[Openchemistry-developers] ChemicalJSON key capitalization

Ian Daniher ian at nonolithlabs.com
Wed Jun 13 10:44:17 EDT 2012


Hey All,

Thanks for the awesome work on chemkit! It's been a pleasure to use and
Kyle has been awesome about pushing out quick fixes to the
few deficiencies I've found.

I'm writing about a quirk that's been bugging me in your chemjson / 'cjson'
format.

This is perhaps illustrated best by example. Check
https://gist.github.com/2924447 for three "ethane.json" files, the first,
the ChemicalJSON format from the openchemistry wiki. The second is the
abbreviated entry from the ChEBI.json (http://github.com/itdaniher/PyChEBI)
project. The third is the ChEBI (mostly) converted to Chemical JSON.

The issue that's been bugging me is that the third is an invalid Chemical
JSON object due to the case-sensitive nature of the "Chemical JSON" version
key. It would be awfully nice if I could standardize the key cases to
either First Letter Capitalized or all lowercase.

Thoughts?
--
Ian
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