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make the psql tests version insensitive
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greglandrum committed Oct 8, 2021
1 parent 5bf4757 commit fc5ed28
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Showing 2 changed files with 7 additions and 7 deletions.
10 changes: 5 additions & 5 deletions Code/PgSQL/rdkit/expected/json.out
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@@ -1,13 +1,13 @@
select regexp_replace(mol_to_json('CC'::mol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""');
select regexp_replace(mol_to_json('CC'::mol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""','g');
regexp_replace
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{"commonchem":{"version":10},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":""}]}]}
(1 row)

select regexp_replace(mol_to_json('C[O,N]'::qmol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""');
regexp_replace
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{"commonchem":{"version":10},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{},{"z":0}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":""},{"name":"rdkitQueries","formatVersion":10,"toolkitVersion":"2021.09.1pre","atomQueries":[{"descr":"AtomType","tag":33,"val":6},{"descr":"AtomOr","tag":31,"children":[{"descr":"AtomType","tag":33,"val":8},{"descr":"AtomType","tag":33,"val":7}]}],"bondQueries":[{"descr":"SingleOrAromaticBond","tag":33,"val":1}]}]}]}
select regexp_replace(mol_to_json('C[O,N]'::qmol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""','g');
regexp_replace
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{"commonchem":{"version":10},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{},{"z":0}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":""},{"name":"rdkitQueries","formatVersion":10,"toolkitVersion":"","atomQueries":[{"descr":"AtomType","tag":33,"val":6},{"descr":"AtomOr","tag":31,"children":[{"descr":"AtomType","tag":33,"val":8},{"descr":"AtomType","tag":33,"val":7}]}],"bondQueries":[{"descr":"SingleOrAromaticBond","tag":33,"val":1}]}]}]}
(1 row)

select mol_to_smiles(mol_from_json(mol_to_json('CC'::mol)));
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4 changes: 2 additions & 2 deletions Code/PgSQL/rdkit/sql/json.sql
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
select regexp_replace(mol_to_json('CC'::mol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""');
select regexp_replace(mol_to_json('C[O,N]'::qmol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""');
select regexp_replace(mol_to_json('CC'::mol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""','g');
select regexp_replace(mol_to_json('C[O,N]'::qmol)::text,'"toolkitVersion":".*?"','"toolkitVersion":""','g');
select mol_to_smiles(mol_from_json(mol_to_json('CC'::mol)));
select mol_to_smarts(mol_from_json(mol_to_json('C[O,N]'::qmol)));
select mol_to_smarts(qmol_from_json(mol_to_json('C[O,N]'::qmol)));

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