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Public Types | Public Member Functions | Private Attributes | Friends | List of all members
protocols::fldsgn::topology::Sheet Class Reference

#include <Sheet.hh>

Inheritance diagram for protocols::fldsgn::topology::Sheet:
Inheritance graph
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Public Types

typedef core::Size Size
 
typedef core::Real Real
 
typedef core::Vector Vector
 
typedef core::pose::Pose Pose
 
typedef utility::vector1
< core::Size
VecSize
 
typedef utility::vector1< int > VecInt
 
typedef utility::vector1< RealVecReal
 
typedef
protocols::fldsgn::topology::SS_Info2_COP 
SS_Info2_COP
 

Public Member Functions

 Sheet ()
 default constructor More...
 
 Sheet (VecSize const &order_strands, VecInt const &orient_strands, bool is_barrel)
 value constructor More...
 
 Sheet (Sheet const &s)
 copy constructor More...
 
 ~Sheet () override
 default destructor More...
 
SheetOP clone ()
 clone this object More...
 
void initialize ()
 intialize this class More...
 
core::Size num_strands () const
 the number strands inclued in More...
 
bool is_barrel () const
 is this barrel ? More...
 
VecSize order_strands () const
 
core::Size order_strand (core::Size const s) const
 
VecInt orient_strands () const
 
int orient_strand (core::Size const s) const
 
core::Size strand_order (core::Size const s)
 
VecInt ca_cb_orients () const
 
int ca_cb_orient (core::Size const s) const
 
int which_side (Vector const &vec) const
 
utility::vector1< Realcalc_sasa_bothsides (Pose const &pose, SS_Info2_COP const ssinfo, Real pore_radius=1.5)
 calc surface areas only with beta-sheet More...
 
void calc_geometry (SS_Info2_COP const ssinfo)
 calc geometry of sheet, sheet_plane_, sheet_center_, ca_cb_orients_ More...
 
bool is_member (core::Size const s)
 whether the given strand number belongs to this sheet or not More...
 

Private Attributes

core::Size num_strands_
 
bool is_barrel_
 
VecSize order_strands_
 order of strand in sheet -> id of strand More...
 
VecInt orient_strands_
 order of strand in sheet -> id of strand More...
 
std::map< core::Size, core::Sizestrand_order_
 id of strand -> order of strand in sheet More...
 
Vector sheet_plane_
 vector defining sheet plane More...
 
Vector sheet_center_
 "center" of sheet More...
 
VecInt ca_cb_orients_
 
bool is_geometry_initialized_
 geometries was calculated or not More...
 

Friends

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

Member Typedef Documentation

typedef utility::vector1< int > protocols::fldsgn::topology::Sheet::VecInt

Constructor & Destructor Documentation

protocols::fldsgn::topology::Sheet::Sheet ( )

default constructor

References initialize().

protocols::fldsgn::topology::Sheet::Sheet ( VecSize const &  order_strands,
VecInt const &  orient_strands,
bool  is_barrel 
)

value constructor

References initialize().

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

copy constructor

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

default destructor

Member Function Documentation

int protocols::fldsgn::topology::Sheet::ca_cb_orient ( core::Size const  s) const
inline

References ca_cb_orients_.

Referenced by calc_sasa_bothsides().

VecInt protocols::fldsgn::topology::Sheet::ca_cb_orients ( ) const
inline

References ca_cb_orients_.

void protocols::fldsgn::topology::Sheet::calc_geometry ( SS_Info2_COP const  ssinfo)

calc geometry of sheet, sheet_plane_, sheet_center_, ca_cb_orients_

calc geometry

References ca_cb_orients_, core::sequence::end, is_geometry_initialized_, num_strands_, order_strands_, orient_strands_, sheet_center_, and sheet_plane_.

utility::vector1< Real > protocols::fldsgn::topology::Sheet::calc_sasa_bothsides ( Pose const &  pose,
SS_Info2_COP const  ssinfo,
Real  pore_radius = 1.5 
)
SheetOP protocols::fldsgn::topology::Sheet::clone ( )
inline

clone this object

void protocols::fldsgn::topology::Sheet::initialize ( )

intialize this class

initialize this class

References num_strands_, order_strands_, and strand_order_.

Referenced by Sheet().

bool protocols::fldsgn::topology::Sheet::is_barrel ( ) const
inline

is this barrel ?

References is_barrel_.

bool protocols::fldsgn::topology::Sheet::is_member ( core::Size const  s)

whether the given strand number belongs to this sheet or not

References order_strands_.

core::Size protocols::fldsgn::topology::Sheet::num_strands ( ) const
inline

the number strands inclued in

References num_strands_.

core::Size protocols::fldsgn::topology::Sheet::order_strand ( core::Size const  s) const
inline

References order_strands_.

VecSize protocols::fldsgn::topology::Sheet::order_strands ( ) const
inline
int protocols::fldsgn::topology::Sheet::orient_strand ( core::Size const  s) const
inline

References orient_strands_.

VecInt protocols::fldsgn::topology::Sheet::orient_strands ( ) const
inline
core::Size protocols::fldsgn::topology::Sheet::strand_order ( core::Size const  s)
inline

References strand_order_.

int protocols::fldsgn::topology::Sheet::which_side ( Vector const &  vec) const

References sheet_center_, and sheet_plane_.

Friends And Related Function Documentation

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

return strand pairing

Member Data Documentation

VecInt protocols::fldsgn::topology::Sheet::ca_cb_orients_
private
bool protocols::fldsgn::topology::Sheet::is_barrel_
private

Referenced by is_barrel().

bool protocols::fldsgn::topology::Sheet::is_geometry_initialized_
private

geometries was calculated or not

Referenced by calc_geometry(), and calc_sasa_bothsides().

core::Size protocols::fldsgn::topology::Sheet::num_strands_
private
VecSize protocols::fldsgn::topology::Sheet::order_strands_
private

order of strand in sheet -> id of strand

Referenced by calc_geometry(), calc_sasa_bothsides(), initialize(), is_member(), order_strand(), and order_strands().

VecInt protocols::fldsgn::topology::Sheet::orient_strands_
private

order of strand in sheet -> id of strand

Referenced by calc_geometry(), orient_strand(), and orient_strands().

Vector protocols::fldsgn::topology::Sheet::sheet_center_
private

"center" of sheet

Referenced by calc_geometry(), and which_side().

Vector protocols::fldsgn::topology::Sheet::sheet_plane_
private

vector defining sheet plane

Referenced by calc_geometry(), and which_side().

std::map< core::Size, core::Size > protocols::fldsgn::topology::Sheet::strand_order_
private

id of strand -> order of strand in sheet

Referenced by initialize(), and strand_order().


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