#include <BetaAlphaBetaMotif.hh>

Inheritance diagram for protocols::fldsgn::topology::BetaAlphaBetaMotif:

Collaboration diagram for protocols::fldsgn::topology::BetaAlphaBetaMotif:

Public Types
typedef core::Size	Size

typedef core::Real	Real

typedef std::string	String

typedef core::Vector	Vector

typedef protocols::fldsgn::topology::SS_Info2_COP	SS_Info2_COP

Public Member Functions
	BetaAlphaBetaMotif ()
	default constructor More...

	BetaAlphaBetaMotif (Size const &strand1, Size const &strand2, Size const &helix, Size const &cross_over)
	value constructor More...

	BetaAlphaBetaMotif (BetaAlphaBetaMotif const &s)
	copy constructor More...

virtual	~BetaAlphaBetaMotif ()
	destructor More...

String	name () const
	return name More...

Size	helix () const

Size	strand1 () const

Size	strand2 () const

Size	cross_over () const

bool	is_lefthanded () const

Real	hsheet_dist () const

Real	hs1_dist () const

Real	hs2_dist () const

Real	hs_angle () const

Real	hsheet_elev_angle () const

utility::vector1< Size >	helix_cycle () const

String	helix_cycle_as_string () const
	return helix cycle as string More...

Size	calc_inout (SS_Info2_COP const ssinfo, Size const resi) const
	whether the CB->CA vector of the C-term residue of 1st strand is pointing inward or outward 1: inward, 2: outward More...

void	calc_geometry (SS_Info2_COP const ssinfo, SheetSetCOP const sheet_set)

Private Member Functions
void	left_handed (bool const v)

void	calc_helix_cycle (SS_Info2_COP const ssinfo)
	calc helix cycle against sheet. Helix cycle is classified as 0, 1, 2, 3, 4, which denote the position on helix, where the residue pointing to sheet plane. 0 means helix cycle is not calculated, or it's impossible to determine the helix cycle. More...

Private Attributes
Size	strand1_
	data More...

Size	strand2_
	id of strand More...

Size	helix_
	id of helix More...

Size	cross_over_
	number of strands crossed over by bab-motif More...

bool	left_handed_
	is this left handed ? More...

Vector	sheet_plane_
	vector to define sheet plane More...

Vector	sheet_pos_
	one positional vector in beta sheet plane More...

Real	hs_dist_
	distance between helix and sheet More...

Real	hs_angle_
	angle between helix projected on sheet and strands More...

Real	hs1_dist_
	distance between helix and mid point of strand1_ More...

Real	hs2_dist_
	distance between helix and mid point of strand2_ More...

Real	hsheet_elev_angle_
	elevation angle of helix respect to sheet More...

utility::vector1< Size >	helix_cycle_
	cylce of helix against sheet More...

bool	geometry_is_initialized_

Friends
std::ostream &	operator<< (std::ostream &out, const BetaAlphaBetaMotif &s)
	IO Operator. More...

Detailed Description

Definition at line 37 of file BetaAlphaBetaMotif.hh.

Member Typedef Documentation

typedef core::Real protocols::fldsgn::topology::BetaAlphaBetaMotif::Real

Definition at line 42 of file BetaAlphaBetaMotif.hh.

typedef core::Size protocols::fldsgn::topology::BetaAlphaBetaMotif::Size

Definition at line 41 of file BetaAlphaBetaMotif.hh.

typedef protocols::fldsgn::topology::SS_Info2_COP protocols::fldsgn::topology::BetaAlphaBetaMotif::SS_Info2_COP

Definition at line 45 of file BetaAlphaBetaMotif.hh.

typedef std::string protocols::fldsgn::topology::BetaAlphaBetaMotif::String

Definition at line 43 of file BetaAlphaBetaMotif.hh.

typedef core::Vector protocols::fldsgn::topology::BetaAlphaBetaMotif::Vector

Definition at line 44 of file BetaAlphaBetaMotif.hh.

Constructor & Destructor Documentation

protocols::fldsgn::topology::BetaAlphaBetaMotif::BetaAlphaBetaMotif ( )

default constructor

Definition at line 49 of file BetaAlphaBetaMotif.cc.

References helix_cycle_.

protocols::fldsgn::topology::BetaAlphaBetaMotif::BetaAlphaBetaMotif	(	Size const &	strand1,
		Size const &	strand2,
		Size const &	helix,
		Size const &	cross_over
	)

value constructor

Definition at line 66 of file BetaAlphaBetaMotif.cc.

References helix_cycle_.

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

copy constructor

Definition at line 87 of file BetaAlphaBetaMotif.cc.

protocols::fldsgn::topology::BetaAlphaBetaMotif::~BetaAlphaBetaMotif ( )

virtual

destructor

Definition at line 106 of file BetaAlphaBetaMotif.cc.

Member Function Documentation

void protocols::fldsgn::topology::BetaAlphaBetaMotif::calc_geometry	(	SS_Info2_COP const	ssinfo,
		SheetSetCOP const	sheet_set
	)

void protocols::fldsgn::topology::BetaAlphaBetaMotif::calc_helix_cycle ( SS_Info2_COP const ssinfo)

private

calc helix cycle against sheet. Helix cycle is classified as 0, 1, 2, 3, 4, which denote the position on helix, where the residue pointing to sheet plane. 0 means helix cycle is not calculated, or it's impossible to determine the helix cycle.

Definition at line 202 of file BetaAlphaBetaMotif.cc.

References protocols::fldsgn::topology::compare(), geometry_is_initialized_, helix_, helix_cycle_, sheet_plane_, sheet_pos_, strand1_, strand2_, and protocols::fldsgn::TR().

Referenced by calc_geometry().