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bingo fix
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even1024 committed Oct 9, 2023
1 parent 5dc3c8c commit a1c1502
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2 changes: 1 addition & 1 deletion .github/workflows/indigo-ci.yaml
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Expand Up @@ -676,7 +676,7 @@ jobs:
python setup.py bdist_wheel
cp dist/*.whl ${GITHUB_WORKSPACE}/dist/
- name: Run pylint
run: pylint bingo_elastic
run: pylint --max-args 10 bingo_elastic
working-directory: bingo/bingo-elastic/python
- name: Run tests
run: pytest tests
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2 changes: 1 addition & 1 deletion bingo/tests/data/reactions/rsmiles/std.json
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Expand Up @@ -1447,7 +1447,7 @@
{
"query_id": 290,
"query_type": "rsmiles",
"expected": "[C:1]1([O:48][CH2:4]1)([C@@:3]1([H])[CH2:9][CH2:17][C@@:14]2([H])[C@:24]3([H])[CH2:27][CH:29]=[C:30]4[CH2:33][C@H:35]([CH2:34][CH2:31][C@:28]4([CH3:32])[C@@:26]3([H])[CH2:25][CH2:15][C@:8]12[CH3:16])[O:36][Si](C)(C)C(C)(C)C)[CH:2](OS(=O)(=O)C)[C:6]1([Si](C)(C)C)[O:49][CH2:10]1>>[C@:8]12([CH3:16])[CH2:15][CH2:25][C@:26]3([H])[C@@:28]4([CH3:32])[CH2:31][CH2:34][C@H:35]([OH:36])[CH2:33][C:30]4=[CH:29][CH2:27][C@@:24]3([H])[C@:14]1([H])[CH2:17][CH2:9][C@:3]2([H])[C:1]1=[CH:4][O:48][C:6]([CH2:10]F)=[CH:2]1.[C@:8]12([CH3:16])[CH2:15][CH2:25][C@:26]3([H])[C@@:28]4([CH3:32])[CH2:31][CH2:34][C@H:35]([OH:36])[CH2:33][C:30]4=[CH:29][CH2:27][C@@:24]3([H])[C@:14]1([H])[CH2:17][CH2:9][C@:3]2([H])[C:1]1=[CH:4][O:48][C:6]([CH2:10][OH:49])=[CH:2]1 |w:0,34,40,a:3,7,9,15,18,20,24,47,51,53,57,63,65,69,78,82,84,88,94,96,100|"
"expected": "[C@:1]1([O:48][CH2:4]1)([C@@:3]1([H])[CH2:9][CH2:17][C@@:14]2([H])[C@:24]3([H])[CH2:27][CH:29]=[C:30]4[CH2:33][C@H:35]([CH2:34][CH2:31][C@:28]4([CH3:32])[C@@:26]3([H])[CH2:25][CH2:15][C@:8]12[CH3:16])[O:36][Si](C)(C)C(C)(C)C)[CH:2](OS(=O)(=O)C)[C:6]1([Si](C)(C)C)[O:49][CH2:10]1>>[C@:8]12([CH3:16])[CH2:15][CH2:25][C@:26]3([H])[C@@:28]4([CH3:32])[CH2:31][CH2:34][C@H:35]([OH:36])[CH2:33][C:30]4=[CH:29][CH2:27][C@@:24]3([H])[C@:14]1([H])[CH2:17][CH2:9][C@:3]2([H])[C:1]1=[CH:4][O:48][C:6]([CH2:10]F)=[CH:2]1.[C@:8]12([CH3:16])[CH2:15][CH2:25][C@:26]3([H])[C@@:28]4([CH3:32])[CH2:31][CH2:34][C@H:35]([OH:36])[CH2:33][C:30]4=[CH:29][CH2:27][C@@:24]3([H])[C@:14]1([H])[CH2:17][CH2:9][C@:3]2([H])[C:1]1=[CH:4][O:48][C:6]([CH2:10][OH:49])=[CH:2]1 |a:0,3,7,9,15,18,20,24,47,51,53,57,63,65,69,78,82,84,88,94,96,100,w:34,40|"
},
{
"query_id": 291,
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1 change: 0 additions & 1 deletion bingo/tests/test_rsmiles/test_rsmiles.py
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@@ -1,7 +1,6 @@
import pytest

from ..helpers import assert_calculate_query, query_cases
from ..logger import logger

class TestRsmiles:
@pytest.mark.parametrize("query_id, expected", query_cases("rsmiles"))
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