Files
rdkit/Code/GraphMol/FMCS/testFMCS_Unit.cpp
Greg Landrum 4db0bade46 Fixes $945
Fixes #2420

Tests updated to reflect changes.

The existing CompleteRingsOnly code wasn't actually guaranteeing CompleteRingsOnly at all, it was just causing #2420.
The updated code actually makes sure that bonds that were ring bonds in one of the queries are ring bonds in the final MCS.
This is done via a relatively simple DFS.
2019-04-24 14:30:38 +02:00

53 KiB