Timestamp:
May 9, 2008, 2:20:08 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
cc6dfb
Parents:
2700f5e
Message:

MinimumRingSize is now an array over all atoms

Each entry in MinimumRingSize defines the maximum bond order possible due to membership in or vicinity to a ring. In order to do create this array, CyclicStructureAnalysis() was expanded with another BFS going over all atoms that are only close to a ring (nearest ring member is search and entri in array set). All other functions such as DepthFirstSearchAnalysis() and FragmentBOSSANOVA(), where the MinimumRingSize is now checked (and not in FragmentMolecule) anymore, are adapted to have an array parameter.

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