Closed DavidACosgrove closed 5 years ago
Confirmed. I will take a look.
What do you know... there's even a FIX:
comment in the code about this:
https://github.com/rdkit/rdkit/blob/master/Code/GraphMol/Wrap/MolSupplier.h#L38
Hi Greg,
I guess you can set the prioritisation score by some inverse function of the time between your writing the FIX: comment and someone complaining!
Thanks, Dave
On Wed, 5 Jun 2019 at 05:52, Greg Landrum notifications@github.com wrote:
What do you know... there's even a FIX: comment in the code about this:
https://github.com/rdkit/rdkit/blob/master/Code/GraphMol/Wrap/MolSupplier.h#L38
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-- David Cosgrove Freelance computational chemistry and chemoinformatics developer http://cozchemix.co.uk
Description:
When reading a SMILES file with SmilesMolSupplier, if there is a parse error on the last line, the error is not easy to catch. It appears that the iterator finishes the loop before the error-handling code is activated. In the code below, the second loop should produce the message Record 7 not read. as for the first loop, but doesn't.
test1.smi:
test2.smi: