MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.
https://molssi.github.io/QCFractal/
BSD 3-Clause "New" or "Revised" License
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Add unique indices for base_result and molecule #663

Closed bennybp closed 3 years ago

bennybp commented 3 years ago

Description

Adds unique indices to help with deleting orphaned kv_store. This is needed since deleting something from kv_store will require postgres checking base_result to make sure the entry is not being referenced. This takes multiple seconds per KVStore record, which is not acceptable when trying to clean up several million.

In addition, this makes molecule hashes unique

Changelog description

Add unique indices to base_result for kv_store foreign keys, and makes molecule hash unique.

Status

codecov[bot] commented 3 years ago

Codecov Report

Merging #663 (aa46d27) into master (8d9524b) will decrease coverage by 1.71%. The diff coverage is 100.00%.