BALL::RingFinder Class Reference

#include <BALL/KERNEL/standardPredicates.h>

Public Member Functions
	RingFinder ()
	Default constructor. More...
	RingFinder (Size n)
virtual	~RingFinder ()
	Destructor. More...
bool	operator() (const Atom &atom)
bool	dfs (const Atom &atom, const Size limit)
void	setRingSize (Size n)
const HashSet< const Bond * > &	getVisitedBonds () const
const std::vector< const Atom * > &	getRingAtoms () const

Private Attributes
const Atom *	first_atom_
Size	n_
bool	exact_
HashSet< const Bond * >	visited_bonds_
std::vector< const Atom * >	ring_atoms_

Detailed Description

Helper class for all predicates that need ring information.

Definition at line 833 of file standardPredicates.h.

Constructor & Destructor Documentation

BALL::RingFinder::RingFinder

(

)

Default constructor.

BALL::RingFinder::RingFinder

(

Size

n

)

Detailed constructor. Initialize this instance with the size of the ring we want to find. Default setting is 0 which means that any ring size will match.

virtual BALL::RingFinder::~RingFinder ( )

virtual

Destructor.

Member Function Documentation

bool BALL::RingFinder::dfs	(	const Atom &	atom,
		const Size	limit
	)

Depth first search for finding rings.

const std::vector<const Atom*>& BALL::RingFinder::getRingAtoms

(

)

const

Return the vector of ring atoms.

const HashSet<const Bond*>& BALL::RingFinder::getVisitedBonds

(

)

const

Return the hashset containing all visited bonds.

bool BALL::RingFinder::operator()

(

const Atom &

atom

)

Return true, if atom is in a ring.

void BALL::RingFinder::setRingSize

(

Size

n

)

Set the ring size we want to find. Ring sizes below 3 will always return false, except if the size is set to 0, then any ring size will match.

Member Data Documentation

bool BALL::RingFinder::exact_

private

Definition at line 885 of file standardPredicates.h.

const Atom* BALL::RingFinder::first_atom_

private

Definition at line 877 of file standardPredicates.h.

Size BALL::RingFinder::n_

private

Definition at line 881 of file standardPredicates.h.

std::vector<const Atom*> BALL::RingFinder::ring_atoms_

private

Definition at line 893 of file standardPredicates.h.

HashSet<const Bond*> BALL::RingFinder::visited_bonds_

private

Definition at line 889 of file standardPredicates.h.