open-reaction-database / ord-schema

Schema for the Open Reaction Database
https://open-reaction-database.org
Apache License 2.0
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Enumeration script creates invalid datasets when reaction_id included #697

Closed connorcoley closed 10 months ago

connorcoley commented 11 months ago

If a reaction_id is defined in the template Reaction, an enumerated Dataset will have repeated reaction_id values and be rejected during submission. I believe the enumeration script should simply check for the existence of the reaction_id field in the template and remove it.

(https://github.com/open-reaction-database/ord-data/pull/174)