open-reaction-database / ord-schema

Schema for the Open Reaction Database
https://open-reaction-database.org
Apache License 2.0
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Workup Order #743

Open bdeadman opened 1 month ago

bdeadman commented 1 month ago

Is your feature request related to a problem? Please describe. For the input additions we have addition order, but in workups it is only implied by the order they are recorded.

Describe the solution you'd like Have a workup order field in workups. This would remove ambiguity, and allow workup steps to be re-ordered.

connorcoley commented 1 month ago

Would you want workups to no longer be a repeated field with a strict sequential order, and instead be a map like inputs are?

qai222 commented 1 month ago

Maybe just add an additional workup_order field to ReactionWorkup, like addition_order to ReactionInput?