add atom label margin
GitHub Actions / ubuntu-latest-x86_64-dotnet_test_report
failed
Sep 12, 2024 in 0s
274 tests run, 257 passed, 0 skipped, 17 failed.
Annotations
Check failure on line 1 in api/tests/integration/tests/basic/molecules/arom.sdf
github-actions / ubuntu-latest-x86_64-dotnet_test_report
arom.basic
[FAILED]
Raw output
Diff:
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Check failure on line 1 in api/c/tests/unit/tests/basic.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
basic.allenes
[FAILED]
Raw output
Diff:
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Check failure on line 1 in api/c/tests/unit/tests/basic.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
basic.attachment_points
[FAILED]
Raw output
Diff:
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+ 4.4341 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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Check failure on line 1 in api/c/tests/unit/tests/basic.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
basic.ketfile_stereo_desc
[FAILED]
Raw output
Diff:
- crazystereo.rxn:SUCCEED
+ crazystereo.rxn:FAILED
+ ---
+ +++
+ @@ -13,12 +13,12 @@
+ "mode": "open-angle",
+ "pos": [
+ {
+ - "x": 4.164198398590088,
+ + "x": 9.542717933654786,
+ "y": 0.0,
+ "z": 0.0
+ },
+ {
+ - "x": 4.7641987800598148,
+ + "x": 11.542718887329102,
+ "y": 0.0,
+ "z": 0.0
+ }
+ @@ -33,80 +33,80 @@
+ {
+ "label": "C",
+ "location": [
+ - 1.7320992946624756,
+ - 0.49999362230300906,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 0.8660491108894348,
+ - 0.9999874234199524,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
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Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.fasta_to_ket
[FAILED]
Raw output
Diff:
- test_peptide.ket:SUCCEED
+ test_peptide.ket:FAILED
- test_rna.ket:SUCCEED
+ ---
- test_dna.ket:SUCCEED
- multiseq.ket:SUCCEED
+ +++
- break_peptide.ket:SUCCEED
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+ @@ -9789,7 +9789,7 @@
+ "id": "248",
+ "seqid": 249,
+ "position": {
+ - "x": 248.000000,
+ + "x": 396.800018,
+ "y": -0.000000
+ },
+ "alias": "N",
+ @@ -9800,7 +9800,7 @@
+ "id": "249",
+ "seqid": 250,
+ "position": {
+ - "x": 249.000000,
+ + "x": 398.399994,
+ "y": -0.000000
+ },
+ "alias": "S",
+ @@ -9811,7 +9811,7 @@
+ "id": "250",
+ "seqid": 251,
+ "position": {
+ - "x": 250.000000,
+ + "x": 400.000000,
+ "y": -0.000000
+ },
+ "alias": "Q",
+ @@ -9822,7 +9822,7 @@
+ "id": "251",
+ "seqid": 252,
+ "position": {
+ - "x": 251.000000,
+ + "x": 401.600006,
+ "y": -0.000000
+ },
+ "alias": "F",
+ @@ -9833,7 +9833,7 @@
+ "id": "252",
+ "seqid": 253,
+ "position": {
+ - "x": 252.000000,
+ + "x": 403.200012,
+ "y": -0.000000
+ },
+ "alias": "Y",
+ @@ -9844,7 +9844,7 @@
+ "id": "253",
+ "seqid": 254,
+ "position": {
+ - "x": 253.000000,
+ + "x": 404.800018,
+ "y": -0.000000
+ },
+ "alias": "E",
+ @@ -9855,7 +9855,7 @@
+ "id": "254",
+ "seqid": 255,
+ "position": {
+ - "x": 254.000000,
+ + "x": 406.399994,
+ "y": -0.000000
+ },
+ "alias": "L",
+ @@ -9866,7 +9866,7 @@
+ "id": "255",
+ "seqid": 256,
+ "position": {
+ - "x": 255.000000,
+ + "x": 408.000000,
+ "y": -0.000000
+ },
+ "alias": "M",
+ @@ -9877,7 +9877,7 @@
+ "id": "256",
+ "seqid": 257,
+ "position": {
+ - "x": 256.000000,
+ + "x": 409.600006,
+ "y": -0.000000
+ },
+ "alias": "A",
+ @@ -9888,7 +9888,7 @@
+ "id": "257",
+ "seqid": 258,
+ "position": {
+ - "x": 257.000000,
+ + "x": 411.200012,
+ "y": -0.000000
+ },
+ "alias": "D",
+ @@ -9899,7 +9899,7 @@
+ "id": "258",
+ "seqid": 259,
+ "position": {
+ - "x": 258.000000,
+ + "x": 412.800018,
+ "y": -0.000000
+ },
+ "alias": "A",
+ @@ -9910,7 +9910,7 @@
+ "id": "259",
+ "seqid": 260,
+ "position": {
+ - "x": 259.000000,
+ + "x": 414.399994,
+ "y": -0.000000
+ },
+ "alias": "L",
+ @@ -9921,7 +9921,7 @@
+ "id": "260",
+ "seqid": 261,
+ "position": {
+ - "x": 260.000000,
+ + "x": 416.000000,
+ "y": -0.000000
+ },
+ "alias": "E",
+ @@ -9932,7 +9932,7 @@
+ "id": "261",
+ "seqid": 262,
+ "position": {
+ - "x": 261.000000,
+ + "x": 417.600006,
+ "y": -0.000000
+ },
+ "alias": "T",
+ @@ -9943,7 +9943,7 @@
+ "id": "262",
+ "seqid": 263,
+ "position": {
+ - "x": 262.000000,
+ + "x": 419.200012,
+ "y": -0.000000
+ },
+ "alias": "Q",
+ @@ -9954,7 +9954,7 @@
+ "id": "263",
+ "seqid": 264,
+ "position": {
+ - "x": 263.000000,
+ + "x": 420.800018,
+ "y": -0.000000
+ },
+ "alias": "G",
+ @@ -9965,7 +9965,7 @@
+ "id": "264",
+ "seqid": 265,
+ "position": {
+ - "x": 264.000000,
+ + "x": 422.399994,
+ "y": -0.000000
+ },
+ "alias": "N",
+ @@ -9976,7 +9976,7 @@
+ "id": "265",
+ "seqid": 266,
+ "position": {
+ - "x": 265.000000,
+ + "x": 424.000000,
+ "y": -0.000000
+ },
+ "alias": "S",
+ @@ -9987,7 +9987,7 @@
+ "id": "266",
+ "seqid": 267,
+ "position": {
+ - "x": 266.000000,
+ + "x": 425.600006,
+ "y": -0.000000
+ },
+ "alias": "D",
+ @@ -9998,7 +9998,7 @@
+ "id": "267",
+ "seqid": 268,
+ "position": {
+ - "x": 267.000000,
+ + "x": 427.200012,
+ "y": -0.000000
+ },
+ "alias": "K",
+ @@ -10009,7 +10009,7 @@
+ "id": "268",
+ "seqid": 269,
+ "position": {
+ - "x": 268.000000,
+ + "x": 428.800018,
+ "y": -0.000000
+ },
+ "alias": "K",
+ @@ -10020,7 +10020,7 @@
+ "id": "269",
+ "seqid": 270,
+ "position": {
+ - "x": 269.000000,
+ + "x": 430.399994,
+ "y": -0.000000
+ },
+ "alias": "S",
+ @@ -10031,7 +10031,7 @@
+ "id": "270",
+ "seqid": 271,
+ "position": {
+ - "x": 270.000000,
+ + "x": 432.000000,
+ "y": -0.000000
+ },
+ "alias": "S",
+ @@ -10042,7 +10042,7 @@
+ "id": "271",
+ "seqid": 272,
+ "position": {
+ - "x": 271.000000,
+ + "x": 433.600006,
+ "y": -0.000000
+ },
+ "alias": "A",
+ @@ -10053,7 +10053,7 @@
+ "id": "272",
+ "seqid": 273,
+ "position": {
+ - "x": 272.000000,
+ + "x": 435.200012,
+ "y": -0.000000
+ },
+ "alias": "K",
+ @@ -10064,7 +10064,7 @@
+ "id": "273",
+ "seqid": 274,
+ "position": {
+ - "x": 273.000000,
+ + "x": 436.800018,
+ "y": -0.000000
+ },
+ "alias": "D",
+ @@ -10075,7 +10075,7 @@
+ "id": "274",
+ "seqid": 275,
+ "position": {
+ - "x": 274.000000,
+ + "x": 438.399994,
+ "y": -0.000000
+ },
+ "alias": "E",
+ @@ -10086,7 +10086,7 @@
+ "id": "275",
+ "seqid": 276,
+ "position": {
+ - "x": 275.000000,
+ + "x": 440.000000,
+ "y": -0.000000
+ },
+ "alias": "V",
+ @@ -10097,7 +10097,7 @@
+ "id": "276",
+ "seqid": 277,
+ "position": {
+ - "x": 276.000000,
+ + "x": 441.600006,
+ "y": -0.000000
+ },
+ "alias": "L",
+ @@ -10108,7 +10108,7 @@
+ "id": "277",
+ "seqid": 278,
+ "position": {
+ - "x": 277.000000,
+ + "x": 443.200012,
+ "y": -0.000000
+ },
+ "alias": "N",
+ @@ -10119,7 +10119,7 @@
+ "id": "278",
+ "seqid": 279,
+ "position": {
+ - "x": 278.000000,
+ + "x": 444.800018,
+ "y": -0.000000
+ },
+ "alias": "K",
+ @@ -10130,7 +10130,7 @@
+ "id": "279",
+ "seqid": 280,
+ "position": {
+ - "x": 279.000000,
+ + "x": 446.399994,
+ "y": -0.000000
+ },
+ "alias": "F",
+ @@ -10141,7 +10141,7 @@
+ "id": "280",
+ "seqid": 281,
+ "position": {
+ - "x": 280.000000,
+ + "x": 448.000000,
+ "y": -0.000000
+ },
+ "alias": "E",
+ @@ -10152,7 +10152,7 @@
+ "id": "281",
+ "seqid": 282,
+ "position": {
+ - "x": 281.000000,
+ + "x": 449.600006,
+ "y": -0.000000
+ },
+ "alias": "E",
+ @@ -10163,7 +10163,7 @@
+ "id": "282",
+ "seqid": 283,
+ "position": {
+ - "x": 282.000000,
+ + "x": 451.200012,
+ "y": -0.000000
+ },
+ "alias": "F",
+ @@ -10174,7 +10174,7 @@
+ "id": "283",
+ "seqid": 284,
+ "position": {
+ - "x": 283.000000,
+ + "x": 452.800018,
+ "y": -0.000000
+ },
+ "alias": "M",
+ @@ -10185,7 +10185,7 @@
+ "id": "284",
+ "seqid": 285,
+ "position": {
+ - "x": 284.000000,
+ + "x": 454.399994,
+ "y": -0.000000
+ },
+ "alias": "D",
+ @@ -10196,7 +10196,7 @@
+ "id": "285",
+ "seqid": 286,
+ "position": {
+ - "x
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.helm_to_ket
[FAILED]
Raw output
Diff:
- aminoacids_variants.ket:SUCCEED
+ aminoacids_variants.ket:FAILED
- helm_annotations.ket:SUCCEED
+ ---
- helm_chem_peptide.ket:SUCCEED
- helm_chem_rna.ket:SUCCEED
+ +++
- helm_mixed_base.ket:SUCCEED
- helm_mixed_custom.ket:SUCCEED
+ @@ -145,7 +145,7 @@
- helm_multi_char_rna.ket:SUCCEED
- helm_peptide.ket:SUCCEED
+ "type": "ambiguousMonomer",
- helm_rna_without_base.ket:SUCCEED
+ "id": "1",
- helm_simple_rna.ket:SUCCEED
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "seqid": 2,
+ @@ -156,7 +156,7 @@
+ "type": "ambiguousMonomer",
+ "id": "2",
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "seqid": 3,
+ @@ -167,7 +167,7 @@
+ "type": "ambiguousMonomer",
+ "id": "3",
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "seqid": 4,
+ helm_annotations.ket:FAILED
+ ---
+ +++
+ @@ -149,7 +149,7 @@
+ "seqid": 1,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "hxy",
+ "templateId": "hxy___Hexynyl alcohol"
+ @@ -160,7 +160,7 @@
+ "seqid": 2,
+ "position": {
+ "x": 0.000000,
+ - "y": -2.000000
+ + "y": -3.200000
+ },
+ "alias": "R",
+ "templateId": "R___Ribose"
+ @@ -171,7 +171,7 @@
+ "seqid": 3,
+ "position": {
+ "x": 0.000000,
+ - "y": -3.000000
+ + "y": -4.800000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -181,8 +181,8 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 1.000000,
+ - "y": -2.000000
+ + "x": 1.600000,
+ + "y": -3.200000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -192,8 +192,8 @@
+ "id": "4",
+ "seqid": 5,
+ "position": {
+ - "x": 2.000000,
+ - "y": -2.000000
+ + "x": 3.200000,
+ + "y": -3.200000
+ },
+ "alias": "R",
+ "templateId": "R___Ribose"
+ @@ -203,8 +203,8 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 2.000000,
+ - "y": -3.000000
+ + "x": 3.200000,
+ + "y": -4.800000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -214,8 +214,8 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 3.000000,
+ - "y": -2.000000
+ + "x": 4.800000,
+ + "y": -3.200000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -225,8 +225,8 @@
+ "id": "7",
+ "seqid": 8,
+ "position": {
+ - "x": 4.000000,
+ - "y": -2.000000
+ + "x": 6.400000,
+ + "y": -3.200000
+ },
+ "alias": "R",
+ "templateId": "R___Ribose"
+ @@ -236,8 +236,8 @@
+ "id": "8",
+ "seqid": 9,
+ "position": {
+ - "x": 4.000000,
+ - "y": -3.000000
+ + "x": 6.400000,
+ + "y": -4.800000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -247,8 +247,8 @@
+ "id": "9",
+ "seqid": 10,
+ "position": {
+ - "x": 5.000000,
+ - "y": -2.000000
+ + "x": 8.000000,
+ + "y": -3.200000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ helm_chem_peptide.ket:FAILED
+ ---
+ +++
+ @@ -239,7 +239,7 @@
+ "seqid": 2,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "W",
+ "templateId": "W___Tryptophan"
+ @@ -249,8 +249,8 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 1.000000,
+ - "y": -1.000000
+ + "x": 1.600000,
+ + "y": -1.600000
+ },
+ "alias": "N",
+ "templateId": "N___Asparagine"
+ @@ -260,8 +260,8 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "D",
+ "templateId": "D___Aspartic acid"
+ @@ -271,8 +271,8 @@
+ "id": "4",
+ "seqid": 5,
+ "position": {
+ - "x": 3.000000,
+ - "y": -1.000000
+ + "x": 4.800000,
+ + "y": -1.600000
+ },
+ "alias": "Pen",
+ "templateId": "Pen___penicillamine (3-mercaptovaline)"
+ @@ -282,8 +282,8 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Glycine"
+ @@ -293,8 +293,8 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 5.000000,
+ - "y": -1.000000
+ + "x": 8.000000,
+ + "y": -1.600000
+ },
+ "alias": "Orn",
+ "templateId": "Orn___L-ornithine"
+ @@ -304,8 +304,8 @@
+ "id": "7",
+ "seqid": 8,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "D",
+ "templateId": "D___Aspartic acid"
+ @@ -315,8 +315,8 @@
+ "id": "8",
+ "seqid": 9,
+ "position": {
+ - "x": 7.000000,
+ - "y": -1.000000
+ + "x": 11.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Alanine"
+ @@ -326,8 +326,8 @@
+ "id": "9",
+ "seqid": 10,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "D",
+ "templateId": "D___Aspartic acid"
+ @@ -337,8 +337,8 @@
+ "id": "10",
+ "seqid": 11,
+ "position": {
+ - "x": 9.000000,
+ - "y": -1.000000
+ + "x": 14.400001,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Glycine"
+ @@ -348,8 +348,8 @@
+ "id": "11",
+ "seqid": 12,
+ "position": {
+ - "x": 10.000000,
+ - "y": -1.000000
+ + "x": 16.000000,
+ + "y": -1.600000
+ },
+ "alias": "S",
+ "templateId": "S___Serine"
+ @@ -359,8 +359,8 @@
+ "id": "12",
+ "seqid": 13,
+ "position": {
+ - "x": 11.000000,
+ - "y": -1.000000
+ + "x": 17.600000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Glycine"
+ @@ -370,8 +370,8 @@
+ "id": "13",
+ "seqid": 14,
+ "position": {
+ - "x": 12.000000,
+ - "y": -1.000000
+ + "x": 19.200001,
+ + "y": -1.600000
+ },
+ "alias": "Cap",
+ "templateId": "Cap___gamma-amino-beta-hydroxycyclohexanepentanoic acid"
+ helm_chem_rna.ket:FAILED
+ ---
+ +++
+ @@ -81,7 +81,7 @@
+ "seqid": 2,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "R",
+ "templateId": "R___Ribose"
+ @@ -92,7 +92,7 @@
+ "seqid": 3,
+ "position": {
+ "x": 0.000000,
+ - "y": -2.000000
+ + "y": -3.200000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -102,8 +102,8 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 1.000000,
+ - "y": -1.000000
+ + "x": 1.600000,
+ + "y": -1.600000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ helm_mixed_base.ket:FAILED
+ ---
+ +++
+ @@ -188,7 +188,7 @@
+ "seqid": 2,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -198,7 +198,7 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -209,7 +209,7 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -219,8 +219,8 @@
+ "type": "ambiguousMonomer",
+ "id": "4",
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "seqid": 5,
+ "alias": "R",
+ @@ -231,7 +231,7 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -242,7 +242,7 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -253,8 +253,8 @@
+ "id": "7",
+ "seqid": 8,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -264,7 +264,7 @@
+ "id": "8",
+ "seqid": 9,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -275,7 +275,7 @@
+ "id": "9",
+ "seqid": 10,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -285,8 +285,8 @@
+ "type": "ambiguousMonomer",
+ "id": "10",
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "seqid": 11,
+ "alias": "S",
+ helm_mixed_custom.ket:FAILED
+ ---
+ +++
+ @@ -148,7 +148,7 @@
+ "id": "1",
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "seqid": 2,
+ "alias": "N0",
+ @@ -159,7 +159,7 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -170,7 +170,7 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -180,8 +180,8 @@
+ "type": "ambiguousMonomer",
+ "id": "4",
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "seqid": 5,
+ "alias": "N0",
+ @@ -192,7 +192,7 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -203,7 +203,7 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -213,8 +213,8 @@
+ "type": "ambiguousMonomer",
+ "id": "7",
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "seqid": 8,
+ "alias": "N",
+ helm_multi_char_rna.ket:FAILED
+ ---
+ +++
+ @@ -230,7 +230,7 @@
+ "seqid": 2,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -240,7 +240,7 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -251,7 +251,7 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -262,8 +262,8 @@
+ "id": "4",
+ "seqid": 5,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -273,7 +273,7 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -284,7 +284,7 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -295,8 +295,8 @@
+ "id": "7",
+ "seqid": 8,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -306,7 +306,7 @@
+ "id": "8",
+ "seqid": 9,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -317,7 +317,7 @@
+ "id": "9",
+ "seqid": 10,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -328,8 +328,8 @@
+ "id": "10",
+ "seqid": 11,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -339,7 +339,7 @@
+ "id": "11",
+ "seqid": 12,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -350,7 +350,7 @@
+ "id": "12",
+ "seqid": 13,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -361,8 +361,8 @@
+ "id": "13",
+ "seqid": 14,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "daA",
+ "templateId": "daA___N,N-dimethyl-Adenine"
+ helm_peptide.ket:FAILED
+ ---
+ +++
+ @@ -63,7 +63,7 @@
+ "id": "1",
+ "seqid": 2,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "meA",
+ @@ -74,7 +74,7 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "C",
+ helm_rna_without_base.ket:FAILED
+ ---
+ +++
+ @@ -46,7 +46,7 @@
+ "id": "1",
+ "seqid": 2,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ helm_simple_rna.ket:FAILED
+ ---
+ +++
+ @@ -230,7 +230,7 @@
+ "seqid": 2,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -240,7 +240,7 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -251,7 +251,7 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -262,8 +262,8 @@
+ "id": "4",
+ "seqid": 5,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -273,7 +273,7 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -284,7 +284,7 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -295,8 +295,8 @@
+ "id": "7",
+ "seqid": 8,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -306,7 +306,7 @@
+ "id": "8",
+ "seqid": 9,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -317,7 +317,7 @@
+ "id": "9",
+ "seqid": 10,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -328,8 +328,8 @@
+ "id": "10",
+ "seqid": 11,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -339,7 +339,7 @@
+ "id": "11",
+ "seqid": 12,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -350,7 +350,7 @@
+ "id": "12",
+ "seqid": 13,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -361,8 +361,8 @@
+ "id": "13",
+ "seqid": 14,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.idt_to_ket
[FAILED]
Raw output
Diff:
- idt_32moera.ket:SUCCEED
+ idt_32moera.ket:FAILED
+ ---
+ +++
+ @@ -47,7 +47,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
- idt_52moera.ket:SUCCEED
+ idt_52moera.ket:FAILED
- idt_52moera_32moera.ket:SUCCEED
+ ---
- idt_52moera_i2moera.ket:SUCCEED
- idt_52moera_sp.ket:SUCCEED
+ +++
- idt_52moera_sp_32moera.ket:SUCCEED
- idt_52moera_sp_i2moera_sp.ket:SUCCEED
+ @@ -64,7 +64,7 @@
- idt_52moera_with_3phos.ket:SUCCEED
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -74,7 +74,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ idt_52moera_32moera.ket:FAILED
+ ---
+ +++
+ @@ -92,7 +92,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -102,7 +102,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -113,7 +113,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -124,8 +124,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ idt_52moera_i2moera.ket:FAILED
+ ---
+ +++
+ @@ -106,7 +106,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -116,7 +116,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -127,7 +127,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -138,8 +138,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -149,7 +149,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ idt_52moera_sp.ket:FAILED
+ ---
+ +++
+ @@ -64,7 +64,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -74,7 +74,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ idt_52moera_sp_32moera.ket:FAILED
+ ---
+ +++
+ @@ -92,7 +92,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -102,7 +102,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -113,7 +113,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -124,8 +124,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ idt_52moera_sp_i2moera_sp.ket:FAILED
+ ---
+ +++
+ @@ -106,7 +106,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -116,7 +116,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -127,7 +127,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -138,8 +138,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -149,7 +149,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ idt_52moera_with_3phos.ket:FAILED
+ ---
+ +++
+ @@ -78,7 +78,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -88,7 +88,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -99,7 +99,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
- idt_bases.ket:SUCCEED
+ idt_bases.ket:FAILED
- idt_i2moera.ket:SUCCEED
+ ---
- idt_i2moera_32moera.ket:SUCCEED
- idt_i2moera_sp.ket:SUCCEED
+ +++
- idt_i2moera_sp_32moera.ket:SUCCEED
- idt_i2moera_t.ket:SUCCEED
+ @@ -275,7 +275,7 @@
- idt_many_molecules.ket:SUCCEED
- idt_mixed.ket:SUCCEED
+ "seqid": 0,
- idt_mixed_custom.ket:SUCCEED
+ "position": {
- idt_mixed_std.ket:SUCCEED
+ "x": 0.000000,
- idt_mod_phosphates.ket:SUCCEED
+ - "y": -1.000000
- idt_modifications.ket:SUCCEED
+ + "y": -1.600000
- idt_prefix_suffix.ket:SUCCEED
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -285,7 +285,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -296,7 +296,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -307,8 +307,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -318,7 +318,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -329,7 +329,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -340,8 +340,8 @@
+ "id": "7",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -351,7 +351,7 @@
+ "id": "8",
+ "seqid": 2,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -362,7 +362,7 @@
+ "id": "9",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -373,8 +373,8 @@
+ "id": "10",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -384,7 +384,7 @@
+ "id": "11",
+ "seqid": 3,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200001,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -395,7 +395,7 @@
+ "id": "12",
+ "seqid": 4,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -406,8 +406,8 @@
+ "id": "13",
+ "seqid": 4,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -417,7 +417,7 @@
+ "id": "14",
+ "seqid": 4,
+ "position": {
+ - "x": 9.000000,
+ + "x": 14.400001,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -428,7 +428,7 @@
+ "id": "15",
+ "seqid": 5,
+ "position": {
+ - "x": 10.000000,
+ + "x": 16.000000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -439,8 +439,8 @@
+ "id": "16",
+ "seqid": 5,
+ "position": {
+ - "x": 10.000000,
+ - "y": -1.000000
+ + "x": 16.000000,
+ + "y": -1.600000
+ },
+ "alias": "In",
+ "templateId": "In___Inosine"
+ idt_i2moera.ket:FAILED
+ ---
+ +++
+ @@ -64,7 +64,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -74,7 +74,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ idt_i2moera_32moera.ket:FAILED
+ ---
+ +++
+ @@ -92,7 +92,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -102,7 +102,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -113,7 +113,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -124,8 +124,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ idt_i2moera_sp.ket:FAILED
+ ---
+ +++
+ @@ -64,7 +64,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -74,7 +74,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ idt_i2moera_sp_32moera.ket:FAILED
+ ---
+ +++
+ @@ -92,7 +92,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -102,7 +102,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -113,7 +113,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -124,8 +124,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ idt_i2moera_t.ket:FAILED
+ ---
+ +++
+ @@ -98,7 +98,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -108,7 +108,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -119,7 +119,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -130,8 +130,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ idt_many_molecules.ket:FAILED
+ ---
+ +++
+ @@ -584,7 +584,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -594,7 +594,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -605,7 +605,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -616,8 +616,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -627,7 +627,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -638,7 +638,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -649,8 +649,8 @@
+ "id": "7",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -660,7 +660,7 @@
+ "id": "8",
+ "seqid": 2,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -671,7 +671,7 @@
+ "id": "9",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -682,8 +682,8 @@
+ "id": "10",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -694,7 +694,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -2.000000
+ + "y": -3.200000
+ },
+ "alias": "MOE",
+ "templateId": "MOE___2'-O-Methoxyethyl ribose"
+ @@ -705,7 +705,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -3.000000
+ + "y": -4.800000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -715,8 +715,8 @@
+ "id": "13",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ - "y": -2.000000
+ + "x": 1.600000,
+ + "y": -3.200000
+ },
+ "alias": "sP",
+ "templateId": "sP___Phosporothioate"
+ @@ -726,8 +726,8 @@
+ "id": "14",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -2.000000
+ + "x": 3.200000,
+ + "y": -3.200000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -737,8 +737,8 @@
+ "id": "15",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -3.000000
+ + "x": 3.200000,
+ + "y": -4.800000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -748,8 +748,8 @@
+ "id": "16",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ - "y": -2.000000
+ + "x": 4.800000,
+ + "y": -3.200000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -759,8 +759,8 @@
+ "id": "17",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -2.000000
+ + "x": 6.400000,
+ + "y": -3.200000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -770,8 +770,8 @@
+ "id": "18",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -3.000000
+ + "x": 6.400000,
+ + "y": -4.800000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -781,8 +781,8 @@
+ "id": "19",
+ "seqid": 2,
+ "position": {
+ - "x": 5.000000,
+ - "y": -2.000000
+ + "x": 8.000000,
+ + "y": -3.200000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -793,7 +793,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -4.000000
+ + "y": -6.400000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -804,7 +804,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -5.000000
+ + "y": -8.000000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -814,8 +814,8 @@
+ "id": "22",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ - "y": -4.000000
+ + "x": 1.600000,
+ + "y": -6.400000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -825,8 +825,8 @@
+ "id": "23",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -4.000000
+ + "x": 3.200000,
+ + "y": -6.400000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -836,8 +836,8 @@
+ "id": "24",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -5.000000
+ + "x": 3.200000,
+ + "y": -8.000000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -847,8 +847,8 @@
+ "id": "25",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ - "y": -4.000000
+ + "x": 4.800000,
+ + "y": -6.400000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -858,8 +858,8 @@
+ "id": "26",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -4.000000
+ + "x": 6.400000,
+ + "y": -6.400000
+ },
+ "alias": "MOE",
+ "templateId": "MOE___2'-O-Methoxyethyl ribose"
+ @@ -869,8 +869,8 @@
+ "id": "27",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -5.000000
+ + "x": 6.400000,
+ + "y": -8.000000
+ },
+ "alias": "5meC",
+ "templateId": "5meC___5-methyl-cytidine"
+ @@ -880,8 +880,8 @@
+ "id": "28",
+ "seqid": 2,
+ "position": {
+ - "x": 5.000000,
+ - "y": -4.000000
+ + "x": 8.000000,
+ + "y": -6.400000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -891,8 +891,8 @@
+ "id": "29",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ - "y": -4.000000
+ + "x": 9.600000,
+ + "y": -6.400000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -903,7 +903,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -6.000000
+ + "y": -9.600000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -914,7 +914,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -7.000000
+ + "y": -11.200001
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -924,8 +924,8 @@
+ "id": "32",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ - "y": -6.000000
+ + "x": 1.600000,
+ + "y": -9.600000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -935,8 +935,8 @@
+ "id": "33",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -6.000000
+ + "x": 3.200000,
+ + "y": -9.600000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -946,8 +946,8 @@
+ "id": "34",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -7.000000
+ + "x": 3.200000,
+ + "y": -11.200001
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -957,8 +957,8 @@
+ "id": "35",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ - "y": -6.000000
+ + "x": 4.800000,
+ + "y": -9.600000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -968,8 +968,8 @@
+ "id": "36",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -6.000000
+ + "x": 6.400000,
+ + "y": -9.600000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -979,8 +979,8 @@
+ "id": "37",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -7.000000
+ + "x": 6.400000,
+ + "y": -11.200001
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -990,8 +990,8 @@
+ "id": "38",
+ "seqid": 2,
+ "position": {
+ - "x": 5.000000,
+ - "y": -6.000000
+ + "x": 8.000000,
+ + "y": -9.600000
+ },
+ "alias": "P",
+ "templateId": "P___Phosphate"
+ @@ -1001,8 +1001,8 @@
+ "id": "39",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ - "y": -6.000000
+ + "x": 9.600000,
+ + "y": -9.600000
+ },
+ "alias": "dR",
+ "templateId": "dR___Deoxy-Ribose"
+ @@ -1012,8 +1012,8 @@
+ "id": "40",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ - "y": -7.000000
+ + "x": 9.600000,
+ + "y": -11.200001
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ idt_mixed.ket:FAILED
+ ---
+ +++
+ @@ -173,7 +173,7 @@
+ "id": "1",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "LR",
+ @@ -184,8 +184,8 @@
+ "id": "2",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ - "y": -1.000000
+ + "x": 1.600000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -195,7 +195,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -206,7 +206,7 @@
+ "id": "4",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -217,8 +217,8 @@
+ "id": "5",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ - "y": -1.000000
+ + "x": 4.800000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -228,7 +228,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -239,7 +239,7 @@
+ "id": "7",
+ "seqid": 3,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -250,8 +250,8 @@
+ "id": "8",
+ "seqid": 3,
+ "position": {
+ - "x": 5.000000,
+ - "y": -1.000000
+ + "x": 8.000000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -261,7 +261,7 @@
+ "id": "9",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ idt_mixed_custom.ket:FAILED
+ ---
+ +++
+ @@ -148,7 +148,7 @@
+ "id": "1",
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "seqid": 0,
+ "alias": "(N1)",
+ @@ -159,7 +159,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -170,7 +170,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -180,8 +180,8 @@
+ "type": "ambiguousMonomer",
+ "id": "4",
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "seqid": 1,
+ "alias": "(N1)",
+ @@ -192,7 +192,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -203,7 +203,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -213,8 +213,8 @@
+ "type": "ambiguousMonomer",
+ "id": "7",
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "seqid": 2,
+ "alias": "N",
+ idt_mixed_std.ket:FAILED
+ ---
+ +++
+ @@ -188,7 +188,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -198,7 +198,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -209,7 +209,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -219,8 +219,8 @@
+ "type": "ambiguousMonomer",
+ "id": "4",
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "seqid": 1,
+ "alias": "R",
+ @@ -231,7 +231,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -242,7 +242,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -253,8 +253,8 @@
+ "id": "7",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -264,7 +264,7 @@
+ "id": "8",
+ "seqid": 2,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -275,7 +275,7 @@
+ "id": "9",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -285,8 +285,8 @@
+ "type": "ambiguousMonomer",
+ "id": "10",
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "seqid": 3,
+ "alias": "S",
+ idt_mod_phosphates.ket:FAILED
+ ---
+ +++
+ @@ -91,7 +91,7 @@
+ "id": "1",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -102,8 +102,8 @@
+ "id": "2",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ - "y": -1.000000
+ + "x": 1.600000,
+ + "y": -1.600000
+ },
+ "alias": "5meC",
+ "templateId": "5meC___5-methyl-cytidine"
+ @@ -113,7 +113,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -124,7 +124,7 @@
+ "id": "4",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ idt_modifications.ket:FAILED
+ ---
+ +++
+ @@ -137,7 +137,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -147,7 +147,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -158,7 +158,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -169,8 +169,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -180,7 +180,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -191,7 +191,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -202,8 +202,8 @@
+ "id": "7",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ idt_prefix_suffix.ket:FAILED
+ ---
+ +++
+ @@ -329,7 +329,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -339,7 +339,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -350,7 +350,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -361,8 +361,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -372,7 +372,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -383,7 +383,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "LR",
+ @@ -394,8 +394,8 @@
+ "id": "7",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -405,7 +405,7 @@
+ "id": "8",
+ "seqid": 2,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -416,7 +416,7 @@
+ "id": "9",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -427,8 +427,8 @@
+ "id": "10",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -438,7 +438,7 @@
+ "id": "11",
+ "seqid": 3,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200001,
+ "y": -0.000000
+ },
+ "alias": "sP",
+ @@ -449,7 +449,7 @@
+ "id": "12",
+ "seqid": 4,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "LR",
+ @@ -460,8 +460,8 @@
+ "id": "13",
+ "seqid": 4,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -471,7 +471,7 @@
+ "id": "14",
+ "seqid": 4,
+ "position": {
+ - "x": 9.000000,
+ + "x": 14.400001,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -482,7 +482,7 @@
+ "id": "15",
+ "seqid": 5,
+ "position": {
+ - "x": 10.000000,
+ + "x": 16.000000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -493,8 +493,8 @@
+ "id": "16",
+ "seqid": 5,
+ "position": {
+ - "x": 10.000000,
+ - "y": -1.000000
+ + "x": 16.000000,
+ + "y": -1.600000
+ },
+ "alias": "In",
+ "templateId": "In___Inosine"
+ @@ -504,7 +504,7 @@
+ "id": "17",
+ "seqid": 5,
+ "position": {
+ - "x": 11.000000,
+ + "x": 17.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -515,7 +515,7 @@
+ "id": "18",
+ "seqid": 6,
+ "position": {
+ - "x": 12.000000,
+ + "x": 19.200001,
+ "y": -0.000000
+ },
+ "alias": "mR",
+ @@ -526,8 +526,8 @@
+ "id": "19",
+ "seqid": 6,
+ "position": {
+ - "x": 12.000000,
+ - "y": -1.000000
+ + "x": 19.200001,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
- idt_single_nucleoside.ket:SUCCEED
+ idt_single_nucleoside.ket:FAILED
- idt_std_phosphates.ket:SUCCEED
+ ---
- idt_t_i2moera.ket:SUCCEED
- idt_unresolved.ket:SUCCEED
+ +++
- idt_unresolved_many.ket:SUCCEED
+ @@ -47,7 +47,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ idt_std_phosphates.ket:FAILED
+ ---
+ +++
+ @@ -167,7 +167,7 @@
+ "id": "1",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -178,8 +178,8 @@
+ "id": "2",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ - "y": -1.000000
+ + "x": 1.600000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -189,7 +189,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -200,7 +200,7 @@
+ "id": "4",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -211,8 +211,8 @@
+ "id": "5",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ - "y": -1.000000
+ + "x": 4.800000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -222,7 +222,7 @@
+ "id": "6",
+ "seqid": 2,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -233,7 +233,7 @@
+ "id": "7",
+ "seqid": 3,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -244,8 +244,8 @@
+ "id": "8",
+ "seqid": 3,
+ "position": {
+ - "x": 5.000000,
+ - "y": -1.000000
+ + "x": 8.000000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -255,7 +255,7 @@
+ "id": "9",
+ "seqid": 3,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ idt_t_i2moera.ket:FAILED
+ ---
+ +++
+ @@ -112,7 +112,7 @@
+ "seqid": 0,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -122,7 +122,7 @@
+ "id": "2",
+ "seqid": 0,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -133,7 +133,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "MOE",
+ @@ -144,8 +144,8 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -155,7 +155,7 @@
+ "id": "5",
+ "seqid": 1,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ idt_unresolved.ket:FAILED
+ ---
+ +++
+ @@ -46,7 +46,7 @@
+ "id": "1",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "unr2",
+ idt_unresolved_many.ket:FAILED
+ ---
+ +++
+ @@ -409,7 +409,7 @@
+ "id": "1",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -420,8 +420,8 @@
+ "id": "2",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ - "y": -1.000000
+ + "x": 1.600000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -431,7 +431,7 @@
+ "id": "3",
+ "seqid": 1,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -442,7 +442,7 @@
+ "id": "4",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "unr1",
+ @@ -453,7 +453,7 @@
+ "id": "5",
+ "seqid": 3,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -464,8 +464,8 @@
+ "id": "6",
+ "seqid": 3,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -475,7 +475,7 @@
+ "id": "7",
+ "seqid": 3,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -486,7 +486,7 @@
+ "id": "8",
+ "seqid": 4,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "unr2",
+ @@ -497,7 +497,7 @@
+ "id": "9",
+ "seqid": 5,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -508,8 +508,8 @@
+ "id": "10",
+ "seqid": 5,
+ "position": {
+ - "x": 7.000000,
+ - "y": -1.000000
+ + "x": 11.200000,
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -519,7 +519,7 @@
+ "id": "11",
+ "seqid": 5,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -530,7 +530,7 @@
+ "id": "12",
+ "seqid": 6,
+ "position": {
+ - "x": 9.000000,
+ + "x": 14.400001,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -541,8 +541,8 @@
+ "id": "13",
+ "seqid": 6,
+ "position": {
+ - "x": 9.000000,
+ - "y": -1.000000
+ + "x": 14.400001,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -552,7 +552,7 @@
+ "id": "14",
+ "seqid": 6,
+ "position": {
+ - "x": 10.000000,
+ + "x": 16.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -563,7 +563,7 @@
+ "id": "15",
+ "seqid": 7,
+ "position": {
+ - "x": 11.000000,
+ + "x": 17.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -574,8 +574,8 @@
+ "id": "16",
+ "seqid": 7,
+ "position": {
+ - "x": 11.000000,
+ - "y": -1.000000
+ + "x": 17.600000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -585,7 +585,7 @@
+ "id": "17",
+ "seqid": 7,
+ "position": {
+ - "x": 12.000000,
+ + "x": 19.200001,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -596,7 +596,7 @@
+ "id": "18",
+ "seqid": 8,
+ "position": {
+ - "x": 13.000000,
+ + "x": 20.800001,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -607,8 +607,8 @@
+ "id": "19",
+ "seqid": 8,
+ "position": {
+ - "x": 13.000000,
+ - "y": -1.000000
+ + "x": 20.800001,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -618,7 +618,7 @@
+ "id": "20",
+ "seqid": 8,
+ "position": {
+ - "x": 14.000000,
+ + "x": 22.400002,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -629,7 +629,7 @@
+ "id": "21",
+ "seqid": 9,
+ "position": {
+ - "x": 15.000000,
+ + "x": 24.000000,
+ "y": -0.000000
+ },
+ "alias": "unr3",
+ @@ -640,7 +640,7 @@
+ "id": "22",
+ "seqid": 10,
+ "position": {
+ - "x": 16.000000,
+ + "x": 25.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -651,8 +651,8 @@
+ "id": "23",
+ "seqid": 10,
+ "position": {
+ - "x": 16.000000,
+ - "y": -1.000000
+ + "x": 25.600000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -662,7 +662,7 @@
+ "id": "24",
+ "seqid": 10,
+ "position": {
+ - "x": 17.000000,
+ + "x": 27.200001,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -673,7 +673,7 @@
+ "id": "25",
+ "seqid": 11,
+ "position": {
+ - "x": 18.000000,
+ + "x": 28.800001,
+ "y": -0.000000
+ },
+ "alias": "unr4",
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.mol_to_ket
[FAILED]
Raw output
Diff:
- acgt_1412.ket:SUCCEED
+ acgt_1412.ket:FAILED
+ ---
+ +++
+ @@ -299,7 +299,7 @@
+ "seqid": 2,
+ "position": {
+ "x": 7.409950256347656,
+ - "y": -8.6875
+ + "y": -9.287500381469727
+ },
+ "alias": "A",
+ "templateId": "Ade"
+ @@ -321,7 +321,7 @@
+ "seqid": 3,
+ "position": {
+ "x": 8.354849815368653,
+ - "y": -8.6875
+ + "y": -9.287500381469727
+ },
+ "alias": "C",
+ "templateId": "Cyt"
+ @@ -343,7 +343,7 @@
+ "seqid": 4,
+ "position": {
+ "x": 9.299699783325196,
+ - "y": -8.6875
+ + "y": -9.287500381469727
+ },
+ "alias": "G",
+ "templateId": "Gua"
+ @@ -365,7 +365,7 @@
+ "seqid": 5,
+ "position": {
+ "x": 10.244550704956055,
+ - "y": -8.6875
+ + "y": -9.287500381469727
+ },
+ "alias": "T",
+ "templateId": "Thy"
+ @@ -375,7 +375,7 @@
+ "id": "13",
+ "seqid": 6,
+ "position": {
+ - "x": 11.717000007629395,
+ + "x": 12.317000389099121,
+ "y": -7.6875
+ },
+ "alias": "R",
+ @@ -386,8 +386,8 @@
+ "id": "14",
+ "seqid": 6,
+ "position": {
+ - "x": 11.717000007629395,
+ - "y": -8.6875
+ + "x": 12.317000389099121,
+ + "y": -9.287500381469727
+ },
+ "alias": "U",
+ "templateId": "Ura"
- conjugate.ket:SUCCEED
+ conjugate.ket:FAILED
+ ---
+ +++
+ @@ -1667,7 +1667,7 @@
+ "seqid": 22,
+ "position": {
+ "x": 10.088197708129883,
+ - "y": -12.218631744384766
+ + "y": -12.818632125854493
+ },
+ "alias": "G",
+ "templateId": "Gua"
+ @@ -1700,7 +1700,7 @@
+ "seqid": 20,
+ "position": {
+ "x": 7.537199974060059,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "C",
+ "templateId": "Cyt"
+ @@ -1722,7 +1722,7 @@
+ "seqid": 19,
+ "position": {
+ "x": 7.263199806213379,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "G",
+ "templateId": "Gua"
+ @@ -1744,7 +1744,7 @@
+ "seqid": 18,
+ "position": {
+ "x": 6.989200115203857,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "C",
+ "templateId": "Cyt"
+ @@ -1766,7 +1766,7 @@
+ "seqid": 17,
+ "position": {
+ "x": 6.715199947357178,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "T",
+ "templateId": "Thy"
+ @@ -1788,7 +1788,7 @@
+ "seqid": 16,
+ "position": {
+ "x": 6.441200256347656,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "G",
+ "templateId": "Gua"
+ @@ -1810,7 +1810,7 @@
+ "seqid": 15,
+ "position": {
+ "x": 6.167200088500977,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "A",
+ "templateId": "Ade"
+ @@ -1832,7 +1832,7 @@
+ "seqid": 21,
+ "position": {
+ "x": 7.948249816894531,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "C",
+ "templateId": "Cyt"
+ @@ -1854,7 +1854,7 @@
+ "seqid": 14,
+ "position": {
+ "x": 5.893150329589844,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "C",
+ "templateId": "Cyt"
+ @@ -1887,7 +1887,7 @@
+ "seqid": 12,
+ "position": {
+ "x": 5.345099925994873,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "A",
+ "templateId": "Ade"
+ @@ -1909,7 +1909,7 @@
+ "seqid": 11,
+ "position": {
+ "x": 4.934100151062012,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "C",
+ "templateId": "Cyt"
+ @@ -1920,7 +1920,7 @@
+ "seqid": 13,
+ "position": {
+ "x": 5.619100093841553,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "C",
+ "templateId": "Cyt"
+ @@ -1942,7 +1942,7 @@
+ "seqid": 10,
+ "position": {
+ "x": 4.523099899291992,
+ - "y": -12.979000091552735
+ + "y": -13.579000473022461
+ },
+ "alias": "T",
+ "templateId": "Thy"
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- dna_mod.ket:SUCCEED
+ dna_mod.ket:FAILED
+ ---
+ +++
+ @@ -1038,8 +1038,8 @@
+ "id": "20",
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+ @@ -1049,7 +1049,7 @@
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+ "seqid": 21,
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+ @@ -1083,7 +1083,7 @@
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- removed_phosphate.ket:SUCCEED
+ removed_phosphate.ket:FAILED
- rna_mod.ket:SUCCEED
+ ---
+ +++
+ @@ -206,8 +206,8 @@
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Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.rxn_no_layout
[FAILED]
Raw output
Diff:
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Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.seq_to_ket
[FAILED]
Raw output
Diff:
- all_aminoacids.ket:SUCCEED
+ all_aminoacids.ket:FAILED
- rna_acgtu.ket:SUCCEED
+ ---
- dna_acgtu.ket:SUCCEED
- spaces.ket:SUCCEED
+ +++
- aminoacids_variants.ket:SUCCEED
- rna_variants.ket:SUCCEED
+ @@ -383,7 +383,7 @@
- dna_variants.ket:SUCCEED
+ "id": "1",
+ "seqid": 2,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "C",
+ @@ -394,7 +394,7 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "D",
+ @@ -405,7 +405,7 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "E",
+ @@ -416,7 +416,7 @@
+ "id": "4",
+ "seqid": 5,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "F",
+ @@ -427,7 +427,7 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "G",
+ @@ -438,7 +438,7 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "H",
+ @@ -449,7 +449,7 @@
+ "id": "7",
+ "seqid": 8,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200000,
+ "y": -0.000000
+ },
+ "alias": "I",
+ @@ -460,7 +460,7 @@
+ "id": "8",
+ "seqid": 9,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "K",
+ @@ -471,7 +471,7 @@
+ "id": "9",
+ "seqid": 10,
+ "position": {
+ - "x": 9.000000,
+ + "x": 14.400001,
+ "y": -0.000000
+ },
+ "alias": "L",
+ @@ -482,7 +482,7 @@
+ "id": "10",
+ "seqid": 11,
+ "position": {
+ - "x": 10.000000,
+ + "x": 16.000000,
+ "y": -0.000000
+ },
+ "alias": "M",
+ @@ -493,7 +493,7 @@
+ "id": "11",
+ "seqid": 12,
+ "position": {
+ - "x": 11.000000,
+ + "x": 17.600000,
+ "y": -0.000000
+ },
+ "alias": "N",
+ @@ -504,7 +504,7 @@
+ "id": "12",
+ "seqid": 13,
+ "position": {
+ - "x": 12.000000,
+ + "x": 19.200001,
+ "y": -0.000000
+ },
+ "alias": "O",
+ @@ -515,7 +515,7 @@
+ "id": "13",
+ "seqid": 14,
+ "position": {
+ - "x": 13.000000,
+ + "x": 20.800001,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -526,7 +526,7 @@
+ "id": "14",
+ "seqid": 15,
+ "position": {
+ - "x": 14.000000,
+ + "x": 22.400000,
+ "y": -0.000000
+ },
+ "alias": "Q",
+ @@ -537,7 +537,7 @@
+ "id": "15",
+ "seqid": 16,
+ "position": {
+ - "x": 15.000000,
+ + "x": 24.000000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -548,7 +548,7 @@
+ "id": "16",
+ "seqid": 17,
+ "position": {
+ - "x": 16.000000,
+ + "x": 25.600000,
+ "y": -0.000000
+ },
+ "alias": "S",
+ @@ -559,7 +559,7 @@
+ "id": "17",
+ "seqid": 18,
+ "position": {
+ - "x": 17.000000,
+ + "x": 27.200001,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -570,7 +570,7 @@
+ "id": "18",
+ "seqid": 19,
+ "position": {
+ - "x": 18.000000,
+ + "x": 28.800001,
+ "y": -0.000000
+ },
+ "alias": "U",
+ @@ -581,7 +581,7 @@
+ "id": "19",
+ "seqid": 20,
+ "position": {
+ - "x": 19.000000,
+ + "x": 30.400000,
+ "y": -0.000000
+ },
+ "alias": "V",
+ @@ -592,7 +592,7 @@
+ "id": "20",
+ "seqid": 21,
+ "position": {
+ - "x": 20.000000,
+ + "x": 32.000000,
+ "y": -0.000000
+ },
+ "alias": "W",
+ @@ -603,7 +603,7 @@
+ "id": "21",
+ "seqid": 22,
+ "position": {
+ - "x": 21.000000,
+ + "x": 33.600002,
+ "y": -0.000000
+ },
+ "alias": "Y",
+ rna_acgtu.ket:FAILED
+ ---
+ +++
+ @@ -230,7 +230,7 @@
+ "seqid": 1,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -240,7 +240,7 @@
+ "id": "2",
+ "seqid": 2,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -251,8 +251,8 @@
+ "id": "3",
+ "seqid": 2,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -262,7 +262,7 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -273,7 +273,7 @@
+ "id": "5",
+ "seqid": 3,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -284,8 +284,8 @@
+ "id": "6",
+ "seqid": 3,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -295,7 +295,7 @@
+ "id": "7",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -306,7 +306,7 @@
+ "id": "8",
+ "seqid": 4,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -317,8 +317,8 @@
+ "id": "9",
+ "seqid": 4,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -328,7 +328,7 @@
+ "id": "10",
+ "seqid": 3,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -339,7 +339,7 @@
+ "id": "11",
+ "seqid": 5,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -350,8 +350,8 @@
+ "id": "12",
+ "seqid": 5,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -361,7 +361,7 @@
+ "id": "13",
+ "seqid": 4,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ dna_acgtu.ket:FAILED
+ ---
+ +++
+ @@ -230,7 +230,7 @@
+ "seqid": 1,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "A",
+ "templateId": "A___Adenine"
+ @@ -240,7 +240,7 @@
+ "id": "2",
+ "seqid": 2,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -251,8 +251,8 @@
+ "id": "3",
+ "seqid": 2,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "C",
+ "templateId": "C___Cytosine"
+ @@ -262,7 +262,7 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -273,7 +273,7 @@
+ "id": "5",
+ "seqid": 3,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -284,8 +284,8 @@
+ "id": "6",
+ "seqid": 3,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "G",
+ "templateId": "G___Guanine"
+ @@ -295,7 +295,7 @@
+ "id": "7",
+ "seqid": 2,
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -306,7 +306,7 @@
+ "id": "8",
+ "seqid": 4,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -317,8 +317,8 @@
+ "id": "9",
+ "seqid": 4,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "T",
+ "templateId": "T___Thymine"
+ @@ -328,7 +328,7 @@
+ "id": "10",
+ "seqid": 3,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ @@ -339,7 +339,7 @@
+ "id": "11",
+ "seqid": 5,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -350,8 +350,8 @@
+ "id": "12",
+ "seqid": 5,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "U",
+ "templateId": "U___Uracil"
+ @@ -361,7 +361,7 @@
+ "id": "13",
+ "seqid": 4,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ spaces.ket:FAILED
+ ---
+ +++
+ @@ -372,7 +372,7 @@
+ "id": "1",
+ "seqid": 2,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "C",
+ @@ -383,7 +383,7 @@
+ "id": "2",
+ "seqid": 3,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "D",
+ @@ -394,7 +394,7 @@
+ "id": "3",
+ "seqid": 4,
+ "position": {
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+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "alias": "E",
+ @@ -405,7 +405,7 @@
+ "id": "4",
+ "seqid": 5,
+ "position": {
+ - "x": 4.000000,
+ + "x": 6.400000,
+ "y": -0.000000
+ },
+ "alias": "F",
+ @@ -416,7 +416,7 @@
+ "id": "5",
+ "seqid": 6,
+ "position": {
+ - "x": 5.000000,
+ + "x": 8.000000,
+ "y": -0.000000
+ },
+ "alias": "G",
+ @@ -427,7 +427,7 @@
+ "id": "6",
+ "seqid": 7,
+ "position": {
+ - "x": 6.000000,
+ + "x": 9.600000,
+ "y": -0.000000
+ },
+ "alias": "H",
+ @@ -438,7 +438,7 @@
+ "id": "7",
+ "seqid": 8,
+ "position": {
+ - "x": 7.000000,
+ + "x": 11.200000,
+ "y": -0.000000
+ },
+ "alias": "I",
+ @@ -449,7 +449,7 @@
+ "id": "8",
+ "seqid": 9,
+ "position": {
+ - "x": 8.000000,
+ + "x": 12.800000,
+ "y": -0.000000
+ },
+ "alias": "K",
+ @@ -460,7 +460,7 @@
+ "id": "9",
+ "seqid": 10,
+ "position": {
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+ "y": -0.000000
+ },
+ "alias": "L",
+ @@ -471,7 +471,7 @@
+ "id": "10",
+ "seqid": 11,
+ "position": {
+ - "x": 10.000000,
+ + "x": 16.000000,
+ "y": -0.000000
+ },
+ "alias": "M",
+ @@ -482,7 +482,7 @@
+ "id": "11",
+ "seqid": 12,
+ "position": {
+ - "x": 11.000000,
+ + "x": 17.600000,
+ "y": -0.000000
+ },
+ "alias": "N",
+ @@ -494,7 +494,7 @@
+ "seqid": 1,
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "alias": "O",
+ "templateId": "O___Pyrrolysine"
+ @@ -504,8 +504,8 @@
+ "id": "13",
+ "seqid": 2,
+ "position": {
+ - "x": 1.000000,
+ - "y": -1.000000
+ + "x": 1.600000,
+ + "y": -1.600000
+ },
+ "alias": "P",
+ "templateId": "P___Proline"
+ @@ -515,8 +515,8 @@
+ "id": "14",
+ "seqid": 3,
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "alias": "Q",
+ "templateId": "Q___Glutamine"
+ @@ -526,8 +526,8 @@
+ "id": "15",
+ "seqid": 4,
+ "position": {
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+ - "y": -1.000000
+ + "x": 4.800000,
+ + "y": -1.600000
+ },
+ "alias": "R",
+ "templateId": "R___Arginine"
+ @@ -537,8 +537,8 @@
+ "id": "16",
+ "seqid": 5,
+ "position": {
+ - "x": 4.000000,
+ - "y": -1.000000
+ + "x": 6.400000,
+ + "y": -1.600000
+ },
+ "alias": "S",
+ "templateId": "S___Serine"
+ @@ -548,8 +548,8 @@
+ "id": "17",
+ "seqid": 6,
+ "position": {
+ - "x": 5.000000,
+ - "y": -1.000000
+ + "x": 8.000000,
+ + "y": -1.600000
+ },
+ "alias": "R",
+ "templateId": "R___Arginine"
+ @@ -559,8 +559,8 @@
+ "id": "18",
+ "seqid": 7,
+ "position": {
+ - "x": 6.000000,
+ - "y": -1.000000
+ + "x": 9.600000,
+ + "y": -1.600000
+ },
+ "alias": "U",
+ "templateId": "U___Selenocysteine"
+ @@ -570,8 +570,8 @@
+ "id": "19",
+ "seqid": 8,
+ "position": {
+ - "x": 7.000000,
+ - "y": -1.000000
+ + "x": 11.200000,
+ + "y": -1.600000
+ },
+ "alias": "V",
+ "templateId": "V___Valine"
+ @@ -581,8 +581,8 @@
+ "id": "20",
+ "seqid": 9,
+ "position": {
+ - "x": 8.000000,
+ - "y": -1.000000
+ + "x": 12.800000,
+ + "y": -1.600000
+ },
+ "alias": "W",
+ "templateId": "W___Tryptophan"
+ @@ -592,8 +592,8 @@
+ "id": "21",
+ "seqid": 10,
+ "position": {
+ - "x": 9.000000,
+ - "y": -1.000000
+ + "x": 14.400001,
+ + "y": -1.600000
+ },
+ "alias": "Y",
+ "templateId": "Y___Tyrosine"
+ aminoacids_variants.ket:FAILED
+ ---
+ +++
+ @@ -145,7 +145,7 @@
+ "type": "ambiguousMonomer",
+ "id": "1",
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "seqid": 2,
+ @@ -156,7 +156,7 @@
+ "type": "ambiguousMonomer",
+ "id": "2",
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "seqid": 3,
+ @@ -167,7 +167,7 @@
+ "type": "ambiguousMonomer",
+ "id": "3",
+ "position": {
+ - "x": 3.000000,
+ + "x": 4.800000,
+ "y": -0.000000
+ },
+ "seqid": 4,
+ rna_variants.ket:FAILED
+ ---
+ +++
+ @@ -106,7 +106,7 @@
+ "id": "1",
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "seqid": 1,
+ "alias": "K",
+ @@ -117,7 +117,7 @@
+ "id": "2",
+ "seqid": 2,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "R",
+ @@ -127,8 +127,8 @@
+ "type": "ambiguousMonomer",
+ "id": "3",
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "seqid": 2,
+ "alias": "N",
+ @@ -139,7 +139,7 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
+ dna_variants.ket:FAILED
+ ---
+ +++
+ @@ -106,7 +106,7 @@
+ "id": "1",
+ "position": {
+ "x": 0.000000,
+ - "y": -1.000000
+ + "y": -1.600000
+ },
+ "seqid": 1,
+ "alias": "B",
+ @@ -117,7 +117,7 @@
+ "id": "2",
+ "seqid": 2,
+ "position": {
+ - "x": 2.000000,
+ + "x": 3.200000,
+ "y": -0.000000
+ },
+ "alias": "dR",
+ @@ -127,8 +127,8 @@
+ "type": "ambiguousMonomer",
+ "id": "3",
+ "position": {
+ - "x": 2.000000,
+ - "y": -1.000000
+ + "x": 3.200000,
+ + "y": -1.600000
+ },
+ "seqid": 2,
+ "alias": "N",
+ @@ -139,7 +139,7 @@
+ "id": "4",
+ "seqid": 1,
+ "position": {
+ - "x": 1.000000,
+ + "x": 1.600000,
+ "y": -0.000000
+ },
+ "alias": "P",
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
formats.smiles
[FAILED]
Raw output
Diff:
- C1=CC=C(C)C(C2=C(N)C=C(C)C=C2)=C1O |o1:5,r,wU:5.4,(1.50,-0.87,;2.00,-0.00,;1.50,0.87,;0.50,0.87,;0.00,1.73,;0.00,0.00,;-1.00,0.00,;-1.50,0.87,;-1.00,1.73,;-2.50,0.87,;-3.00,0.00,;-4.00,0.00,;-2.50,-0.87,;-1.50,-0.87,;0.50,-0.87,;-0.00,-1.73,)|
+ C1=CC=C(C)C(C2=C(N)C=C(C)C=C2)=C1O |o1:5,r,wU:5.4,(2.40,-1.39,;3.20,-0.00,;2.40,1.39,;0.80,1.39,;0.00,2.77,;0.00,0.00,;-1.60,0.00,;-2.40,1.39,;-1.60,2.77,;-4.00,1.39,;-4.80,0.00,;-6.40,0.00,;-4.00,-1.39,;-2.40,-1.39,;0.80,-1.39,;-0.00,-2.77,)|
- C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |wU:3.12,wD:3.3,(-1.50,0.87,;-0.50,0.87,;-0.00,1.73,;0.00,0.00,;1.00,0.00,;1.50,0.87,;2.50,0.87,;3.00,0.00,;4.00,0.00,;2.50,-0.87,;1.50,-0.87,;1.00,-1.73,;-0.50,-0.87,;0.00,-1.73,;-1.50,-0.87,;-2.00,-0.00,)|
+ C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |wU:3.12,wD:3.3,(-2.40,1.39,;-0.80,1.39,;-0.00,2.77,;0.00,0.00,;1.60,0.00,;2.40,1.39,;4.00,1.39,;4.80,0.00,;6.40,0.00,;4.00,-1.39,;2.40,-1.39,;1.60,-2.77,;-0.80,-1.39,;0.00,-2.77,;-2.40,-1.39,;-3.20,-0.00,)|
- C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |w:3.3,3.12,(-1.50,0.87,;-0.50,0.87,;-0.00,1.73,;0.00,0.00,;1.00,0.00,;1.50,0.87,;2.50,0.87,;3.00,0.00,;4.00,0.00,;2.50,-0.87,;1.50,-0.87,;1.00,-1.73,;-0.50,-0.87,;0.00,-1.73,;-1.50,-0.87,;-2.00,-0.00,)|
+ C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |w:3.3,3.12,(-2.40,1.39,;-0.80,1.39,;-0.00,2.77,;0.00,0.00,;1.60,0.00,;2.40,1.39,;4.00,1.39,;4.80,0.00,;6.40,0.00,;4.00,-1.39,;2.40,-1.39,;1.60,-2.77,;-0.80,-1.39,;0.00,-2.77,;-2.40,-1.39,;-3.20,-0.00,)|
Check failure on line 1 in api/c/tests/unit/tests/layout.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
layout.basic
[FAILED]
Raw output
Diff:
- Result: Molecule #0: Success
+ Result: Molecule #0: Error: atom #0 (Cl) contains delta 0.49999994081089488 > 0.001
- Molecule #1: Success
+ atom #1 (C) contains delta 0.4999997619848992 > 0.001
+ atom #2 (C) contains delta 0.50000000040347814 > 0.001
+ atom #3 (C) contains delta 0.49995899241270941 > 0.001
+ atom #4 (O) contains delta 0.49995899241996822 > 0.001
+ Molecule #1: Error: atom #0 (C) contains delta 0.29997825626348429 > 0.001
+ atom #1 (N) contains delta 0.29997825625460189 > 0.001
+ atom #2 (C) contains delta 0.30001926425578485 > 0.001
+ atom #3 (C) contains delta 0.29996013645535968 > 0.001
+ atom #4 (C) contains delta 0.29995823241386399 > 0.001
+ atom #5 (O) contains delta 0.29995822909395925 > 0.001
+ atom #6 (S) contains delta 0.30003738406093272 > 0.001
+ atom #7 (O) contains delta 0.30003738626518972 > 0.001
+ atom #8 (O) contains delta 0.3000354800326307 > 0.001
+ atom #9 (C) contains delta 0.29999542238251947 > 0.001
+ atom #10 (F) contains delta 0.30000495913714026 > 0.001
+ atom #11 (F) contains delta 0.29999160768458499 > 0.001
+ atom #12 (C) contains delta 0.2999572754094878 > 0.001
+ atom #13 (F) contains delta 0.30004882833424446 > 0.001
+ atom #14 (F) contains delta 0.29996299763268114 > 0.001
+ atom #15 (C) contains delta 0.30001449586382545 > 0.001
+ atom #16 (F) contains delta 0.30002403263066602 > 0.001
+ atom #17 (F) contains delta 0.30001068117091195 > 0.001
+ atom #18 (C) contains delta 0.29997444153455105 > 0.001
+ atom #19 (F) contains delta 0.29997444153364983 > 0.001
+ atom #20 (F) contains delta 0.30003547668628133 > 0.001
+ atom #21 (F) contains delta 0.30003356933830572 > 0.001
- Result: Molecule #0: Success
+ Result: Molecule #0: Error: atom #0 (C) contains delta 0.50000024008073674 > 0.001
- Molecule #1: Success
+ atom #1 (C) contains delta 0.50000000166215841 > 0.001
+ atom #2 (C) contains delta 0.49999994039541207 > 0.001
+ atom #3 (C) contains delta 0.50000000164277481 > 0.001
+ atom #4 (C) contains delta 0.50000000166215841 > 0.001
+ atom #5 (C) contains delta 0.49999952316285601 > 0.001
+ data sgroup #0 contains delta 0.49999976158142445 > 0.001
+ Molecule #1: Error: atom #0 (C) contains delta 0.30000019350512552 > 0.001
+ atom #1 (C) contains delta 0.29999923983081794 > 0.001
+ atom #2 (C) contains delta 0.29999923706064163 > 0.001
+ atom #3 (C) contains delta 0.29999923979851184 > 0.001
+ atom #4 (C) contains delta 0.29999923983081794 > 0.001
+ atom #5 (C) contains delta 0.29999923706057058 > 0.001
+ data sgroup #0 contains delta 0.30004978179931641 > 0.001
Check failure on line 1 in api/c/tests/unit/tests/layout.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
layout.reaction_layout_and_clean2d
[FAILED]
Raw output
Diff:
- Item #0: Result of layout: Molecule #0: Success
+ Item #0: Result of layout: Molecule #0: Error: atom #0 (C) contains delta 0.49999994039536944 > 0.001
- Molecule #1: Success
+ atom #1 (C) contains delta 0.49995946884157494 > 0.001
- Molecule #2: Success
+ atom #2 (C) contains delta 0.50001907348634234 > 0.001
- Molecule #3: Success
+ atom #3 (C) contains delta 0.49997806549072354 > 0.001
+ atom #4 (C) contains delta 0.50003719329835405 > 0.001
+ atom #5 (C) contains delta 0.49999618530299106 > 0.001
+ atom #6 (P) contains delta 0.49995613098180064 > 0.001
+ atom #7 (O) contains delta 0.49997806549073687 > 0.001
+ Molecule #1: Error: atom #0 (C) contains delta 0.70001411437992345 > 0.001
+ atom #1 (C) contains delta 0.69995594024658458 > 0.001
+ atom #2 (C) contains delta 0.6999559402466049 > 0.001
+ atom #3 (C) contains delta 0.70001411437992345 > 0.001
+ atom #4 (C) contains delta 0.6999740600585963 > 0.001
+ atom #5 (C) contains delta 0.69997406005861662 > 0.001
+ Molecule #2: Error: atom #0 (C) contains delta 0.49997711181666293 > 0.001
+ atom #1 (C) contains delta 0.50003623962403765 > 0.001
+ atom #2 (C) contains delta 0.49999427795410245 > 0.001
+ atom #3 (C) contains delta 0.49995422363282671 > 0.001
+ atom #4 (C) contains delta 0.50001335144045189 > 0.001
+ atom #5 (P) contains delta 0.49997329711915484 > 0.001
+ atom #6 (C) contains delta 0.49999427795411577 > 0.001
+ Molecule #3: Error: atom #0 (C) contains delta 0.69997406005859375 > 0.001
+ atom #1 (C) contains delta 0.6999778759501063 > 0.001
+ atom #2 (C) contains delta 0.69997406125284722 > 0.001
+ atom #3 (C) contains delta 0.69997406005859375 > 0.001
+ atom #4 (C) contains delta 0.69997406125284722 > 0.001
+ atom #5 (C) contains delta 0.6999778759501063 > 0.001
+ atom #6 (O) contains delta 0.69997787475585938 > 0.001
Check failure on line 1 in api/c/tests/unit/tests/layout.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
layout.smiles_layout
[FAILED]
Raw output
Diff:
- 932-agents.ket:SUCCEED
+ 932-agents.ket:FAILED
+ ---
+ +++
+ @@ -43,7 +43,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 1.75,
+ + 4.099999904632568,
+ 0.0,
+ 0.0
+ ]
+ @@ -51,7 +51,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 3.25,
+ + 7.500000476837158,
+ 0.0,
+ 0.0
+ ]
+ @@ -59,7 +59,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 14.464101791381836,
+ + 40.44254302978516,
+ 0.0,
+ 0.0
+ ]
+ @@ -67,7 +67,7 @@
+ {
+ "type": "plus",
+ "location": [
+ - 17.878314971923829,
+ + 47.705284118652347,
+ 0.0,
+ 0.0
+ ]
+ @@ -78,12 +78,12 @@
+ "mode": "open-angle",
+ "pos": [
+ {
+ - "x": 5.25,
+ + "x": 12.40000057220459,
+ "y": 0.0,
+ "z": 0.0
+ },
+ {
+ - "x": 13.464101791381836,
+ + "x": 37.14254760742188,
+ "y": 0.0,
+ "z": 0.0
+ }
+ @@ -98,24 +98,24 @@
+ {
+ "label": "C",
+ "location": [
+ - 0.0,
+ - 0.4330127239227295,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 1.0,
+ - 0.4330127239227295,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 0.5,
+ - -0.4330127239227295,
+ + 0.800000011920929,
+ + 0.6928203105926514,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 2.399999856948853,
+ + 0.6928203105926514,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 1.5999999046325684,
+ + -0.6928203105926514,
+ 0.0
+ ]
+ }
+ @@ -150,7 +150,7 @@
+ {
+ "label": "S",
+ "location": [
+ - 2.5,
+ + 5.800000190734863,
+ 0.0,
+ 0.0
+ ]
+ @@ -164,32 +164,32 @@
+ {
+ "label": "C",
+ "location": [
+ - 4.0,
+ - 0.5,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 5.0,
+ - 0.5,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 5.0,
+ - -0.5,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 4.0,
+ - -0.5,
+ + 9.200000762939454,
+ + 0.7999998927116394,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 10.800000190734864,
+ + 0.7999998927116394,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 10.800000190734864,
+ + -0.7999998927116394,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 9.200000762939454,
+ + -0.7999998927116394,
+ 0.0
+ ]
+ }
+ @@ -231,24 +231,24 @@
+ {
+ "label": "C",
+ "location": [
+ - 5.75,
+ - 1.1830127239227296,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 6.616025447845459,
+ - 0.6830127239227295,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 7.482050895690918,
+ - 1.1830127239227296,
+ + 14.000000953674317,
+ + 2.692820310592652,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 15.38564109802246,
+ + 1.8928204774856568,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 16.771282196044927,
+ + 2.692820310592652,
+ 0.0
+ ]
+ }
+ @@ -276,8 +276,8 @@
+ {
+ "label": "C",
+ "location": [
+ - 7.982050895690918,
+ - 0.9330127239227296,
+ + 19.171279907226564,
+ + 2.292820453643799,
+ 0.0
+ ]
+ }
+ @@ -290,8 +290,8 @@
+ {
+ "label": "P",
+ "location": [
+ - 8.482050895690918,
+ - 0.9330127239227296,
+ + 21.571277618408204,
+ + 2.292820453643799,
+ 0.0
+ ]
+ }
+ @@ -304,24 +304,24 @@
+ {
+ "label": "C",
+ "location": [
+ - 8.982050895690918,
+ - 1.1830127239227296,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 9.84807586669922,
+ - 0.6830127239227295,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 10.714101791381836,
+ - 1.1830127239227296,
+ + 23.971275329589845,
+ + 2.692820310592652,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 25.356916427612306,
+ + 1.8928204774856568,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 26.742555618286138,
+ + 2.692820310592652,
+ 0.0
+ ]
+ }
+ @@ -349,24 +349,24 @@
+ {
+ "label": "C",
+ "location": [
+ - 11.214101791381836,
+ - 1.366025447845459,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 12.214101791381836,
+ - 1.366025447845459,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 11.714101791381836,
+ - 0.5,
+ + 29.142553329467778,
+ + 2.98564076423645,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 30.7425537109375,
+ + 2.98564076423645,
+ + 0.0
+ + ]
+ + },
+ + {
+ + "label": "C",
+ + "location": [
+ + 29.94255256652832,
+ + 1.6000001430511477,
+ 0.0
+ ]
+ }
+ @@ -401,8 +401,8 @@
+ {
+ "label": "F",
+ "location": [
+ - 12.714101791381836,
+ - 0.9330127239227296,
+ + 33.14255142211914,
+ + 2.292820453643799,
+ 0.0
+ ]
+ }
+ @@ -415,8 +415,8 @@
+ {
+ "label": "I",
+ "location": [
+ - 13.214101791381836,
+ - 0.9330127239227296,
+ + 35.54254913330078,
+ + 2.292820453643799,
+ 0.0
+ ]
+ }
+ @@ -429,7 +429,7 @@
+ {
+ "label": "S",
+ "location": [
+ - 13.964101791381836,
+ + 38.74254608154297,
+ 0.0,
+ 0.0
+ ]
+ @@ -443,64 +443,64 @@
+ {
+ "label": "C",
+ "location": [
+ - 16.67120933532715,
+ - 1.2071068286895753,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 15.671208381652832,
+ - 1.2071068286895753,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 14.964101791381836,
+ - 0.5,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
+ - 14.964101791381836,
+ - -0.5,
+ - 0.0
+ - ]
+ - },
+ - {
+ - "label": "C",
+ - "location": [
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+ }
+ @@ -570,7 +570,7 @@
+ {
+ "label": "O",
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+ 0.0,
+ 0.0
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Check failure on line 1 in api/cpp/tests/basic/reaction.cpp
github-actions / ubuntu-latest-x86_64-dotnet_test_report
reaction.save_ket_layout_1205
[FAILED]
Raw output
Diff:
- Test passed
+ Difference found:
+ ---
+ +++
+ @@ -1 +1 @@
+ -{"root":{"nodes":[{"$ref":"mol0"},{"$ref":"mol1"},{"$ref":"mol2"},{"$ref":"mol3"},{"type":"arrow","data":{"mode":"open-angle","pos":[{"x":10.515000343322754,"y":-8.324899673461914,"z":0.0},{"x":15.03459930419922,"y":-8.274900436401368,"z":0.0}]}}]},"mol0":{"type":"molecule","atoms":[{"label":"C","location":[7.7846999168396,-7.824999809265137,0.0]},{"label":"C","location":[9.515000343322754,-7.82450008392334,0.0]},{"label":"C","location":[8.65149974822998,-7.324900150299072,0.0]},{"label":"C","location":[9.515000343322754,-8.825400352478028,0.0]},{"label":"C","location":[7.7846999168396,-8.829899787902832,0.0]},{"label":"C","location":[8.65369987487793,-9.324899673461914,0.0]}],"bonds":[{"type":2,"atoms":[2,0]},{"type":2,"atoms":[3,1]},{"type":1,"atoms":[0,4]},{"type":1,"atoms":[1,2]},{"type":2,"atoms":[4,5]},{"type":1,"atoms":[5,3]}]},"mol1":{"type":"molecule","atoms":[{"label":"C","location":[16.03459930419922,-7.775000095367432,0.0]},{"label":"C","location":[17.76499938964844,-7.774499893188477,0.0]},{"label":"C","location":[16.90139961242676,-7.274899959564209,0.0]},{"label":"C","location":[17.76499938964844,-8.775400161743164,0.0]},{"label":"C","location":[16.03459930419922,-8.779899597167969,0.0]},{"label":"C","location":[16.903600692749025,-9.274900436401368,0.0]}],"bonds":[{"type":2,"atoms":[2,0]},{"type":2,"atoms":[3,1]},{"type":1,"atoms":[0,4]},{"type":1,"atoms":[1,2]},{"type":2,"atoms":[4,5]},{"type":1,"atoms":[5,3]}]},"mol2":{"type":"molecule","atoms":[{"label":"Cl","location":[12.974800109863282,-8.824899673461914,0.0]}],"bonds":[]},"mol3":{"type":"molecule","atoms":[{"label":"N","location":[12.549799919128418,-7.724899768829346,0.0]}],"bonds":[]}}
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Check failure on line 1 in rendering
github-actions / ubuntu-latest-x86_64-dotnet_test_report
rendering.sgroups_instrumentation
[FAILED]
Raw output
Diff:
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Check failure on line 1 in standardize
github-actions / ubuntu-latest-x86_64-dotnet_test_report
standardize.basic
[FAILED]
Raw output
Diff:
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+ -4.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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Loading