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Published 20 hours ago • verified publisher icon BALL-Project

Cleanup the kekulizer interface

Open anhi opened this issue 10 years ago • 1 comments

Reported by akdehof on 28 Jan 40768795 14:48 UTC Currently the kekulizer needs vector< std::set< Atom * > > arings, rings whereas the RingPerceptionProcessor and AromaticityProcesosr only delivers vector<vector< Atom*> >. Move these computations into the kekuliser, fix the kekuliz/ser confusion, create a python interface, add some tests, and update the code library in the wiki!

anhi avatar Feb 20 '15 02:02 anhi

Commented by akdehof on 7 Jan 40936099 17:59 UTC Deferred to 1.4.1

anhi avatar Feb 20 '15 06:02 anhi