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#1349 Symbol for topology chain is missing in SMARTS file
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Fix file formating
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AliaksandrDziarkach committed Oct 19, 2023
1 parent 30eecc1 commit f572073
Showing 1 changed file with 6 additions and 2 deletions.
8 changes: 6 additions & 2 deletions api/tests/integration/tests/formats/smarts.py
Original file line number Diff line number Diff line change
Expand Up @@ -168,5 +168,9 @@ def test_smarts_load_save_through_ket(smarts_in, expected_str):
"[C;@@]",
'"atoms":[{"label":"C","location":[0.0,0.0,0.0],"queryProperties":{"aromaticity":"aliphatic","chirality":"clockwise"}}]',
)
test_smarts_load_save_through_ket("[#6]-;@[#6]", '"bonds":[{"type":1,"topology":1,"atoms":[0,1]}]')
test_smarts_load_save_through_ket("[#6]-;!@[#6]", '"bonds":[{"type":1,"topology":2,"atoms":[0,1]}]')
test_smarts_load_save_through_ket(
"[#6]-;@[#6]", '"bonds":[{"type":1,"topology":1,"atoms":[0,1]}]'
)
test_smarts_load_save_through_ket(
"[#6]-;!@[#6]", '"bonds":[{"type":1,"topology":2,"atoms":[0,1]}]'
)

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