BALL
1.4.1
|
#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 |
Private Attributes | |
const Atom * | first_atom_ |
Size | n_ |
bool | exact_ |
HashSet< const Bond * > | visited_bonds_ |
std::vector< const Atom * > | ring_atoms_ |
Helper class for all predicates that need ring information.
Definition at line 833 of file standardPredicates.h.
Default constructor.
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.
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.
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.
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.