[Rdkit-discuss] Invariant violation...

[JP <jea...@in...>]

Can anyone explain what this means:

Writing results to ./top1000.sdf
[12:05:46]

****
Invariant Violation

Violation occurred on line 294 in file
/share/apps/RDKit_2011_03_2/Code/GraphMol/FileParsers/MolFileStereochem.cpp
Failed Expression: pick >= 0
****

Traceback (most recent call last):
  File "./best_result.py", line 168, in <module>
    main()
  File "./best_result.py", line 163, in main
    w.write(result[2])
RuntimeError: Invariant Violation

The python code...

        w = AllChem.SDWriter(output_file)
        for result in res:
            # the molecule is in the second position
            w.write(result[2])
        w.close()

Where result[2] is an RDKit molecule...

Thanks
JP