Rosetta Core: core::util::ABEGOManager Class Reference

Rosetta Core 2014.35

manager for abego More...

#include <ABEGOManager.hh>

Public Types
typedef core::Size	Size

typedef core::Real	Real

typedef std::string	String

typedef core::pose::Pose	Pose

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

virtual	~ABEGOManager ()
	value constructor More...

	ABEGOManager (ABEGOManager const &rval)
	copy constructor More...

Size	total_number_abego ()
	total number of abego definition More...

void	initialize ()
	initialize More...

bool	check_rama (char const &symbol, Real const &phi, Real const &psi, Real const &omega)
	check input torsion angle are in a given abego region More...

Size	torsion2index (Real const phi, Real const psi, Real const omega, Size const level=1)
	get abego index from torsion angles More...

Size	torsion2index_level1 (Real const phi, Real const psi, Real const omega)
	get abego index from torsion angles at level 1 More...

Size	torsion2index_level2 (Real const phi, Real const psi, Real const omega)
	get abego index from torsion angles at level 2 More...

Size	torsion2index_level3 (Real const phi, Real const psi, Real const omega)
	get abego index from torsion angles at level 3 More...

Size	torsion2index_level4 (Real const phi, Real const psi, Real const omega)
	get abego index from torsion angles at level 3 More...

Size	alllevel ()
	all output level in current setup More...

Size	symbol2index (char const &symbol)
	transform abego symbol to index More...

char	index2symbol (Size const &idx)
	transform abego index to symbol More...

utility::vector1< String >	get_symbols (Pose const &pose, Size const level=1)
	get abego sequence from pose More...

utility::vector1< String >	get_symbols (Pose const &pose, Size const begin, Size const end, Size const level)
	get abego sequence from pose More...

String	get_abego_string (utility::vector1< String > abego)
	get abego string More...

Private Attributes
Size	totnum_abego_
	total number of abego symbols More...

std::map< Size, ABEGO >	name2abego_
	map relating the index to ABEGO class More...

Detailed Description

manager for abego

Member Typedef Documentation

typedef core::pose::Pose core::util::ABEGOManager::Pose

typedef core::Real core::util::ABEGOManager::Real

typedef core::Size core::util::ABEGOManager::Size

typedef std::string core::util::ABEGOManager::String

Constructor & Destructor Documentation

core::util::ABEGOManager::ABEGOManager ( )

default constructor

References initialize().

core::util::ABEGOManager::~ABEGOManager ( )

virtual

value constructor

core::util::ABEGOManager::ABEGOManager ( ABEGOManager const & rval )

copy constructor

Member Function Documentation

Size core::util::ABEGOManager::alllevel ( )

inline

all output level in current setup

bool core::util::ABEGOManager::check_rama	(	char const &	symbol,
		Real const &	phi,
		Real const &	psi,
		Real const &	omega
	)

check input torsion angle are in a given abego region

References name2abego_, and symbol2index().

std::string core::util::ABEGOManager::get_abego_string ( utility::vector1< String > abego )

get abego string

References length, and output.

utility::vector1< std::string > core::util::ABEGOManager::get_symbols	(	Pose const &	pose,
		Size const	level = `1`
	)

get abego sequence from pose

References core::pose::Pose::total_residue().

Referenced by core::util::get_abego().

utility::vector1< std::string > core::util::ABEGOManager::get_symbols	(	Pose const &	pose,
		Size const	begin,
		Size const	end,
		Size const	level
	)

get abego sequence from pose

References core::sequence::end, index2symbol(), core::chemical::ResidueType::is_protein(), core::pose::Pose::omega(), core::pose::Pose::phi(), core::pose::Pose::psi(), core::pose::Pose::residue_type(), runtime_assert, torsion2index(), and core::pose::Pose::total_residue().

char core::util::ABEGOManager::index2symbol ( Size const & idx )

transform abego index to symbol

References runtime_assert, and core::util::TR.

Referenced by get_symbols().

void core::util::ABEGOManager::initialize ( )

initialize

intialize ABEGOManager

References core::util::ABEGO::add_line(), core::chemical::element::B, core::id::D, core::chemical::element::N, name2abego_, core::chemical::element::O, core::chemical::element::S, totnum_abego_, and core::chemical::element::Y.

Referenced by ABEGOManager().

Size core::util::ABEGOManager::symbol2index ( char const & symbol )

transform abego symbol to index

References runtime_assert, and core::util::TR.

Referenced by check_rama().

Size core::util::ABEGOManager::torsion2index	(	Real const	phi,
		Real const	psi,
		Real const	omega,
		Size const	level = `1`
	)

get abego index from torsion angles

get abego

References runtime_assert, torsion2index_level1(), torsion2index_level2(), torsion2index_level3(), torsion2index_level4(), and core::util::TR.

Referenced by get_symbols().

Size core::util::ABEGOManager::torsion2index_level1	(	Real const	phi,
		Real const	psi,
		Real const	omega
	)

get abego index from torsion angles at level 1

get abegeo index from torsion angles: ABEGO

Referenced by torsion2index().

Size core::util::ABEGOManager::torsion2index_level2	(	Real const	phi,
		Real const	psi,
		Real const	omega
	)

get abego index from torsion angles at level 2

get abego index from torsion angles: ABEGOD

Referenced by torsion2index().

Size core::util::ABEGOManager::torsion2index_level3	(	Real const	phi,
		Real const	psi,
		Real const	omega
	)

get abego index from torsion angles at level 3

get abego index from torsion angles: ASPZYD

References sign().

Referenced by torsion2index().

Size core::util::ABEGOManager::torsion2index_level4	(	Real const	phi,
		Real const	psi,
		Real const	omega
	)

get abego index from torsion angles at level 3

get abego index from torsion angles: MNSPZYD

References sign().

Referenced by torsion2index().

Size core::util::ABEGOManager::total_number_abego ( )

inline

total number of abego definition

References totnum_abego_.

Member Data Documentation

std::map< Size, ABEGO > core::util::ABEGOManager::name2abego_

private

map relating the index to ABEGO class

Referenced by check_rama(), and initialize().

Size core::util::ABEGOManager::totnum_abego_

private

total number of abego symbols

Referenced by initialize(), and total_number_abego().

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

src/core/util/ABEGOManager.hh
src/core/util/ABEGOManager.cc