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When using the Postgres cartridge, if you try to compare two reaction values, you get an error:
SQL Error [42883]: ERROR: could not identify an equality operator for type reaction SQL Error [42883]: ERROR: operator is only a shell: reaction = reaction
SELECT CASE WHEN reaction_from_smiles('CC>>CC') = reaction_from_smiles('CC>>CC') THEN 1 ELSE 0 END
Expected behavior
It would be helpful to be able to compare equality of two reactions. This would facilitate all kinds of queries in the database which are not currently possible.
Configuration (please complete the following information):
RDKit version: 2023.09.4
OS: Postgres 16.2
The text was updated successfully, but these errors were encountered:
Describe the bug
When using the Postgres cartridge, if you try to compare two
reaction
values, you get an error:SQL Error [42883]: ERROR: could not identify an equality operator for type reaction
SQL Error [42883]: ERROR: operator is only a shell: reaction = reaction
To Reproduce
Two examples to reproduce the issue:
Expected behavior
It would be helpful to be able to compare equality of two reactions. This would facilitate all kinds of queries in the database which are not currently possible.
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered: