BALL::RotateBond Class Reference

#include <BALL/DOCKING/GENETICDOCK/rotateBond.h>

Public Member Functions
	RotateBond ()
	RotateBond (const RotateBond &)
	RotateBond (const Bond &)
	RotateBond (Atom *, Atom *)
	RotateBond (const Bond &, Atom *, Atom *)
	RotateBond (Atom *, Atom *, Atom *, Atom *)
	~RotateBond ()
void	rotate (const Angle &, bool restorePosition=true)
void	setDihedral (const Angle &)
Angle	getDihedral ()
bool	operator< (const RotateBond &rb)

Detailed Description

Definition at line 24 of file rotateBond.h.

Constructor & Destructor Documentation

BALL::RotateBond::RotateBond

(

)

standard constructor

BALL::RotateBond::RotateBond

(

const RotateBond &

)

copy constructor

BALL::RotateBond::RotateBond

(

const Bond &

)

constructor using bond to define axis

BALL::RotateBond::RotateBond	(	Atom *	,
		Atom *
	)

define axis by atoms

BALL::RotateBond::RotateBond	(	const Bond &	,
		Atom *	,
		Atom *
	)

define axis and 2 atoms for dihedral angle

BALL::RotateBond::RotateBond	(	Atom *	,
		Atom *	,
		Atom *	,
		Atom *
	)

define 2 axis and 2 dihedral atoms

BALL::RotateBond::~RotateBond

(

)

destructor

Member Function Documentation

Angle BALL::RotateBond::getDihedral

(

)

get current dihedral angle

bool BALL::RotateBond::operator<

(

const RotateBond &

rb

)

smaller operator

void BALL::RotateBond::rotate	(	const Angle &	,
		bool	restorePosition = true
	)

change dihedral angle

void BALL::RotateBond::setDihedral

(

const Angle &

)

set dihedral angle to new value