#2389 Preview: Margin is not correct for reaction with plus when rea…
GitHub Actions / ubuntu-latest-x86_64-python_test_report
failed
Sep 19, 2024 in 0s
275 tests run, 272 passed, 0 skipped, 3 failed.
Annotations
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-python_test_report
formats.rxn_no_layout
[FAILED]
Raw output
Diff:
- 10.201734,
+ 10.901733,
- 21.603466,
+ 23.703466,
- 26.603466,
+ 30.103464,
- 31.603462,
+ 36.503464,
- 38.203495,
+ 44.503498,
- 57.809509,
+ 65.509514,
- "x": 45.003529,
+ "x": 52.003532,
- "x": 47.003525,
+ "x": 54.003529,
- 15.105515,
+ 16.505514,
- 17.503433,
+ 18.903433,
- 16.706617,
+ 18.106617,
- 16.702883,
+ 18.102882,
- 14.301766,
+ 15.701766,
- 15.109784,
+ 16.509785,
- 14.3055,
+ 15.7055,
- 14.315102,
+ 15.715101,
- 12.701734,
+ 14.101733,
- 19.103468,
+ 20.503468,
- 24.103466,
+ 26.903465,
- 29.103464,
+ 33.303463,
- 34.103462,
+ 39.703465,
- 35.703495,
+ 41.303497,
- 40.703495,
+ 47.703499,
- 0.0,
+ 0.0,
- 0.0
+ 0.0
- ]
+ ]
- },
+ },
- {
+ {
- "label": "O",
+ "label": "O",
- "location": [
+ "location": [
- 42.303528,
+ 49.303532,
- 52.911591,
+ 59.911594,
- 55.309509,
+ 62.309513,
- 54.512691,
+ 61.512695,
- 54.508961,
+ 61.508965,
- 52.107845,
+ 59.107849,
- 52.915859,
+ 59.915863,
- 52.121181,
+ 59.121185,
- 50.507809,
+ 57.507812,
- 49.703526,
+ 56.703529,
- 49.711525,
+ 56.711529,
- 52.111576,
+ 59.11158,
- 63.517574,
+ 71.91758,
- 65.915497,
+ 74.315506,
- 65.118675,
+ 73.518684,
- 65.114944,
+ 73.514954,
- 62.713829,
+ 71.113838,
- 63.521843,
+ 71.921852,
- 62.727165,
+ 71.127174,
- 61.113792,
+ 69.513802,
- 60.309509,
+ 68.709518,
- 60.317509,
+ 68.717514,
- 62.71756,
+ 71.117569,
Check failure on line 1 in api/c/tests/unit/tests/layout.cpp
github-actions / ubuntu-latest-x86_64-python_test_report
layout.reaction_layout_and_clean2d
[FAILED]
Raw output
Diff:
- Molecule #1: Success
+ Molecule #1: Error: atom #0 (C) contains delta 0.5999860763550279 > 0.001
- Molecule #2: Success
+ atom #1 (C) contains delta 0.6000452041626007 > 0.001
- Molecule #3: Success
+ atom #2 (C) contains delta 0.6000452041626243 > 0.001
+ atom #3 (C) contains delta 0.5999860763550279 > 0.001
+ atom #4 (C) contains delta 0.6000261306762725 > 0.001
+ atom #5 (C) contains delta 0.6000261306762962 > 0.001
+ Molecule #2: Error: atom #0 (C) contains delta 0.6000251770021671 > 0.001
+ atom #1 (C) contains delta 0.5999660491943478 > 0.001
+ atom #2 (C) contains delta 0.6000080108642586 > 0.001
+ atom #3 (C) contains delta 0.6000480651855588 > 0.001
+ atom #4 (C) contains delta 0.5999889373779482 > 0.001
+ atom #5 (P) contains delta 0.6000289916992306 > 0.001
+ atom #6 (C) contains delta 0.6000080108642697 > 0.001
+ Molecule #3: Error: atom #0 (C) contains delta 1.2000236511230469 > 0.001
+ atom #1 (C) contains delta 1.2000236518196552 > 0.001
+ atom #2 (C) contains delta 1.2000274665169186 > 0.001
+ atom #3 (C) contains delta 1.2000274658203125 > 0.001
+ atom #4 (C) contains delta 1.2000274665169186 > 0.001
+ atom #5 (C) contains delta 1.2000236518196552 > 0.001
+ atom #6 (O) contains delta 1.2000236511230469 > 0.001
Check failure on line 1 in api/c/tests/unit/tests/layout.cpp
github-actions / ubuntu-latest-x86_64-python_test_report
layout.smiles_layout
[FAILED]
Raw output
Diff:
- 932-agents.ket:SUCCEED
+ 932-agents.ket:FAILED
+ ---
+ +++
+ @@ -43,7 +43,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 4.1,
+ + 4.4,
+ 0.0,
+ 0.0
+ ]
+ @@ -51,7 +51,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 7.5,
+ + 8.400002,
+ 0.0,
+ 0.0
+ ]
+ @@ -59,7 +59,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 40.442543,
+ + 41.942543,
+ 0.0,
+ 0.0
+ ]
+ @@ -67,7 +67,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 47.705284,
+ + 49.805283,
+ 0.0,
+ 0.0
+ ]
+ @@ -78,12 +78,12 @@
+ "mode": "open-angle",
+ "pos": [
+ {
+ - "x": 12.400001,
+ + "x": 13.600001,
+ "y": 0.0,
+ "z": 0.0
+ },
+ {
+ - "x": 37.142548,
+ + "x": 38.342548,
+ "y": 0.0,
+ "z": 0.0
+ }
+ @@ -150,7 +150,7 @@
+ {
+ "label": "S",
+ "location": [
+ - 5.8,
+ + 6.400001,
+ 0.0,
+ 0.0
+ ]
+ @@ -164,7 +164,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 9.200001,
+ + 10.400002,
+ 0.8,
+ 0.0
+ ]
+ @@ -172,7 +172,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 10.8,
+ + 12.000001,
+ 0.8,
+ 0.0
+ ]
+ @@ -180,7 +180,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 10.8,
+ + 12.000001,
+ -0.8,
+ 0.0
+ ]
+ @@ -188,7 +188,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 9.200001,
+ + 10.400002,
+ -0.8,
+ 0.0
+ ]
+ @@ -231,7 +231,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 14.000001,
+ + 15.200002,
+ 2.69282,
+ 0.0
+ ]
+ @@ -239,7 +239,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 15.385641,
+ + 16.585642,
+ 1.89282,
+ 0.0
+ ]
+ @@ -247,7 +247,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 16.771282,
+ + 17.971283,
+ 2.69282,
+ 0.0
+ ]
+ @@ -276,7 +276,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 19.17128,
+ + 20.371281,
+ 2.29282,
+ 0.0
+ ]
+ @@ -290,7 +290,7 @@
+ {
+ "label": "P",
+ "location": [
+ - 21.571278,
+ + 22.771278,
+ 2.29282,
+ 0.0
+ ]
+ @@ -304,7 +304,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 23.971275,
+ + 25.171276,
+ 2.69282,
+ 0.0
+ ]
+ @@ -312,7 +312,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 25.356916,
+ + 26.556917,
+ 1.89282,
+ 0.0
+ ]
+ @@ -320,7 +320,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 26.742556,
+ + 27.942556,
+ 2.69282,
+ 0.0
+ ]
+ @@ -349,7 +349,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 29.142553,
+ + 30.342554,
+ 2.985641,
+ 0.0
+ ]
+ @@ -357,7 +357,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 30.742554,
+ + 31.942554,
+ 2.985641,
+ 0.0
+ ]
+ @@ -365,7 +365,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 29.942553,
+ + 31.142553,
+ 1.6,
+ 0.0
+ ]
+ @@ -401,7 +401,7 @@
+ {
+ "label": "F",
+ "location": [
+ - 33.142551,
+ + 34.342552,
+ 2.29282,
+ 0.0
+ ]
+ @@ -415,7 +415,7 @@
+ {
+ "label": "I",
+ "location": [
+ - 35.542549,
+ + 36.74255,
+ 2.29282,
+ 0.0
+ ]
+ @@ -429,7 +429,7 @@
+ {
+ "label": "S",
+ "location": [
+ - 38.742546,
+ + 39.942547,
+ 0.0,
+ 0.0
+ ]
+ @@ -443,7 +443,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 44.873913,
+ + 46.673912,
+ 1.931371,
+ 0.0
+ ]
+ @@ -451,7 +451,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 43.273914,
+ + 45.073914,
+ 1.931371,
+ 0.0
+ ]
+ @@ -459,7 +459,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 42.142544,
+ + 43.942543,
+ 0.8,
+ 0.0
+ ]
+ @@ -467,7 +467,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 42.142544,
+ + 43.942543,
+ -0.8,
+ 0.0
+ ]
+ @@ -475,7 +475,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 43.273914,
+ + 45.073914,
+ -1.931371,
+ 0.0
+ ]
+ @@ -483,7 +483,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 44.873913,
+ + 46.673912,
+ -1.931371,
+ 0.0
+ ]
+ @@ -491,7 +491,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 46.005287,
+ + 47.805283,
+ -0.8,
+ 0.0
+ ]
+ @@ -499,7 +499,7 @@
+ {
+ "label": "C",
+ "location": [
+ - 46.005283,
+ + 47.805283,
+ 0.8,
+ 0.0
+ ]
+ @@ -570,7 +570,7 @@
+ {
+ "label": "O",
+ "location": [
+ - 49.405285,
+ + 51.805279,
+ 0.0,
+ 0.0
+ ]
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