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Add foreign keys to rdkit tables #702

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merged 3 commits into from
Sep 20, 2023

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skearnes
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@skearnes skearnes commented Sep 16, 2023

Add foreign keys to rdkit tables so that they can be joined directly instead of having to go through SMILES.

@skearnes skearnes marked this pull request as ready for review September 16, 2023 16:47
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codecov bot commented Sep 16, 2023

Codecov Report

Merging #702 (5570357) into main (4961279) will increase coverage by 0.27%.
Report is 5 commits behind head on main.
The diff coverage is 86.95%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #702      +/-   ##
==========================================
+ Coverage   69.33%   69.60%   +0.27%     
==========================================
  Files          23       23              
  Lines        2322     2356      +34     
  Branches      589      594       +5     
==========================================
+ Hits         1610     1640      +30     
- Misses        598      601       +3     
- Partials      114      115       +1     
Files Changed Coverage Δ
ord_schema/orm/scripts/add_datasets.py 47.16% <25.00%> (-1.85%) ⬇️
ord_schema/orm/conftest.py 96.29% <90.00%> (+0.46%) ⬆️
ord_schema/orm/database.py 92.78% <91.66%> (-0.46%) ⬇️
ord_schema/orm/mappers.py 96.96% <100.00%> (+0.07%) ⬆️
ord_schema/orm/rdkit_mappers.py 91.46% <100.00%> (ø)
ord_schema/templating.py 95.31% <100.00%> (+0.15%) ⬆️

@skearnes skearnes merged commit 79dd709 into open-reaction-database:main Sep 20, 2023
10 checks passed
@skearnes skearnes deleted the rdkit-ids branch September 20, 2023 20:42
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2 participants