Timestamp:
Jul 28, 2008, 2:41:22 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
d49416
Parents:
3f805d
Message:

CyclicStructureAnalysis: BUGFIX - MinimumRingSize of non-loop atoms was wrong

  • new bool atom:IsCyclic states whether atoms is part of a cycle or not, this is set in CyclicStructureAnalysis()
  • MinimumRingSize was set to MinimumRingSize plus ShortestPath thereto. This gives correct results only if this goes to a loop-member. However the if-condition was phrased in such a manner, that it became possible that non-loop members (with MinimumRingSize set below AtomCount) would now also be regarded als loop members. This is sort of a triangle inequality problem :), path of A to B plus path from B to C is probably not the same as path from A to C in terms of length
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