#1277 SMILES with bad stereochemistry is not parsed #2939
34148 tests run, 34146 passed, 0 skipped, 2 failed.
Annotations
Check failure on line 1 in TestCml
github-actions / bingo_postgres_12_test_report
TestCml.test_cml[745-<?xml version="1.0" encoding="UTF-8"?><cml><molecule title="MOL_745"><atomArray><atom id="a0" elementType="C" x2="-2.6269" y2="1.78"/><atom id="a1" elementType="O" x2="-4.0603" y2="2.5956"/><atom id="a2" elementType="C" x2="-2.4409" y2="0.5646"><atomParity atomRefs4="a0 a3 a4 a5">1</atomParity></atom><atom id="a3" elementType="N" x2="-1.4093" y2="-0.7759"><atomParity atomRefs4="a2 a6 a7 a3">1</atomParity></atom><atom id="a4" elementType="C" x2="-3.4707" y2="-0.151"/><atom id="a5" elementType="C" x2="-1.4397" y2="1.3128"/><atom id="a6" elementType="C" x2="0.0892" y2="-0.25"><atomParity atomRefs4="a-1 a-1 a-1 a6">1</atomParity></atom><atom id="a7" elementType="C" x2="-2.2525" y2="-2.1233"><atomParity atomRefs4="a-1 a-1 a-1 a7">1</atomParity></atom><atom id="a8" elementType="O" x2="-3.9708" y2="-1.4344"/><atom id="a9" elementType="O" x2="-0.0083" y2="1.2801"/><atom id="a10" elementType="C" x2="1.0744" y2="-1.1242"/><atom id="a11" elementType="C" x2="-1.8437" y2="-3.47"/><atom id="a12" elemen
AssertionError
Raw output
E AssertionError
Check failure on line 1 in TestRsmiles
github-actions / bingo_postgres_12_test_report
TestRsmiles.test_molecular_weight[290-[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|]
AssertionError
Raw output
E AssertionError