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I want to enable Travis-CI testing. At the very least it should probably:
- Check that the info in the database is complete
- Check for duplicate molecules
- Check that reading in the mol2/sdf files into OEMols results in the same isomeric SMILES as those corresponding to the "source data"
- Re-make the plots and re-compute the statistics (and check that statistics haven't changed?)
More ambitiously, it could also:
- Rebuild input files (all of them is probably too slow, though this could be flagged as a "slow" test and skipped by Travis-CI; perhaps a test could rebuild some of the input files)
- ...?
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