public override void SearchMCS(bool shouldMatchBonds) { IList <IReadOnlyList <int> > mappings = null; try { if (source.Atoms.Count >= target.Atoms.Count) { mappings = MCSPlus.GetOverlaps(source, target, shouldMatchBonds); } else { flagExchange = true; mappings = MCSPlus.GetOverlaps(target, source, shouldMatchBonds); } PostFilter.Filter(mappings); SetAllMapping(); SetAllAtomMapping(); SetFirstMapping(); SetFirstAtomMapping(); } catch (CDKException) { mappings = null; } }
public void TestSomeMethod() { // TODO review the generated test code and remove the default call to fail. Assert.IsNotNull(MCSPlus.GetOverlaps(new AtomContainer(), new AtomContainer(), true)); }