Using postgres rdkit 0.40.0 with all tests passing, and Postgres 9.1 on
Ubuntu.
Any ideas why this works:
select is_valid_smiles('CCCC');
While this does not:
select smiles, is_valid_smiles(smiles) from molecule;
ERROR: function is_valid_smiles(character varying) does not exist
LINE 1: select smiles, is_valid_smiles(smiles) from molecule;
^
HINT: No function matches the given name and argument types. You might
need to add explicit type casts.
\d+ molecule
Table "public.molecule"
Column | Type | Modifiers | Storage | Description
------------+-------------------------+-----------+----------+-------------
inhibox_id | character(6) | not null | extended |
smiles | character varying(1000) | not null | extended |
mol | mol | | extended |
Does the function not accept a varchar?
-
Jean-Paul Ebejer
Early Stage Researcher
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