#1277 SMILES with bad stereochemistry is not parsed #2899
GitHub Actions / macos-x86_64-dotnet_test_report
failed
Oct 3, 2023 in 0s
249 tests run, 247 passed, 0 skipped, 2 failed.
Annotations
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-x86_64-dotnet_test_report
formats.mol_to_ket
[FAILED]
Raw output
Diff:
- atropisomer.ket:FAILED
+ atropisomer.ket:SUCCEED
- ---
- +++
- @@ -55,7 +55,8 @@
- 26.818199157714845,
- -12.862500190734864,
- 0.0
- - ]
- + ],
- + "stereoLabel": "or1"
- },
- {
- "label": "C",
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-x86_64-dotnet_test_report
formats.sdf_to_ket
[FAILED]
Raw output
Diff:
- acd2d_err.ket:FAILED
+ acd2d_err.ket:SUCCEED
- ---
- +++
- @@ -14882,7 +14882,8 @@
- 6.409999847412109,
- 2.190000057220459,
- 0.0
- - ]
- + ],
- + "stereoLabel": "abs"
- },
- {
- "label": "C",
- @@ -30957,7 +30958,8 @@
- 2.975600004196167,
- -2.3452000617980959,
- 0.0
- - ]
- + ],
- + "stereoLabel": "abs"
- },
- {
- "label": "C",
- @@ -38277,7 +38279,8 @@
- 4.26639986038208,
- -1.8983999490737916,
- 0.0
- - ]
- + ],
- + "stereoLabel": "abs"
- },
- {
- "label": "C",
- @@ -38832,7 +38835,8 @@
- 8.11620044708252,
- -2.767199993133545,
- 0.0
- - ]
- + ],
- + "stereoLabel": "abs"
- },
- {
- "label": "C",
- @@ -52305,7 +52309,8 @@
- 2.358599901199341,
- -0.25519999861717226,
- 0.0
- - ]
- + ],
- + "stereoLabel": "abs"
- },
- {
- "label": "O",
- @@ -54266,7 +54271,8 @@
- 0.03449999913573265,
- 1.1758999824523926,
- 0.0
- - ]
- + ],
- + "stereoLabel": "&1"
- },
- {
- "label": "C",
- @@ -78531,7 +78537,8 @@
- 3.516700029373169,
- -1.7541999816894532,
- 0.0
- - ]
- + ],
- + "stereoLabel": "&1"
- },
- {
- "label": "C",
- @@ -78564,7 +78571,8 @@
- 2.575000047683716,
- -5.112500190734863,
- 0.0
- - ]
- + ],
- + "stereoLabel": "&1"
- },
- {
- "label": "C",
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