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core::util::ABEGOManager Class Reference

manager for abego More...

#include <ABEGOManager.hh>

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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< Stringget_symbols (Pose const &pose, Size const level=1)
 get abego sequence from pose More...
 
utility::vector1< Stringget_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, ABEGOname2abego_
 map relating the index to ABEGO class More...
 

Detailed Description

manager for abego

Definition at line 170 of file ABEGOManager.hh.

Member Typedef Documentation

Definition at line 177 of file ABEGOManager.hh.

Definition at line 175 of file ABEGOManager.hh.

Definition at line 174 of file ABEGOManager.hh.

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

Definition at line 176 of file ABEGOManager.hh.

Constructor & Destructor Documentation

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

default constructor

Definition at line 87 of file ABEGOManager.cc.

References initialize().

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

value constructor

Definition at line 27 of file ABEGOManager.cc.

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

copy constructor

Definition at line 93 of file ABEGOManager.cc.

Member Function Documentation

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

all output level in current setup

Definition at line 223 of file ABEGOManager.hh.

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

Definition at line 144 of file ABEGOManager.cc.

References name2abego_, and symbol2index().

Referenced by protocols::fldsgn::filters::SecondaryStructureFilter::apply().

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

get abego sequence from pose

Definition at line 431 of file ABEGOManager.cc.

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

transform abego index to symbol

Definition at line 324 of file ABEGOManager.cc.

References core::util::TR().

Referenced by get_symbols(), and protocols::forge::remodel::RemodelLoopMover::loophash_stage().

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

transform abego symbol to index

Definition at line 363 of file ABEGOManager.cc.

References core::util::TR().

Referenced by check_rama(), and protocols::jd2::parser::BluePrint::read_blueprint().

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

Definition at line 174 of file ABEGOManager.cc.

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

Definition at line 197 of file ABEGOManager.cc.

References protocols::swa::psi().

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

Definition at line 233 of file ABEGOManager.cc.

References protocols::swa::psi().

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

Definition at line 276 of file ABEGOManager.cc.

References protocols::swa::psi().

Referenced by torsion2index().

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

total number of abego definition

Definition at line 195 of file ABEGOManager.hh.

References totnum_abego_.

Member Data Documentation

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

map relating the index to ABEGO class

Definition at line 247 of file ABEGOManager.hh.

Referenced by check_rama(), and initialize().

Size core::util::ABEGOManager::totnum_abego_
private

total number of abego symbols

Definition at line 244 of file ABEGOManager.hh.

Referenced by initialize(), and total_number_abego().


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