SDG fails for compounds with long tails, e.g.
Several atoms chains are placed on top of each other;
Though the fine tune gives them slightly different
locations, the atom symbols and double bonds make it
impossible to deduce the connectivity.
Logged In: YES
BTW, a JUnit test for this can be made by checking wether
all atoms are a reasonable distance apart in 2D space, e.g.
25% of the C-C bond length.
Ticket moved from /p/cdk/bugs/391/
Request for enhancement - SDG needs improvements.
Works much better now:
Log in to post a comment.