const  hop)

add HelixPairingOP to StrandPairingSet

add HelixPairingOP to StandPairingSet

References helix_pairings_, hpairset_name_, and initialize_map_helix_pairings_.

◆ size()

Size protocols::fldsgn::topology::HelixPairingSet::size ( ) const

return the size of helix_pairings_

References helix_pairings_.

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<< ( std::ostream &  out,
const HelixPairingSet s 
)
friend

return strand pairing

Member Data Documentation

◆ helix_pairings_

HelixPairings protocols::fldsgn::topology::HelixPairingSet::helix_pairings_
private

◆ hpairset_name_

String protocols::fldsgn::topology::HelixPairingSet::hpairset_name_
private

the name of HelixPairingSet is expressed by the combination of helix pairings

Referenced by clear(), HelixPairingSet(), name(), and push_back().

◆ initialize_map_helix_pairings_

bool protocols::fldsgn::topology::HelixPairingSet::initialize_map_helix_pairings_
private

whether the map_helix_pairings_ is initialized or not

Referenced by clear(), create_map_helix_pairings(), helix_pairing(), and push_back().

◆ map_helix_pairings_

utility::vector1< utility::vector1< HelixPairingOP > > protocols::fldsgn::topology::HelixPairingSet::map_helix_pairings_
private

2D table of the pointer of helix pairing, which is sorted by the helix number

Referenced by clear(), create_map_helix_pairings(), and helix_pairing().

◆ num_helices_

core::Size protocols::fldsgn::topology::HelixPairingSet::num_helices_
private

the total number of strands included in HelixPairingSet

Referenced by create_map_helix_pairings(), and helix_pairing().


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