BALL 1.5.0
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Public Member Functions | List of all members
BALL::RingFinder Class Reference

#include <BALL/KERNEL/standardPredicates.h>

Public Member Functions

 RingFinder ()
 Default constructor.
 
 RingFinder (Size n)
 
virtual ~RingFinder ()
 Destructor.
 
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
 

Detailed Description

Helper class for all predicates that need ring information.

Definition at line 833 of file standardPredicates.h.

Constructor & Destructor Documentation

◆ RingFinder() [1/2]

BALL::RingFinder::RingFinder ( )

Default constructor.

◆ RingFinder() [2/2]

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.

◆ ~RingFinder()

virtual BALL::RingFinder::~RingFinder ( )
virtual

Destructor.

Member Function Documentation

◆ dfs()

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

Depth first search for finding rings.

◆ getRingAtoms()

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

Return the vector of ring atoms.

◆ getVisitedBonds()

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

Return the hashset containing all visited bonds.

◆ operator()()

bool BALL::RingFinder::operator() ( const Atom atom)

Return true, if atom is in a ring.

◆ setRingSize()

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.