#include <standardPredicates.h>
Public Member Functions | |
RingFinder () throw () | |
Default constructor. | |
RingFinder (Size n) throw () | |
Detailed constructor. | |
virtual | ~RingFinder () throw () |
Destructor. | |
bool | operator() (const Atom &atom) throw () |
Return true, if atom is in a ring. | |
bool | dfs (const Atom &atom, const Size limit) throw () |
Depth first search for finding rings. | |
void | setRingSize (Size n) throw () |
Set the ring size we want to find. | |
const HashSet< const Bond * > & | getVisitedBonds () const throw () |
Return the hashset containing all visited bonds. | |
const std::vector< const Atom * > & | getRingAtoms () const throw () |
Return the vector of ring atoms. |
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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. |
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Depth first search for finding rings.
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Return the vector of ring atoms.
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Return the hashset containing all visited bonds.
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Return true, if atom is in a ring.
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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. |