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