From a1c1502f48f9edf4cb217a53ea4de52e00a33ac4 Mon Sep 17 00:00:00 2001 From: Roman Porozhnetov Date: Mon, 9 Oct 2023 10:36:37 +0200 Subject: [PATCH] bingo fix --- .github/workflows/indigo-ci.yaml | 2 +- bingo/tests/data/reactions/rsmiles/std.json | 2 +- bingo/tests/test_rsmiles/test_rsmiles.py | 1 - 3 files changed, 2 insertions(+), 3 deletions(-) diff --git a/.github/workflows/indigo-ci.yaml b/.github/workflows/indigo-ci.yaml index 4a7a05e49b..a3a13af246 100644 --- a/.github/workflows/indigo-ci.yaml +++ b/.github/workflows/indigo-ci.yaml @@ -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 diff --git a/bingo/tests/data/reactions/rsmiles/std.json b/bingo/tests/data/reactions/rsmiles/std.json index df1ee6bb33..d2014162c3 100644 --- a/bingo/tests/data/reactions/rsmiles/std.json +++ b/bingo/tests/data/reactions/rsmiles/std.json @@ -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, diff --git a/bingo/tests/test_rsmiles/test_rsmiles.py b/bingo/tests/test_rsmiles/test_rsmiles.py index e3989f50bc..2d98f7639d 100644 --- a/bingo/tests/test_rsmiles/test_rsmiles.py +++ b/bingo/tests/test_rsmiles/test_rsmiles.py @@ -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"))