Fixed two bugs in kekulization of large molecules. First, some large
molecules would fail kekulization when they were actually ok. Second, even
when they were kekulized correctly, the method would still return false.
This tweaks the MDL mol file reader to use the test dimension!=3 instead of “dimension == 2” when deciding to honor the
wedge/hash bonds or to determine the chirality from 3D
coordinates. The subtle difference is that at the point this code
is called, the dimension is not necessarily “2” or “3” if the
(optional) header line is missing. If the header has been omitted,
we treat the molfile like a 2D file (which it most probably is).
Changed SMARTS parser to allow a TAB character (\t) to be
treated as a separator following a SMARTS pattern. This reflects
similar functionality in the SMILES parser and simplifies the task
of writing “patty”-like applications.