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Guidance on updating an ORD database from a (much) earlier version #742

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bdeadman opened this issue Jul 23, 2024 · 3 comments
Open

Guidance on updating an ORD database from a (much) earlier version #742

bdeadman opened this issue Jul 23, 2024 · 3 comments
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enhancement New feature or request

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@bdeadman
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Is your feature request related to a problem? Please describe.
If an organisation has been using a very early version of the ORD to store their internal data, there may be challenges in updating the ord-schema to later versions.

Describe the solution you'd like
Some documentation to outline the process. Where version changes are found to change the ORM and how it functions, or deprecate certain fields or ENUMs then advice can be provided on how to migrate old data through the change.

@bdeadman bdeadman added the enhancement New feature or request label Jul 23, 2024
@bdeadman
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0.3.37 -> 0.3.38 ord_schema.orm.mappers overhauled to use programmatic ORM definitions instead of explicitly defined classes. After this change it is no longer possible to use:

from ord_schema.orm.mappers import Compound, CompoundIdentifier, Reaction, ReactionInput

@skearnes
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You need to change your imports to use the Mappers object: https://github.com/open-reaction-database/ord-schema/blob/main/ord_schema/orm/rdkit_mappers_test.py#L29

@bdeadman
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0.3.37 -> 0.3.38 NAME ReactionIdentifierType ENUM changed to REACTION_TYPE.

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