core::util::ABEGO Class Reference

abego elments More...

#include <ABEGOManager.hh>

Collaboration diagram for core::util::ABEGO:

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 ()
	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< Line >	lines_

Detailed Description

abego elments

Definition at line 98 of file ABEGOManager.hh.

Member Typedef Documentation

typedef core::Real core::util::ABEGO::Real

Definition at line 101 of file ABEGOManager.hh.

typedef std::string core::util::ABEGO::String

Definition at line 102 of file ABEGOManager.hh.

Constructor & Destructor Documentation

core::util::ABEGO::ABEGO ( )

inline

default constructor

Definition at line 107 of file ABEGOManager.hh.

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

inline

value constructor

Definition at line 116 of file ABEGOManager.hh.

References phi_max_, phi_min_, psi_max_, and psi_min_.

core::util::ABEGO::~ABEGO ( )

inline

destrurctor

Definition at line 134 of file ABEGOManager.hh.

Member Function Documentation

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

add line to specify abego region

Definition at line 31 of file ABEGOManager.cc.

References lines_.

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

bool core::util::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

Definition at line 52 of file ABEGOManager.cc.

References check_rama2(), cis_omega_, lines_, name(), phi_max_, phi_min_, protocols::swa::psi(), psi_max_, and psi_min_.

bool core::util::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

Definition at line 38 of file ABEGOManager.cc.

References lines_.

Referenced by check_rama().

bool core::util::ABEGO::cis_omega ( )

inline

Definition at line 143 of file ABEGOManager.hh.

References cis_omega_.

char core::util::ABEGO::name ( )

inline

Definition at line 138 of file ABEGOManager.hh.

References name_.

Referenced by check_rama().

Real core::util::ABEGO::phi_max ( )

inline

Definition at line 139 of file ABEGOManager.hh.

References phi_max_.

Real core::util::ABEGO::phi_min ( )

inline

Definition at line 140 of file ABEGOManager.hh.

References phi_min_.

Real core::util::ABEGO::psi_max ( )

inline

Definition at line 141 of file ABEGOManager.hh.

References psi_max_.

Real core::util::ABEGO::psi_min ( )

inline

Definition at line 142 of file ABEGOManager.hh.

References psi_min_.

Member Data Documentation

bool core::util::ABEGO::cis_omega_

private

Definition at line 162 of file ABEGOManager.hh.

Referenced by check_rama(), and cis_omega().

utility::vector1< Line > core::util::ABEGO::lines_

private

Definition at line 164 of file ABEGOManager.hh.

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

char core::util::ABEGO::name_

private

Definition at line 157 of file ABEGOManager.hh.

Referenced by name().

Real core::util::ABEGO::phi_max_

private

Definition at line 159 of file ABEGOManager.hh.

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

Real core::util::ABEGO::phi_min_

private

Definition at line 158 of file ABEGOManager.hh.

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

Real core::util::ABEGO::psi_max_

private

Definition at line 161 of file ABEGOManager.hh.

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

Real core::util::ABEGO::psi_min_

private

Definition at line 160 of file ABEGOManager.hh.

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

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

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