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adjustments to two tests (#18)
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The previous CIDs being matched in the test do not exist in the PubChem database. Consequently, when testing on the PubChem website directly instead of using the BrokenRecord files, the tests were failing. With this change tests do not fail anymore, as I replaced the erroneous CID with one that exists in PubChem.
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fchichorro authored Aug 30, 2024
1 parent f644e4f commit c10a088
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions test/runtests.jl
Original file line number Diff line number Diff line change
Expand Up @@ -46,11 +46,11 @@ BrokenRecord.configure!(; path="http_record")
@test 27125 df.CID # check that estetrol has estriol as a substructure
sleep(2.0 * get_recordings)
df13 = CSV.File(playback(() -> query_substructure(;smarts="[r13]Br", output="CSV"), "smarts.bson")) |> DataFrame # brominated 13-atom ring structures
@test 153064026 df13.CID
@test 118303825 df13.CID
# The recommended approach for substructure searches is `query_substructure_pug`
sleep(5.0 * get_recordings)
cids13 = playback(() -> query_substructure_pug(;smarts="[r13]Br", poll_interval=10*get_recordings), "smarts_pug.bson") # brominated 13-atom ring structures, via PUG interface
@test 153064026 cids13
@test 118303825 cids13

# properties
sleep(5.0 * get_recordings)
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