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core::sequence::ABEGO Class Reference

abego elments More...

#include <ABEGOManager.hh>

Public Types

typedef core::Real Real
 
typedef std::string String
 

Public Member Functions

 ABEGO ()
 default constructor More...
 
 ABEGO (char const &name, Real phi_min, Real phi_max, Real psi_min, Real psi_max, bool cis_omega)
 value constructor More...
 
 ~ABEGO ()=default
 destrurctor More...
 
char name ()
 
Real phi_max ()
 
Real phi_min ()
 
Real psi_max ()
 
Real psi_min ()
 
bool cis_omega ()
 
void add_line (Real const slope, Real const intercept, bool const region)
 add line to specify abego region More...
 
bool check_rama2 (Real const &phi, Real const &psi)
 check input torsion angle are in a given abego region More...
 
bool check_rama (Real const &phi, Real const &psi, Real const &omega)
 check input torsion angle are in a given abego region More...
 

Private Attributes

char name_
 
Real phi_min_
 
Real phi_max_
 
Real psi_min_
 
Real psi_max_
 
bool cis_omega_
 
utility::vector1< Linelines_
 

Detailed Description

abego elments

Member Typedef Documentation

typedef std::string core::sequence::ABEGO::String

Constructor & Destructor Documentation

core::sequence::ABEGO::ABEGO ( )
inline

default constructor

core::sequence::ABEGO::ABEGO ( char const &  name,
Real  phi_min,
Real  phi_max,
Real  psi_min,
Real  psi_max,
bool  cis_omega 
)
inline

value constructor

References phi_max_, phi_min_, psi_max_, and psi_min_.

core::sequence::ABEGO::~ABEGO ( )
default

destrurctor

Member Function Documentation

void core::sequence::ABEGO::add_line ( Real const  slope,
Real const  intercept,
bool const  region 
)

add line to specify abego region

References lines_.

Referenced by core::sequence::ABEGOManager::initialize().

bool core::sequence::ABEGO::check_rama ( Real const &  phi,
Real const &  psi,
Real const &  omega 
)

check input torsion angle are in a given abego region

check input torsion angles is compatible with defined abego

References check_rama2(), cis_omega_, lines_, name(), phi_max_, phi_min_, psi_max_, and psi_min_.

bool core::sequence::ABEGO::check_rama2 ( Real const &  phi,
Real const &  psi 
)

check input torsion angle are in a given abego region

check input torsion angles is compatible with defined abego

References lines_.

Referenced by check_rama().

bool core::sequence::ABEGO::cis_omega ( )
inline

References cis_omega_.

char core::sequence::ABEGO::name ( )
inline

References name_.

Referenced by check_rama().

Real core::sequence::ABEGO::phi_max ( )
inline

References phi_max_.

Real core::sequence::ABEGO::phi_min ( )
inline

References phi_min_.

Real core::sequence::ABEGO::psi_max ( )
inline

References psi_max_.

Real core::sequence::ABEGO::psi_min ( )
inline

References psi_min_.

Member Data Documentation

bool core::sequence::ABEGO::cis_omega_
private

Referenced by check_rama(), and cis_omega().

utility::vector1< Line > core::sequence::ABEGO::lines_
private

Referenced by add_line(), check_rama(), and check_rama2().

char core::sequence::ABEGO::name_
private

Referenced by name().

Real core::sequence::ABEGO::phi_max_
private

Referenced by ABEGO(), check_rama(), and phi_max().

Real core::sequence::ABEGO::phi_min_
private

Referenced by ABEGO(), check_rama(), and phi_min().

Real core::sequence::ABEGO::psi_max_
private

Referenced by ABEGO(), check_rama(), and psi_max().

Real core::sequence::ABEGO::psi_min_
private

Referenced by ABEGO(), check_rama(), and psi_min().


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