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Make tests from data files for OpenBabelParser #15

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lunamorrow opened this issue Jul 24, 2024 · 0 comments
Open

Make tests from data files for OpenBabelParser #15

lunamorrow opened this issue Jul 24, 2024 · 0 comments

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@lunamorrow
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          I would add at least three more OBmols originating from files to test. Try and vary the chemistry, something large and protein-like perhaps, an SDF with a complex organic ligand, and  something rather metallic.  You can set these up in `conftest.py`

Originally posted by @hmacdope in #12 (comment)
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