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Home ChemPack CStruct Class TCTab Methods FindShortestRings
See also: FindSSSR, AtFlag, RingsInMolecule, Discussion of ring search algorithms 

FindShortestRings

Unit:SDL_cstruct
Class:TCTab
Declaration:function FindShortestRings (AtomIx: word; var RingList: RingListType): integer;

The method FindShortestRings locates those rings of a structure which have the atom AtomIx in common and are the smallest possible rings. In many cases there will be only one such ring. The function returns the number of rings found. If the atom AtomIx is not at all a member of a ring or AtomIx contains an invalid value, a zero value is returned. The variable parameter RingList contains the detected rings.

Hint: Rings which only differ by formal parameters but are structurally equal (e.g. different ordering of ring atoms) are entered into the ring list only once.

Last Update: 2023-Dec-13