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Enumeration script creates invalid datasets when reaction_id included #697

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connorcoley opened this issue Aug 21, 2023 · 0 comments · Fixed by #699
Closed

Enumeration script creates invalid datasets when reaction_id included #697

connorcoley opened this issue Aug 21, 2023 · 0 comments · Fixed by #699
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@connorcoley
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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.

(open-reaction-database/ord-data#174)
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Fix problem of generating dataset when having reaction_id in the template (#697) FanwangM/ord-schema
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@connorcoley