BALL::RingFinder Class Reference
#include <BALL/KERNEL/standardPredicates.h>
List of all members.
Detailed Description
Helper class for all predicates that need ring information.
Constructor & Destructor Documentation
| BALL::RingFinder::RingFinder |
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| BALL::RingFinder::RingFinder |
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Size |
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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.
| virtual BALL::RingFinder::~RingFinder |
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Member Function Documentation
| bool BALL::RingFinder::dfs |
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const Atom & |
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const Size |
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Depth first search for finding rings.
| const std::vector<const Atom*>& BALL::RingFinder::getRingAtoms |
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Return the vector of ring atoms.
| const HashSet<const Bond*>& BALL::RingFinder::getVisitedBonds |
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Return the hashset containing all visited bonds.
| bool BALL::RingFinder::operator() |
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const Atom & |
atom |
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Return true, if atom is in a ring.
| void BALL::RingFinder::setRingSize |
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Size |
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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.
Member Data Documentation