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b/ketcher-autotests/tests/Indigo-Tools/Layout/layout.spec.ts-snapshots/Indigo-Tools---Layout-Clean-reaction-with-Layout-tool-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts index b4363b4dd3..9960a25755 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts @@ -506,6 +506,11 @@ test.describe('Import-Saving .fasta Files', () => { await chooseFileFormat(page, 'FASTA'); await takeEditorScreenshot(page); + test.fixme( + true, + `That test fails because of https://github.com/epam/Indigo/issues/2435, https://github.com/epam/Indigo/issues/2436 issue.`, + ); + await closeErrorMessage(page); await pressButton(page, 'Cancel'); @@ -538,14 +543,15 @@ test.describe('Import-Saving .fasta Files', () => { await chooseFileFormat(page, 'FASTA'); await takeEditorScreenshot(page); - await closeErrorMessage(page); - - await pressButton(page, 'Cancel'); - await zoomWithMouseWheel(page, 200); test.fixme( true, `That test fails because of https://github.com/epam/Indigo/issues/2435, https://github.com/epam/Indigo/issues/2436 issue.`, ); + + await closeErrorMessage(page); + + await pressButton(page, 'Cancel'); + await zoomWithMouseWheel(page, 200); }, ); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Saving-ambiguous-DNA-bases-with-mapping-mixed-in-FASTA-format-2-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Saving-ambiguous-DNA-bases-with-mapping-mixed-in-FASTA-format-2-chromium-linux.png index 24ade54b1e..40e73376be 100644 Binary files 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b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-idt.spec.ts-snapshots/Import-incorrect-IDT-sequence-7-Doubled-IUBcode-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-sequence.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-sequence.spec.ts index 7b119a69aa..a147e745c0 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-sequence.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-sequence.spec.ts @@ -351,6 +351,11 @@ test.describe('Import-Saving .seq Files', () => { await chooseFileFormat(page, 'Sequence'); await takeEditorScreenshot(page); + test.fixme( + true, + `That test fails because of https://github.com/epam/Indigo/issues/2435, https://github.com/epam/Indigo/issues/2436 issue.`, + ); + await closeErrorMessage(page); await pressButton(page, 'Cancel'); @@ -383,14 +388,15 @@ test.describe('Import-Saving .seq Files', () => { await chooseFileFormat(page, 'Sequence'); await takeEditorScreenshot(page); - await closeErrorMessage(page); - - await pressButton(page, 'Cancel'); - await zoomWithMouseWheel(page, 200); test.fixme( true, `That test fails because of https://github.com/epam/Indigo/issues/2435, https://github.com/epam/Indigo/issues/2436 issue.`, ); + + await closeErrorMessage(page); + + await pressButton(page, 'Cancel'); + await zoomWithMouseWheel(page, 200); }, ); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-sequence.spec.ts-snapshots/Import-Saving-seq-Files-Saving-ambiguous-DNA-bases-with-mapping-mixed-in-Sequence-format-2-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-sequence.spec.ts-snapshots/Import-Saving-seq-Files-Saving-ambiguous-DNA-bases-with-mapping-mixed-in-Sequence-format-2-chromium-linux.png index 24ade54b1e..40e73376be 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b/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-1-dec-f1e79-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-108cc-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png b/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-108cc-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png index 10c185bdab..56674c1e09 100644 Binary files a/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-108cc-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png and 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b/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-821c7-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-954ba-on-the-setting-Reaction-component-margin-size-2-chromium-linux.png b/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-954ba-on-the-setting-Reaction-component-margin-size-2-chromium-linux.png index 0369babfa4..ad6efe87c0 100644 Binary files a/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-954ba-on-the-setting-Reaction-component-margin-size-2-chromium-linux.png and b/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-954ba-on-the-setting-Reaction-component-margin-size-2-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-c6f55-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png b/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-c6f55-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png index 46a1428829..0edc6a4f7b 100644 Binary files a/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-c6f55-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png and b/ketcher-autotests/tests/Settings/General/default-settings-verification.spec.ts-snapshots/General-Settings-Verify-value-with-up-to-2-dec-c6f55-in-the-setting-Reaction-component-margin-size-2-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Structure-Creating-&-Editing/Actions-With-Structures/Layout/layout-tool.spec.ts-snapshots/Layout-The-reaction-is-displayed-in-the-middle-of-the-screen-after-clicks-Layout-button-1-chromium-linux.png b/ketcher-autotests/tests/Structure-Creating-&-Editing/Actions-With-Structures/Layout/layout-tool.spec.ts-snapshots/Layout-The-reaction-is-displayed-in-the-middle-of-the-screen-after-clicks-Layout-button-1-chromium-linux.png index f441094380..5058ac8ee6 100644 Binary files a/ketcher-autotests/tests/Structure-Creating-&-Editing/Actions-With-Structures/Layout/layout-tool.spec.ts-snapshots/Layout-The-reaction-is-displayed-in-the-middle-of-the-screen-after-clicks-Layout-button-1-chromium-linux.png and b/ketcher-autotests/tests/Structure-Creating-&-Editing/Actions-With-Structures/Layout/layout-tool.spec.ts-snapshots/Layout-The-reaction-is-displayed-in-the-middle-of-the-screen-after-clicks-Layout-button-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-pt-bond-lengh.cdxml b/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-pt-bond-lengh.cdxml index 65bbf93cbe..3c9d68437b 100644 --- a/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-pt-bond-lengh.cdxml +++ b/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-pt-bond-lengh.cdxml @@ -18,34 +18,34 @@ - - + + OH - - - - - - - - + + + + + + + + O - - + + OH - - + + OH - - + + OH @@ -59,46 +59,46 @@ - - + + Chiral - - - + + + O - - - - - + + + + + OH - - - + + + OH - - - + + + N - - + + O - - + + NH 2 @@ -116,40 +116,40 @@ - - + + Chiral - - + + N - - + + N - - + + N - - + + N - - + + N - - + + N @@ -161,11 +161,11 @@ - - - - - + + + + + @@ -173,20 +173,20 @@ - - - - - - - - - - - - - - + + + + + + + + + + + + + + @@ -203,8 +203,8 @@ - - + + diff --git a/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-px-margin-size.cdxml b/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-px-margin-size.cdxml index ea9420f6e9..ad358571d7 100644 --- a/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-px-margin-size.cdxml +++ b/ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-px-margin-size.cdxml @@ -18,34 +18,34 @@ - - + + OH - - - - - - - - + + + + + + + + O - - + + OH - - + + OH - - + + OH @@ -59,46 +59,46 @@ - - + + Chiral - - - + + + O - - - - - + + + + + OH - - - + + + OH - - - + + + N - - + + O - - + + NH 2 @@ -116,40 +116,40 @@ - - + + Chiral - - + + N - - + + N - - + + N - - + + N - - + + N - - + + N @@ -161,11 +161,11 @@ - - - - - + + + + + @@ -173,20 +173,20 @@ - - - - - - - - - - - - - - + + + + + + + + + + + + + + @@ -203,8 +203,8 @@ - - + + diff --git a/ketcher-autotests/tests/test-data/CDXML/layout-with-dif-elements-acs-style.cdxml b/ketcher-autotests/tests/test-data/CDXML/layout-with-dif-elements-acs-style.cdxml index 8a28555bf8..4b01252007 100644 --- a/ketcher-autotests/tests/test-data/CDXML/layout-with-dif-elements-acs-style.cdxml +++ b/ketcher-autotests/tests/test-data/CDXML/layout-with-dif-elements-acs-style.cdxml @@ -18,107 +18,107 @@ - - + + OH 2 - - + + OH 2 - - + + NH 3 - - + + NH 3 - - + + H - - + + H - - + + FH - - + + FH - - + + FH - - + + FH - - + + Br - - + + Br - - + + Br - - + + Br - - + + Br - - + + Br @@ -130,22 +130,22 @@ - - - + + + - - - - - - - - - + + + + + + + + + diff --git a/ketcher-autotests/tests/test-data/CML/layout-with-catalyst-px-bond-lengh.cml b/ketcher-autotests/tests/test-data/CML/layout-with-catalyst-px-bond-lengh.cml index 5aeb6ce86c..bfb27799f1 100644 --- a/ketcher-autotests/tests/test-data/CML/layout-with-catalyst-px-bond-lengh.cml +++ b/ketcher-autotests/tests/test-data/CML/layout-with-catalyst-px-bond-lengh.cml @@ -4,23 +4,23 @@ - - - + + + 1 - + 1 - + 1 - - - - - - + + + + + + @@ -45,24 +45,24 @@ - + 1 - - + + 1 - + 1 - - - - - - - - + + + + + + + + @@ -90,20 +90,20 @@ - - - - - - - - - - - - - - + + + + + + + + + + + + + + @@ -141,12 +141,12 @@ - - - - - - + + + + + + @@ -165,11 +165,11 @@ - - - - - + + + + + diff --git a/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-acs-style.cml b/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-acs-style.cml index f30f0eb04d..fcd6810fc4 100644 --- a/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-acs-style.cml +++ b/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-acs-style.cml @@ -4,32 +4,32 @@ - + - + - + - + - - - - - - + + + + + + @@ -44,29 +44,29 @@ - + - + - + - + - - - + + + @@ -78,12 +78,12 @@ - + - + diff --git a/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-cm-margin-size.cml b/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-cm-margin-size.cml index c2eb4ad806..76d1453c2e 100644 --- a/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-cm-margin-size.cml +++ b/ketcher-autotests/tests/test-data/CML/layout-with-dif-elements-cm-margin-size.cml @@ -4,32 +4,32 @@ - + - + - + - + - - - - - - + + + + + + @@ -44,29 +44,29 @@ - + - + - + - + - - - + + + @@ -78,12 +78,12 @@ - + - + diff --git a/ketcher-autotests/tests/test-data/KET/layout-with-catalyst-px-bond-lengh.ket b/ketcher-autotests/tests/test-data/KET/layout-with-catalyst-px-bond-lengh.ket index 25be08dd22..d56275a772 100644 --- a/ketcher-autotests/tests/test-data/KET/layout-with-catalyst-px-bond-lengh.ket +++ b/ketcher-autotests/tests/test-data/KET/layout-with-catalyst-px-bond-lengh.ket @@ -22,13 +22,13 @@ "mode": "open-angle", "pos": [ { - "x": 3.6897474037181235, - "y": -6.2264745810936235, + "x": 4.736112580615376, + "y": -6.293948557870145, "z": 0 }, { - "x": 10.077891503357092, - "y": -6.2264745810936235, + "x": 9.259207925766566, + "y": -6.2939486770794275, "z": 0 } ] @@ -37,8 +37,8 @@ { "type": "plus", "location": [ - 17.657587922162563, - -6.2264745810936235, + 16.528696792037415, + -6.2939486770794275, 0 ], "prop": {} @@ -53,24 +53,24 @@ { "label": "O", "location": [ - -3.2184503300691447, - -5.976475035101574, + -1.7395602123111873, + -6.0439488704081, 0 ] }, { "label": "C", "location": [ - -2.352425100629241, - -6.476474946649565, + -0.8735349637578973, + -6.5439488413786036, 0 ] }, { "label": "C", "location": [ - -1.4863999829480505, - -5.97647473707834, + -0.007509685402286692, + -6.043948512780252, 0 ], "stereoLabel": "abs" @@ -78,8 +78,8 @@ { "label": "C", "location": [ - -0.6203745672436263, - -6.476474648626332, + 0.8585157121626064, + -6.543948602960038, 0 ], "stereoLabel": "abs" @@ -87,8 +87,8 @@ { "label": "C", "location": [ - 0.245650848460798, - -5.97647473707834, + 1.7245413481460652, + -6.043948512780252, 0 ], "stereoLabel": "abs" @@ -96,48 +96,48 @@ { "label": "C", "location": [ - 1.1116762641652222, - -6.47647472313214, + 2.5905667457109587, + -6.543948602960038, 0 ] }, { "label": "C", "location": [ - 1.977701083823181, - -5.976474588066724, + 3.4565916664387206, + -6.043948274361687, 0 ] }, { "label": "O", "location": [ - 2.843726797550837, - -6.4764742760972895, + 4.3226180176778755, + -6.54394824533219, 0 ] }, { "label": "O", "location": [ - 0.245650848460798, - -4.976474615959125, + 1.7245413481460652, + -5.0439485708392455, 0 ] }, { "label": "O", "location": [ - -0.6203745672436263, - -7.476474546228122, + 0.8585157121626064, + -7.543948544901045, 0 ] }, { "label": "O", "location": [ - -1.4864002809712837, - -4.9764747649707415, + -0.007509923820852027, + -5.04394880925781, 0 ] } @@ -218,8 +218,8 @@ } ], "stereoFlagPosition": { - "x": 2.843726797550837, - "y": 3.9764746159591247, + "x": 4.3226180176778755, + "y": 4.0439485708392455, "z": 0 } }, @@ -229,8 +229,8 @@ { "label": "C", "location": [ - 13.984368124890382, - -7.212809293883437, + 12.868105879079367, + -7.280283420534037, 0 ], "stereoLabel": "abs" @@ -238,16 +238,16 @@ { "label": "O", "location": [ - 13.006220110320088, - -7.420721104795215, + 11.889958429155762, + -7.488195317089437, 0 ] }, { "label": "C", "location": [ - 12.506220571301137, - -6.55469568909079, + 11.389958458185257, + -6.622169800315262, 0 ], "stereoLabel": "abs" @@ -255,8 +255,8 @@ { "label": "C", "location": [ - 13.17535067941956, - -5.8115508404231, + 12.059088744653607, + -5.879024854447839, 0 ], "stereoLabel": "abs" @@ -264,64 +264,64 @@ { "label": "C", "location": [ - 14.088895601654889, - -6.218287584850872, + 12.972634300134576, + -6.2857615623623495, 0 ] }, { "label": "O", "location": [ - 12.967438943013589, - -4.833403272887656, + 11.851177265330696, + -4.900877285314949, 0 ] }, { "label": "C", "location": [ - 11.511697968198872, - -6.450167094739157, + 10.395436421199646, + -6.5176412600507705, 0 ] }, { "label": "O", "location": [ - 10.923912705570846, - -7.259183646140281, + 9.8076507345007, + -7.326657679220836, 0 ] }, { "label": "C", "location": [ - 15.567043155244134, - -6.87640111513771, + 14.450781721028687, + -6.943875242185767, 0 ] }, { "label": "N", "location": [ - 14.897913047125714, - -7.619545889299591, + 13.781651434560338, + -7.687020068843906, 0 ] }, { "label": "O", "location": [ - 15.067043616225186, - -6.010375848444902, + 13.950781750058184, + -6.077849844620873, 0 ] }, { "label": "N", "location": [ - 16.561565758346397, - -6.98092978399515, + 15.445303758014301, + -7.048403842054899, 0 ] } @@ -423,8 +423,8 @@ } ], "stereoFlagPosition": { - "x": 16.561565758346397, - "y": 3.833403272887656, + "x": 15.445303758014301, + "y": 3.900877285314949, "z": 0 } }, @@ -434,48 +434,48 @@ { "label": "N", "location": [ - 5.401793723613068, - -3.380454030711139, + 6.0156330179549, + -3.312979838367888, 0 ] }, { "label": "N", "location": [ - 4.535768605931876, - -4.8804538398609205, + 5.1496076203900065, + -4.812979751279398, 0 ] }, { "label": "N", "location": [ - 4.535768605931876, - -3.880453867753322, + 5.149607143552877, + -3.8129798093383913, 0 ] }, { "label": "N", "location": [ - 5.401794319659533, - -5.380453825914721, + 6.0156330179549, + -5.312979841459184, 0 ] }, { "label": "N", "location": [ - 6.267819437340725, - -3.8804540167649386, + 6.881657938682663, + -3.8129798093383913, 0 ] }, { "label": "N", "location": [ - 6.267819437340725, - -4.880453690849304, + 6.881657938682663, + -4.812979751279398, 0 ] } @@ -525,8 +525,8 @@ } ], "stereoFlagPosition": { - "x": 6.267819437340725, - "y": 2.380454030711139, + "x": 6.881657938682663, + "y": 2.312979838367888, "z": 0 } }, @@ -536,40 +536,40 @@ { "label": "C", "location": [ - 8.422856431951317, - -3.6110331162207987, + 8.104170112883056, + -3.543558724364254, 0 ] }, { "label": "C", "location": [ - 7.922855700839435, - -5.149874516887635, + 7.604170141912551, + -5.08240059783497, 0 ] }, { "label": "C", "location": [ - 7.613838986480497, - -4.198818080825593, + 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b/ketcher-autotests/tests/test-data/KET/layout-with-diagonally-arrow-pt-bond-lengh.ket index 5e872563d3..66e5a1fa76 100644 --- a/ketcher-autotests/tests/test-data/KET/layout-with-diagonally-arrow-pt-bond-lengh.ket +++ b/ketcher-autotests/tests/test-data/KET/layout-with-diagonally-arrow-pt-bond-lengh.ket @@ -22,12 +22,12 @@ "mode": "open-angle", "pos": [ { - "x": 21.23799925241123, - "y": -9.121621531409188, + "x": 22.0282810045535, + "y": -9.121621650618478, "z": 0 }, { - "x": 25.39626182279678, + "x": 25.308859634979996, "y": -9.121621531409188, "z": 0 } @@ -37,7 +37,7 @@ { "type": "plus", "location": [ - 8.950991177522907, + 9.468970025829018, -9.121621531409188, 0 ], @@ -53,16 +53,16 @@ { "label": "N", "location": [ - 5.995277165475803, - -8.200521294274933, + 6.442392537324492, + -8.200521267768046, 0 ] }, { "label": "C", "location": [ - 5.787365467467781, - -9.17866868116228, + 6.234480568006684, + -9.1786686603847, 0 ], "stereoLabel": "abs" @@ -70,104 +70,104 @@ { "label": "C", 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-43,13 +43,13 @@ "mode": "open-angle", "pos": [ { - "x": 10.322732921917463, - "y": -9.071456623077394, + "x": 11.274000474969654, + "y": -9.168956470489503, "z": 0 }, { - "x": 20.401480202378238, - "y": -9.071456623077394, + "x": 20.132736788242433, + "y": -9.168956470489503, "z": 0 } ] @@ -58,8 +58,8 @@ { "type": "plus", "location": [ - -18.702624466641268, - -9.071456623077394, + -16.94635007436447, + -9.168956470489503, 0 ], "prop": {} @@ -67,8 +67,8 @@ { "type": "plus", "location": [ - -11.816798469566052, - -9.071456623077394, + -10.175524266958863, + -9.168956470489503, 0 ], "prop": {} @@ -76,8 +76,8 @@ { "type": "plus", "location": [ - -4.930971876444389, - -9.071456623077394, + -3.4046982211347228, + -9.168956470489503, 0 ], "prop": {} @@ -85,8 +85,8 @@ { "type": "plus", "location": [ - 1.9548535245843794, - -9.071456623077394, + 3.3661249636670014, + -9.168956470489503, 0 ], "prop": {} @@ -94,8 +94,8 @@ { "type": "plus", "location": [ - 27.037308225813703, - -9.071456623077394, + 26.308558861974134, + -9.168956470489503, 0 ], "prop": {} @@ -103,8 +103,8 @@ { "type": "plus", "location": [ - 33.92314197149275, - -9.071456623077394, + 32.884386202578234, + -9.168956470489503, 0 ], "prop": {} @@ -112,8 +112,8 @@ { "type": "plus", "location": [ - 40.80897571717178, - -9.071456623077394, + 39.460205913789224, + -9.168956470489503, 0 ], "prop": {} @@ -121,8 +121,8 @@ { "type": "plus", "location": [ - 47.694809462850834, - -9.071456623077394, + 46.03603325439333, + -9.168956470489503, 0 ], "prop": {} @@ -137,15 +137,15 @@ { "label": "O", "location": [ - -22.14553787496081, - -9.071456623077394, + -20.136763378777736, + -9.168956470489503, 0 ] } ], "stereoFlagPosition": { - "x": -22.14553787496081, - "y": 8.071456623077394, + "x": -20.136763378777736, + "y": 8.168956470489503, "z": 0 } }, @@ -155,15 +155,15 @@ { "label": "O", "location": [ - -15.259711170080436, - -9.071456623077394, + -13.36593715413969, + -9.168956470489503, 0 ] } ], "stereoFlagPosition": { - "x": -15.259711170080436, - "y": 8.071456623077394, + "x": -13.36593715413969, + "y": 8.168956470489503, "z": 0 } }, @@ -173,15 +173,15 @@ { "label": "N", "location": [ - -8.37388517300522, - -9.071456623077394, + -6.985111379778036, + -9.168956470489503, 0 ] } ], "stereoFlagPosition": { - "x": -8.37388517300522, - "y": 8.071456623077394, + "x": -6.985111379778036, + "y": 8.168956470489503, "z": 0 } }, @@ -191,15 +191,15 @@ { "label": "N", "location": [ - -1.4880585798835533, - -9.071456623077394, + -0.2142862876280347, + -9.168956470489503, 0 ] } ], "stereoFlagPosition": { - "x": -1.4880585798835533, - "y": 8.071456623077394, + "x": -0.2142862876280347, + "y": 8.168956470489503, "z": 0 } }, @@ -209,15 +209,15 @@ { "label": "H", "location": [ - 13.515646456699194, - -5.878543088295659, + 14.064412863648776, + -5.78104362923616, 0 ] } ], "stereoFlagPosition": { - "x": 13.515646456699194, - "y": 4.878543088295659, + "x": 14.064412863648776, + "y": 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36.26979588763081, + -9.168956470489503, 0 ] } ], "stereoFlagPosition": { - "x": 37.366058844332265, - "y": 8.071456623077394, + "x": 36.26979588763081, + "y": 8.168956470489503, "z": 0 } }, @@ -299,15 +299,15 @@ { "label": "F", "location": [ - 44.2518925900113, - -9.071456623077394, + 42.845619413538365, + -9.168956470489503, 0 ] } ], "stereoFlagPosition": { - "x": 44.2518925900113, - "y": 8.071456623077394, + "x": 42.845619413538365, + "y": 8.168956470489503, "z": 0 } }, @@ -317,48 +317,48 @@ { "label": "Br", "location": [ - 6.263792508094021, - -8.071456458373914, + 7.520062491732112, + -8.168956654746433, 0 ] }, { "label": "Br", "location": [ - 5.397768013238107, - -9.571456742682036, + 6.654036726620777, + -9.668956378361038, 0 ] }, { "label": "Br", "location": [ - 5.397768013238107, - -8.571456577978557, + 6.654036726620777, + -8.668956562617968, 0 ] }, { "label": "Br", "location": [ - 6.263792508094021, - -10.071456787780873, + 7.520062491732112, + -10.168956286232573, 0 ] }, { "label": "Br", "location": [ - 7.129819387135726, - -8.571456726990169, + 8.38608825684345, + -8.668956681827236, 0 ] }, { "label": "Br", "location": [ - 7.129819387135726, - -9.571456593670424, + 8.38608825684345, + -9.66895625915177, 0 ] } @@ -408,8 +408,8 @@ } ], "stereoFlagPosition": { - "x": 7.129819387135726, - "y": 7.071456458373914, + "x": 8.38608825684345, + "y": 7.168956654746434, "z": 0 } }, @@ -419,24 +419,24 @@ { "label": "C", "location": [ - 51.63772824343433, - -8.638443854108795, + 49.62895098836931, + -8.735943826352369, 0 ] }, { "label": "C", "location": [ - 51.13772633569035, - -9.504469392045992, + 49.12895108049777, + -9.601969114626637, 0 ] }, { "label": "C", "location": [ - 52.13772538280674, - -9.50446924303438, + 50.12895089624085, + -9.60196899541737, 0 ] } @@ -465,8 +465,8 @@ } ], "stereoFlagPosition": { - "x": 52.13772538280674, - "y": 7.638443854108795, + "x": 50.12895089624085, + "y": 7.7359438263523685, "z": 0 } } diff --git a/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-bond-lengh.ket b/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-bond-lengh.ket index 2518e49518..7dd732cb1e 100644 --- a/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-bond-lengh.ket +++ b/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-bond-lengh.ket @@ -16,13 +16,13 @@ "mode": "dashed-open-angle", "pos": [ { - "x": 4.241179029189405, - "y": -2.3352600274058437, + "x": 3.351362813093374, + "y": -2.3352600584140433, "z": 0 }, { - "x": 6.241178314389229, - "y": -2.3352600274058437, + "x": 6.5513646169791055, + "y": -2.3352599392047506, "z": 0 } ] @@ -31,8 +31,8 @@ { "type": "plus", "location": [ - -0.7815649123080677, - -2.3352600274058437, + -0.8815655784110668, + -2.3352600584140433, 0 ], "prop": {} @@ -47,48 +47,48 @@ { "label": "N", "location": [ - -7.7480635198018595, - -2.085260563790702, + -7.588342380278979, + -2.0852605284330963, 0 ] }, { 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+ -1.3653523905514346, 0 ] }, { "label": "C", "location": [ - 2.720832625721153, - -2.8352601467290235, + 2.300924857199238, + -2.8653526698787317, 0 ] }, { "label": "C", "location": [ - 2.720832625721153, - -1.835260131600082, + 2.300924857199238, + -1.8653526426062572, 0 ] }, { "label": "O", "location": [ - 3.5868583121824553, - -1.3352604593117383, + 3.166949851826182, + -1.3653529865978986, 0 ] } @@ -325,8 +325,8 @@ } ], "stereoFlagPosition": { - "x": 3.5868583121824553, - "y": 0.33525986326529056, + "x": 3.166949851826182, + "y": 0.36535239055143465, "z": 0 } }, @@ -336,144 +336,144 @@ { "label": "C", "location": [ - 7.761524717857483, - -3.585260176702181, + 7.6018035265475845, + -3.5852600925046363, 0 ] }, { "label": "C", "location": [ - 7.761524717857483, - -2.5852600870674336, + 7.6018035265475845, + -2.585259946022869, 0 ] }, { "label": "C", "location": [ - 8.62754921222589, - -2.085259967744254, + 8.467829474848871, + -2.0852598131773394, 0 ] }, { "label": "C", "location": [ 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"location": [ - 14.689727825362102, - -2.5852599380558217, + 14.53000539091183, + -2.5852598268135765, 0 ] }, { "label": "O", "location": [ - 12.957676452439497, - -3.585260027690569, + 12.797955401657935, + -3.5852598540860505, 0 ] }, { "label": "O", "location": [ - 8.62754921222589, - -1.0852598781095069, + 8.467827567500189, + -1.085259785904865, 0 ] }, { "label": "N", "location": [ - 9.49357489868719, - -3.585260027690569, + 9.333853515801474, + -3.5852598540860505, 0 ] }, { "label": "N", "location": [ - 10.359600585148488, - -1.0852598781095069, + 10.199879464102759, + -1.085259785904865, 0 ] }, { "label": "N", "location": [ - 11.225625079516895, - -3.585260176702181, + 11.065905412404051, + -3.5852599732953436, 0 ] }, { "label": "N", "location": [ - 12.091649573885306, - -1.0852598781095069, + 11.931929453356654, + -1.085259785904865, 0 ] } @@ -600,8 +600,8 @@ } ], "stereoFlagPosition": { - "x": 14.689727825362102, - "y": 0.08525987810950664, + "x": 14.53000539091183, + "y": 0.08525978590486494, "z": 0 } } diff --git a/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-margin-size.ket b/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-margin-size.ket index bc1e41ce48..ae41e1e247 100644 --- a/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-margin-size.ket +++ b/ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-margin-size.ket @@ -16,13 +16,13 @@ "mode": "dashed-open-angle", "pos": [ { - "x": 29.584248627615423, + "x": 28.82924717230688, "y": -8.437499952316285, "z": 0 }, { - "x": 31.58425142836512, - "y": -8.437499952316285, + "x": 32.029247828588666, + "y": -8.437500011920928, "z": 0 } ] @@ -31,7 +31,7 @@ { "type": "plus", "location": [ - -3.2098540065188033, + -3.3098565996199625, -8.437499952316285, 0 ], @@ -47,48 +47,48 @@ { "label": "N", "location": [ - -24.06203003691459, - -8.187500496292218, + -24.10453507140914, + -8.187500437486056, 0 ] }, { "label": "C", "location": [ - 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-7.187499993979425, 0 ] }, { "label": "O", "location": [ - -17.999852688186735, - -8.687500078892585, + -18.04235809222071, + -8.687499943983656, 0 ] } @@ -193,8 +193,8 @@ } ], "stereoFlagPosition": { - "x": -17.999852688186735, - "y": 6.187499989987017, + "x": -18.04235809222071, + "y": 6.187499993979425, "z": 0 } }, @@ -204,64 +204,64 @@ { "label": "N", "location": [ - 12.446170931360541, - -8.937500056457278, + 12.093667285776398, + -9.03500001823199, 0 ] }, { "label": "C", "location": [ - 12.446170931360541, - -7.937500071692703, + 12.093667285776398, + -8.035000051562502, 0 ] }, { "label": "C", "location": [ - 13.31219778361838, - -9.437500086092468, + 12.959695088942496, + -9.535000001566734, 0 ] }, { "label": "N", "location": [ - 13.31219778361838, - -7.437500116563317, + 12.959695088942496, + -7.535000068227758, 0 ] }, { "label": "O", "location": [ - 11.580146463288422, - -7.437499818540102, + 11.227643297307438, + -7.534999829809187, 0 ] }, { "label": "C", "location": [ - 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a/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-catalyst-px-margin-size.rxn b/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-catalyst-px-margin-size.rxn index ffd2f32103..c2544f939c 100644 --- a/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-catalyst-px-margin-size.rxn +++ b/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-catalyst-px-margin-size.rxn @@ -1,24 +1,24 @@ $RXN - -INDIGO- 1011241337 + -INDIGO- 1022241117 1 2 2 $MOL - -INDIGO-10112413372D + -INDIGO-10222411172D 11 10 0 0 1 0 0 0 0 0999 V2000 - -1.5751 -8.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7091 -9.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.1570 -8.8760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 1.0230 -9.3760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 1.8890 -8.8760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 2.7550 -9.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.6211 -8.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.4871 -9.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8890 -7.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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0 0 0 0 0 0 - 19.9772 -9.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.8557 -7.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 17.4000 -9.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.8122 -10.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 21.4553 -9.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.7862 -10.5190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 20.9553 -8.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 22.4498 -9.8804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7714 -10.2098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 17.7932 -10.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17.2932 -9.5517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 17.9624 -8.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 18.8759 -9.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7544 -7.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 16.2987 -9.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.7109 -10.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 20.3540 -9.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.6849 -10.6165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 19.8540 -9.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 21.3486 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0 0 0 0 0 0 0 0 + 25.0261 -9.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.5261 -10.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 26.5261 -10.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 27.0261 -9.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 27.0261 -7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 28.0261 -7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 28.5261 -8.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 28.0261 -9.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 28.5261 -10.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.5261 -10.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 30.0261 -9.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.5261 -8.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 @@ -98,15 +98,15 @@ $MOL M END $MOL - -INDIGO-10112413372D + -INDIGO-10222411172D 6 6 0 0 0 0 0 0 0 0999 V2000 - 8.7431 -5.4310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 7.8771 -6.9310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 7.8771 -5.9310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 8.7431 -7.4310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 9.6091 -5.9310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 9.6091 -6.9310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2519 -5.3335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3858 -6.8335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3858 -5.8335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2519 -7.3335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1179 -5.8335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1179 -6.8335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 @@ -116,14 +116,14 @@ $MOL M END $MOL - -INDIGO-10112413372D + -INDIGO-10222411172D 5 5 0 0 0 0 0 0 0 0999 V2000 - 12.6132 -5.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.1132 -7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.8041 -6.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1132 -7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.4222 -6.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2194 -5.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7194 -7.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4104 -6.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7194 -7.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0284 -6.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 5 4 2 0 0 0 0 4 2 1 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-long-molecule-acs-style.rxn b/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-long-molecule-acs-style.rxn index 6a1566261c..8233f28e76 100644 --- a/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-long-molecule-acs-style.rxn +++ b/ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-long-molecule-acs-style.rxn @@ -1,23 +1,23 @@ $RXN - -INDIGO- 1010241427 + -INDIGO- 1022241117 2 1 $MOL - -INDIGO-10102414272D + -INDIGO-10222411172D 10 9 0 0 1 0 0 0 0 0999 V2000 - 20.2479 -16.9605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 21.1139 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 21.9800 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.8460 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.7120 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 24.5780 -17.4605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 24.5780 -18.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 25.4441 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 25.4441 -15.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.3101 -17.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 19.8729 -16.9605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 20.7389 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.6050 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.4710 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.3370 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.2030 -17.4605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 24.2030 -18.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 25.0691 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.0691 -15.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 25.9351 -17.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -30,17 +30,17 @@ $MOL M END $MOL - -INDIGO-10102414272D + -INDIGO-10222411172D 8 8 0 0 0 0 0 0 0 0999 V2000 - 28.8983 -17.7105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 28.8983 -16.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7644 -18.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7644 -16.2105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 28.0323 -16.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 30.6304 -17.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 30.6304 -16.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 31.4964 -16.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 28.6567 -17.9189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 28.6567 -16.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.5227 -18.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.5227 -16.4189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 27.7906 -16.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 30.3887 -17.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 30.3887 -16.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 31.2547 -16.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 @@ -52,27 +52,27 @@ $MOL M END $MOL - -INDIGO-10102414272D + -INDIGO-10222411172D 18 17 0 0 0 0 0 0 0 0999 V2000 - 35.5847 -18.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 35.5847 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 36.4507 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 37.3167 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 38.1827 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 39.0488 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 39.9148 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 40.7808 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 41.6468 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 41.6468 -15.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 34.7186 -16.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 42.5129 -17.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 40.7808 -18.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 36.4507 -15.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 37.3167 -18.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 38.1827 -15.9605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 39.0488 -18.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 39.9148 -15.9605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 35.9597 -18.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 35.9597 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 36.8257 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 37.6917 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 38.5577 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 39.4238 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 40.2898 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 41.1558 -17.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 42.0218 -16.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 42.0218 -15.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 35.0936 -16.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 42.8879 -17.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 41.1558 -18.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 36.8257 -15.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 37.6917 -18.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 38.5577 -15.9605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 39.4238 -18.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 40.2898 -15.9605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-acs-style.rxn b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-acs-style.rxn index db29526210..999e27be45 100644 --- a/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-acs-style.rxn +++ b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-acs-style.rxn @@ -1,22 +1,22 @@ $RXN V3000 - -INDIGO- 1011241344 + -INDIGO- 1022241118 M V30 COUNTS 2 1 M V30 BEGIN REACTANT M V30 BEGIN CTAB M V30 COUNTS 10 9 0 0 0 M V30 BEGIN ATOM -M V30 1 N 20.2479 -16.9605 0.0 0 -M V30 2 C 21.1139 -17.4605 0.0 0 -M V30 3 C 21.98 -16.9605 0.0 0 -M V30 4 C 22.846 -17.4605 0.0 0 -M V30 5 C 23.712 -16.9605 0.0 0 -M V30 6 C 24.578 -17.4605 0.0 0 CFG=2 -M V30 7 N 24.578 -18.4605 0.0 0 -M V30 8 C 25.4441 -16.9605 0.0 0 -M V30 9 O 25.4441 -15.9605 0.0 0 -M V30 10 O 26.3101 -17.4605 0.0 0 +M V30 1 N 19.8729 -16.9605 0.0 0 +M V30 2 C 20.7389 -17.4605 0.0 0 +M V30 3 C 21.605 -16.9605 0.0 0 +M V30 4 C 22.471 -17.4605 0.0 0 +M V30 5 C 23.337 -16.9605 0.0 0 +M V30 6 C 24.203 -17.4605 0.0 0 CFG=2 +M V30 7 N 24.203 -18.4605 0.0 0 +M V30 8 C 25.0691 -16.9605 0.0 0 +M V30 9 O 25.0691 -15.9605 0.0 0 +M V30 10 O 25.9351 -17.4605 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 @@ -36,14 +36,14 @@ M V30 END CTAB M V30 BEGIN CTAB M V30 COUNTS 8 8 0 0 0 M V30 BEGIN ATOM -M V30 1 N 28.8983 -17.7105 0.0 0 -M V30 2 C 28.8983 -16.7105 0.0 0 -M V30 3 C 29.7644 -18.2105 0.0 0 -M V30 4 N 29.7644 -16.2105 0.0 0 -M V30 5 O 28.0323 -16.2105 0.0 0 -M V30 6 C 30.6304 -17.7105 0.0 0 -M V30 7 C 30.6304 -16.7105 0.0 0 -M V30 8 O 31.4964 -16.2105 0.0 0 +M V30 1 N 28.6567 -17.9189 0.0 0 +M V30 2 C 28.6567 -16.9189 0.0 0 +M V30 3 C 29.5227 -18.4189 0.0 0 +M V30 4 N 29.5227 -16.4189 0.0 0 +M V30 5 O 27.7906 -16.4189 0.0 0 +M V30 6 C 30.3887 -17.9189 0.0 0 +M V30 7 C 30.3887 -16.9189 0.0 0 +M V30 8 O 31.2547 -16.4189 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 @@ -61,24 +61,24 @@ M V30 BEGIN PRODUCT M V30 BEGIN CTAB M V30 COUNTS 18 17 0 0 0 M V30 BEGIN ATOM -M V30 1 C 35.5847 -18.4605 0.0 0 -M V30 2 C 35.5847 -17.4605 0.0 0 -M V30 3 C 36.4507 -16.9605 0.0 0 -M V30 4 C 37.3167 -17.4605 0.0 0 -M V30 5 C 38.1827 -16.9605 0.0 0 -M V30 6 C 39.0488 -17.4605 0.0 0 -M V30 7 C 39.9148 -16.9605 0.0 0 -M V30 8 C 40.7808 -17.4605 0.0 0 -M V30 9 C 41.6468 -16.9605 0.0 0 -M V30 10 C 41.6468 -15.9605 0.0 0 -M V30 11 O 34.7186 -16.9605 0.0 0 -M V30 12 O 42.5129 -17.4605 0.0 0 -M V30 13 O 40.7808 -18.4605 0.0 0 -M V30 14 O 36.4507 -15.9605 0.0 0 -M V30 15 N 37.3167 -18.4605 0.0 0 -M V30 16 N 38.1827 -15.9605 0.0 0 -M V30 17 N 39.0488 -18.4605 0.0 0 -M V30 18 N 39.9148 -15.9605 0.0 0 +M V30 1 C 35.9597 -18.4605 0.0 0 +M V30 2 C 35.9597 -17.4605 0.0 0 +M V30 3 C 36.8257 -16.9605 0.0 0 +M V30 4 C 37.6917 -17.4605 0.0 0 +M V30 5 C 38.5577 -16.9605 0.0 0 +M V30 6 C 39.4238 -17.4605 0.0 0 +M V30 7 C 40.2898 -16.9605 0.0 0 +M V30 8 C 41.1558 -17.4605 0.0 0 +M V30 9 C 42.0218 -16.9605 0.0 0 +M V30 10 C 42.0218 -15.9605 0.0 0 +M V30 11 O 35.0936 -16.9605 0.0 0 +M V30 12 O 42.8879 -17.4605 0.0 0 +M V30 13 O 41.1558 -18.4605 0.0 0 +M V30 14 O 36.8257 -15.9605 0.0 0 +M V30 15 N 37.6917 -18.4605 0.0 0 +M V30 16 N 38.5577 -15.9605 0.0 0 +M V30 17 N 39.4238 -18.4605 0.0 0 +M V30 18 N 40.2898 -15.9605 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 diff --git a/package-lock.json b/package-lock.json index f5cb6d4b97..928e0e910c 100644 --- a/package-lock.json +++ b/package-lock.json @@ -15625,9 +15625,9 @@ } }, "node_modules/indigo-ketcher": { - "version": "1.26.0-dev.1", - "resolved": "https://registry.npmjs.org/indigo-ketcher/-/indigo-ketcher-1.26.0-dev.1.tgz", - "integrity": "sha512-4oN7egq6Y4LPFcm1JedcAFvv5goPoUxawpwBHv0TSrDB9DVHwQBPm+yQXRmvVTw567FUSYr0YgmmT1MddihdCg==" + "version": "1.25.0-rc.3", + "resolved": "https://registry.npmjs.org/indigo-ketcher/-/indigo-ketcher-1.25.0-rc.3.tgz", + "integrity": "sha512-T9doQEwfSIZVev6sU+h/5KotGsrQgLKe1CbA06Ld9vkTDkBMCZTzIlHNXBbdKpAVbfkONt4QSHH5uHPXTXd7cA==" }, "node_modules/inflight": { "version": "1.0.6", @@ -35268,7 +35268,7 @@ "license": "Apache-2.0", "dependencies": { "@babel/runtime": "^7.17.9", - "indigo-ketcher": "1.26.0-dev.1", + "indigo-ketcher": "1.25.0-rc.3", "ketcher-core": "*" }, "devDependencies": { diff --git a/packages/ketcher-core/src/infrastructure/services/struct/remoteStructService.ts b/packages/ketcher-core/src/infrastructure/services/struct/remoteStructService.ts index cd18f4e9c4..7dafeca92b 100644 --- a/packages/ketcher-core/src/infrastructure/services/struct/remoteStructService.ts +++ b/packages/ketcher-core/src/infrastructure/services/struct/remoteStructService.ts @@ -249,6 +249,11 @@ export class RemoteStructService implements StructService { const expandedOptions = { ...this.getStandardServerOptions(options), + 'render-label-mode': getLabelRenderModeForIndigo(), + 'render-font-size': options?.['render-font-size'], + 'render-font-size-unit': options?.['render-font-size-unit'], + 'render-font-size-sub': options?.['render-font-size-sub'], + 'render-font-size-sub-unit': options?.['render-font-size-sub-unit'], 'output-content-type': 'application/json', 'bond-length-unit': options?.['bond-length-unit'], 'bond-length': options?.['bond-length'], diff --git a/packages/ketcher-standalone/package.json b/packages/ketcher-standalone/package.json index 4c2ccdaf79..097195aecb 100644 --- a/packages/ketcher-standalone/package.json +++ b/packages/ketcher-standalone/package.json @@ -42,7 +42,7 @@ }, "dependencies": { "@babel/runtime": "^7.17.9", - "indigo-ketcher": "1.26.0-dev.1", + "indigo-ketcher": "1.25.0-rc.3", "ketcher-core": "*" }, "devDependencies": { diff --git a/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts b/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts index 56aae80dc4..71a6d7844e 100644 --- a/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts +++ b/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts @@ -401,6 +401,11 @@ class IndigoService implements StructService { ...this.getStandardServerOptions(options), 'output-content-type': 'application/json', + 'render-label-mode': getLabelRenderModeForIndigo(), + 'render-font-size': options?.['render-font-size'], + 'render-font-size-unit': options?.['render-font-size-unit'], + 'render-font-size-sub': options?.['render-font-size-sub'], + 'render-font-size-sub-unit': options?.['render-font-size-sub-unit'], 'bond-length-unit': options?.['bond-length-unit'], 'bond-length': options?.['bond-length'], 'reaction-component-margin-size-unit':