From d81d27e9d4949fbc420a37aa3f4876c66eba5d11 Mon Sep 17 00:00:00 2001 From: Kristina Date: Wed, 22 Jan 2025 16:05:11 +0500 Subject: [PATCH 1/4] #5696-Adding Attachment point to microstructure already connected to monomer - causes problems --- .../ContextMenu/menuItems/AtomMenuItems.tsx | 23 +++++++++++++++++-- 1 file changed, 21 insertions(+), 2 deletions(-) diff --git a/packages/ketcher-react/src/script/ui/views/components/ContextMenu/menuItems/AtomMenuItems.tsx b/packages/ketcher-react/src/script/ui/views/components/ContextMenu/menuItems/AtomMenuItems.tsx index 87750af378..2b6a1739f7 100644 --- a/packages/ketcher-react/src/script/ui/views/components/ContextMenu/menuItems/AtomMenuItems.tsx +++ b/packages/ketcher-react/src/script/ui/views/components/ContextMenu/menuItems/AtomMenuItems.tsx @@ -171,7 +171,6 @@ const AtomMenuItems: FC> = (props) => { attachmentPoint.attachmentPointNumber, ), ); - const highlightAtomWithColor = (color: string) => { const atomIds = props.propsFromTrigger?.atomIds || []; editor.highlights.create({ @@ -182,6 +181,22 @@ const AtomMenuItems: FC> = (props) => { }); }; + const isAddAttachmentPointDisabled = + !onlyOneAtomSelected || + (() => { + if (!isNumber(selectedAtomId)) return true; + + const connectedComponents = struct.findConnectedComponent(selectedAtomId); + for (const connectedAtomId of connectedComponents) { + const connectedGroup = struct.getGroupFromAtomId(connectedAtomId); + if (connectedGroup?.isMonomer) { + return true; + } + } + + return false; + })(); + if (isAtomSuperatomLeavingGroup && onlyOneAtomSelected) { return ( <> @@ -231,7 +246,11 @@ const AtomMenuItems: FC> = (props) => { !atomInSgroupWithLabel && !maxAttachmentPointsAmount && !isAtomSuperatomLeavingGroup && ( - + Add attachment point )} From 1c0879fa1a6a785f1a4c1f07af1d6c1cae139398 Mon Sep 17 00:00:00 2001 From: Roman Rodionov Date: Wed, 22 Jan 2025 16:35:53 +0100 Subject: [PATCH 2/4] Backmerge: #6291 - Super G and Super T monomers do not load from a saved RXN V3000 file (#6342) --- ketcher-autotests/constants/monomers.ts | 4 ++-- ...MedC-Hydroxymethyl-dC-1-chromium-linux.png | Bin 41547 -> 41654 bytes ...-Amino-Modifier-C6-dT-1-chromium-linux.png | Bin 45702 -> 45786 bytes ...200\231-deoxyuridine-1-chromium-linux.png" | Bin 0 -> 49589 bytes ...mdA-2-6-Diaminopurine-1-chromium-linux.png | Bin 40020 -> 40101 bytes ...-aza-7-deazaguanosine-1-chromium-linux.png | Bin 0 -> 45420 bytes ...-with-a-single-symbol-1-chromium-linux.png | Bin 25673 -> 22620 bytes ...starting-symbol-Super-1-chromium-linux.png | Bin 22243 -> 19456 bytes ...-aza-7-deazaguanosine-2-chromium-linux.png | Bin 0 -> 4261 bytes ...-aza-7-deazaguanosine-1-chromium-linux.png | Bin 0 -> 22110 bytes ...200\231-deoxyuridine-2-chromium-linux.png" | Bin 0 -> 4338 bytes ...-aza-7-deazaguanosine-3-chromium-linux.png | Bin 0 -> 3266 bytes ...200\231-deoxyuridine-4-chromium-linux.png" | Bin 0 -> 4328 bytes ...200\231-deoxyuridine-3-chromium-linux.png" | Bin 0 -> 3266 bytes ...200\231-deoxyuridine-1-chromium-linux.png" | Bin 0 -> 22748 bytes ...-aza-7-deazaguanosine-4-chromium-linux.png | Bin 0 -> 4258 bytes ...200\231-deoxyuridine-1-chromium-linux.png" | Bin 0 -> 22911 bytes ...-aza-7-deazaguanosine-1-chromium-linux.png | Bin 0 -> 22192 bytes ...and-move-it-delete-it-2-chromium-linux.png | Bin 0 -> 22748 bytes ...and-move-it-delete-it-3-chromium-linux.png | Bin 0 -> 3266 bytes ...and-move-it-delete-it-3-chromium-linux.png | Bin 0 -> 3266 bytes ...and-move-it-delete-it-1-chromium-linux.png | Bin 0 -> 22192 bytes ...and-move-it-delete-it-1-chromium-linux.png | Bin 0 -> 22911 bytes ...and-move-it-delete-it-2-chromium-linux.png | Bin 0 -> 22110 bytes ...onomer-in-the-library-1-chromium-linux.png | Bin 51228 -> 51246 bytes .../tests/utils/macromolecules/index.ts | 2 +- .../tests/utils/macromolecules/polymerBond.ts | 4 ++-- .../src/application/editor/data/monomers.ket | 16 ++++++++-------- 28 files changed, 13 insertions(+), 13 deletions(-) create mode 100644 "ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-idt.spec.ts-snapshots/Import-Saving-idt-Files-Check-IDT-aliases-wh-402dd-mer-Super-T-5-hydroxybutynl-2\342\200\231-deoxyuridine-1-chromium-linux.png" create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-idt.spec.ts-snapshots/Import-Saving-idt-Files-Check-IDT-aliases-wh-6c3db-ides-monomer-Super-G-8-aza-7-deazaguanosine-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-0f322-t-nucleotide-Super-G-8-aza-7-deazaguanosine-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-39833-t-nucleotide-Super-G-8-aza-7-deazaguanosine-1-chromium-linux.png create mode 100644 "ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-82bfe-ide-Super-T-5-hydroxybutynl-2\342\200\231-deoxyuridine-2-chromium-linux.png" create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-a1f97-t-nucleotide-Super-G-8-aza-7-deazaguanosine-3-chromium-linux.png create mode 100644 "ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-a32de-ide-Super-T-5-hydroxybutynl-2\342\200\231-deoxyuridine-4-chromium-linux.png" create mode 100644 "ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-b7380-ide-Super-T-5-hydroxybutynl-2\342\200\231-deoxyuridine-3-chromium-linux.png" create mode 100644 "ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-bab57-ide-Super-T-5-hydroxybutynl-2\342\200\231-deoxyuridine-1-chromium-linux.png" create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-Undo-redo-tool-works-db45a-t-nucleotide-Super-G-8-aza-7-deazaguanosine-4-chromium-linux.png create mode 100644 "ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-preview-tooltip-is-s-3b823-ide-Super-T-5-hydroxybutynl-2\342\200\231-deoxyuridine-1-chromium-linux.png" create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-preview-tooltip-is-s-c486e-t-nucleotide-Super-G-8-aza-7-deazaguanosine-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-you-can-put-unsplit--022b2-rom-library-select-it-and-move-it-delete-it-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-you-can-put-unsplit--061f6-rom-library-select-it-and-move-it-delete-it-3-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-you-can-put-unsplit--88649-rom-library-select-it-and-move-it-delete-it-3-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-you-can-put-unsplit--9585c-rom-library-select-it-and-move-it-delete-it-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-you-can-put-unsplit--bfcda-rom-library-select-it-and-move-it-delete-it-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts-snapshots/RNA-Library-Validate-that-you-can-put-unsplit--e2caf-rom-library-select-it-and-move-it-delete-it-2-chromium-linux.png diff --git a/ketcher-autotests/constants/monomers.ts b/ketcher-autotests/constants/monomers.ts index 0e5c487ed5..e9d8930755 100644 --- a/ketcher-autotests/constants/monomers.ts +++ b/ketcher-autotests/constants/monomers.ts @@ -57,9 +57,9 @@ export enum Chem { export enum Nucleotides { _2_damdA = '2-damdA___2,6-Diaminopurine', _5hMedC = '5hMedC___Hydroxymethyl dC', - Super_G = 'Super G___8-aza-7-deazaguanosine', + Super_G = 'Super-G___8-aza-7-deazaguanosine', AmMC6T = 'AmMC6T___Amino Modifier C6 dT', - Super_T = 'Super T___5-hydroxybutynl-2’-deoxyuridine', + Super_T = 'Super-T___5-hydroxybutynl-2’-deoxyuridine', _5Br_dU = '5Br-dU___5-Bromo-deoxyuridine', _5NitInd = '5NitInd___5-Nitroindole', } diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-idt.spec.ts-snapshots/Import-Saving-idt-Files-Check-IDT-aliases-wh-32fe3-Nucleotides-monomer-5hMedC-Hydroxymethyl-dC-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-idt.spec.ts-snapshots/Import-Saving-idt-Files-Check-IDT-aliases-wh-32fe3-Nucleotides-monomer-5hMedC-Hydroxymethyl-dC-1-chromium-linux.png index b3f68847785d2cc3880cb0a9a089cf87e5c41904..6bdbc7de292bc3239f319928e60d8d56b3c90f08 100644 GIT binary patch literal 41654 zcmbrmbyQW+w>Esh0#rZ{R1gpZq&uV$M3C<8lt#Ki1(8wQslWT0&xvKB6p)8!$15) zqDb%$l8vme03yHh;UWU@2=VgyGkM3@l?exRIVJoX8zC`5!}!nT`LA95{^rVEVVt|= zgQ&9&zA0;pc`1V?d3k;m$=VYXYrfdIH*vy#>sMG2w@khXI6ixAuGva{_1U4@`JX5I z^K-FJj7jz@jS9E6wou@aa5R($WiS8zh(Od`C2jcox%<&0r0bU-J+C97GW`9L1x3X3 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a/packages/ketcher-core/src/application/editor/data/monomers.ket +++ b/packages/ketcher-core/src/application/editor/data/monomers.ket @@ -2236,10 +2236,10 @@ "$ref": "monomerTemplate-5hMedC___5-Hydroxymethyl dC" }, { - "$ref": "monomerTemplate-Super-dG___Super G" + "$ref": "monomerTemplate-Super-dG___Super-G" }, { - "$ref": "monomerTemplate-Super-dT___Super T" + "$ref": "monomerTemplate-Super-dT___Super-T" }, { "$ref": "monomerTemplate-5Br-dU___5-Bromo-deoxyuridine" @@ -170745,11 +170745,11 @@ } ] }, - "monomerTemplate-Super-dG___Super G": { + "monomerTemplate-Super-dG___Super-G": { "type": "monomerTemplate", - "id": "Super-dG___Super G", + "id": "Super-dG___Super-G", "fullName": "8-aza-7-deazaguanosine", - "alias": "Super G", + "alias": "Super-G", "naturalAnalogShort": "G", "class": "RNA", "classHELM": "RNA", @@ -171161,11 +171161,11 @@ } ] }, - "monomerTemplate-Super-dT___Super T": { + "monomerTemplate-Super-dT___Super-T": { "type": "monomerTemplate", - "id": "Super-dT___Super T", + "id": "Super-dT___Super-T", "fullName": "5-hydroxybutynl-2’-deoxyuridine", - "alias": "Super T", + "alias": "Super-T", "naturalAnalogShort": "T", "class": "RNA", "classHELM": "RNA", From c5c7387afc4bb372d530c3f2b768438d1b3e2390 Mon Sep 17 00:00:00 2001 From: Aleksandr Tanas Date: Wed, 22 Jan 2025 20:04:24 +0400 Subject: [PATCH 3/4] Fix RnaEditorExpanded adding keyDown handle for Escape, Enter. (#6343) Fix resetRnaBuilderAfterSequenceUpdate adding turnOffEditMode; Fix SequenceItemContextMenu consts with enum. Fix Editor.events.selectTool, .rightClickSequence using single arguments only. Fix npm scripts adding test:types, use in prepush. Fix editorEvent adding typing, adding keydown event. Fix OpenOptions interactivity visuals. Fix snapshots for OpenOptions interactivity visuals. --- demo/package.json | 1 + example-ssr/package.json | 1 + ketcher-autotests/package.json | 1 + ...ntrol-o-triggers-Open-1-chromium-linux.png | Bin 58991 -> 60670 bytes package.json | 3 +- .../src/application/editor/Editor.ts | 29 ++++---- .../src/application/editor/editorEvents.ts | 68 ++++++++++++++++-- .../src/application/editor/modes/BaseMode.ts | 2 +- .../ketcher-macromolecules/src/Editor.tsx | 14 ++-- .../src/EditorEvents.tsx | 8 +-- .../LeftMenuComponent/LeftMenuComponent.tsx | 2 +- .../TopMenuComponent/TopMenuComponent.tsx | 4 +- .../components/contextMenu/RNAContextMenu.tsx | 3 +- .../SequenceItemContextMenu.tsx | 24 ++++--- .../RnaBuilder/RnaEditor/RnaEditor.tsx | 2 +- .../RnaEditorExpanded.test.tsx | 7 +- .../RnaEditorExpanded/RnaEditorExpanded.tsx | 22 +++++- .../helpers/resetRnaBuilder.ts | 3 +- .../Open/components/FileDrop.module.less | 13 +++- .../Open/components/OpenOptions.module.less | 14 +++- .../ketcher-react/src/style/variables.less | 6 ++ 21 files changed, 174 insertions(+), 53 deletions(-) diff --git a/demo/package.json b/demo/package.json index b868cb3020..a7d60dd350 100644 --- a/demo/package.json +++ b/demo/package.json @@ -21,6 +21,7 @@ "start": "react-scripts start", "build": "react-scripts build", "test": "react-scripts test --passWithNoTests --watchAll=false", + "test:types": "tsc --noEmit", "eject": "react-scripts eject", "serve": "serve -s build" }, diff --git a/example-ssr/package.json b/example-ssr/package.json index d07110ac01..c2474786e8 100644 --- a/example-ssr/package.json +++ b/example-ssr/package.json @@ -5,6 +5,7 @@ "scripts": { "dev": "next dev -p 5173", "build": "next build", + "test:types": "tsc --noEmit", "start": "next start", "lint": "next lint" }, diff --git a/ketcher-autotests/package.json b/ketcher-autotests/package.json index f31784e02f..c69332e701 100644 --- a/ketcher-autotests/package.json +++ b/ketcher-autotests/package.json @@ -11,6 +11,7 @@ "test:trace": "npx playwright test --trace on", "check:code": "npm run check:types && npm run check:lint", "check:types": "tsc --noEmit", + "test:types": "tsc --noEmit", "check:lint": "eslint .", "lint:fix": "eslint . --fix", "prettier:write": "prettier --write \"./**/*.{js,ts}\" ", diff --git a/ketcher-autotests/tests/API/view-only-mode.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Hotkeys-test-Verify-that-hotkey-Control-o-triggers-Open-1-chromium-linux.png b/ketcher-autotests/tests/API/view-only-mode.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Hotkeys-test-Verify-that-hotkey-Control-o-triggers-Open-1-chromium-linux.png index 7049673dd0f7778b3395965134516ecb24349173..ff3f5975c742e20648de7b4f9d5dac10e209d991 100644 GIT binary patch delta 40134 zcmagG2RPPy_&;8esDw~PRz`$GR%QsviHgg*?a%* zN9TNh=lWmY-}U=k=Q`Ipc%J9;dB5-Xec!KfKP#;m$AcJol=6rTC8eb8+=+(cPOF*3 z+@k_InXi^j>u*A zJ5e&&$=R7dwp}WWL41@!+PrJ!{D0ra 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sdf 2000 + */ + await waitForPageInit(page); + await openFileAndAddToCanvas('KET/adenosine-triphosphate.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'px-option'); + await setHashSpacingValue(page, '79.8'); + await pressButton(page, 'Apply'); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'SDF/adenosine-triphosphate-px-hash-spacing-v2000-expected.sdf', + FileType.SDF, + 'v2000', + [1], + ); + await openFileAndAddToCanvasAsNewProject( + 'SDF/adenosine-triphosphate-px-hash-spacing-v2000-expected.sdf', + page, + ); + await takeEditorScreenshot(page); +}); + +test('The Hash spacing setting with px option is applied and it should be save to sdf 3000 file', async ({ + page, +}) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Change Hash spacing for ACS styles settings + The Hash spacing setting is applied and it should be save to sdf 3000 + */ + await waitForPageInit(page); + await openFileAndAddToCanvas('KET/adenosine-triphosphate.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'px-option'); + await setHashSpacingValue(page, '79.8'); + await pressButton(page, 'Apply'); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'SDF/adenosine-triphosphate-px-hash-spacing-v3000-expected.sdf', + FileType.SDF, + 'v3000', + [1], + ); + await openFileAndAddToCanvasAsNewProject( + 'SDF/adenosine-triphosphate-px-hash-spacing-v3000-expected.sdf', + page, + ); + await takeEditorScreenshot(page); +}); + +test('The Hash spacing setting with cm option is applied and it should be save to sdf 2000 file', async ({ + page, +}) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Change Hash spacing for ACS styles settings + The Hash spacing setting is applied and it should be save to sdf 2000 + */ + await waitForPageInit(page); + await openFileAndAddToCanvas('KET/adenosine-triphosphate.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'cm-option'); + await setHashSpacingValue(page, '79.8'); + await pressButton(page, 'Apply'); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'SDF/adenosine-triphosphate-cm-hash-spacing-v2000-expected.sdf', + FileType.SDF, + 'v2000', + [1], + ); + await openFileAndAddToCanvasAsNewProject( + 'SDF/adenosine-triphosphate-cm-hash-spacing-v2000-expected.sdf', + page, + ); + await takeEditorScreenshot(page); +}); + +test('The Hash spacing setting with cm option is applied and it should be save to sdf 3000 file', async ({ + page, +}) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Change Hash spacing for ACS styles settings + The Hash spacing setting is applied and it should be save to sdf 3000 + */ + await waitForPageInit(page); + await openFileAndAddToCanvas('KET/adenosine-triphosphate.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'cm-option'); + await setHashSpacingValue(page, '79.8'); + await pressButton(page, 'Apply'); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'SDF/adenosine-triphosphate-cm-hash-spacing-v3000-expected.sdf', + FileType.SDF, + 'v3000', + [1], + ); + await openFileAndAddToCanvasAsNewProject( + 'SDF/adenosine-triphosphate-cm-hash-spacing-v3000-expected.sdf', + page, + ); + await takeEditorScreenshot(page); +}); + +test('The Hash spacing setting with inch option is applied and it should be save to sdf 2000 file', async ({ + page, +}) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Change Hash spacing for ACS styles settings + The Hash spacing setting is applied and it should be save to sdf 2000 + */ + await waitForPageInit(page); + await openFileAndAddToCanvas('KET/adenosine-triphosphate.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'inch-option'); + await setHashSpacingValue(page, '79.8'); + await pressButton(page, 'Apply'); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'SDF/adenosine-triphosphate-inch-hash-spacing-v2000-expected.sdf', + FileType.SDF, + 'v2000', + [1], + ); + await openFileAndAddToCanvasAsNewProject( + 'SDF/adenosine-triphosphate-inch-hash-spacing-v2000-expected.sdf', + page, + ); + await takeEditorScreenshot(page); +}); + +test('The Hash spacing setting with inch option is applied and it should be save to sdf 3000 file', async ({ + page, +}) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Change Hash spacing for ACS styles settings + The Hash spacing setting is applied and it should be save to sdf 3000 + */ + await waitForPageInit(page); + await openFileAndAddToCanvas('KET/adenosine-triphosphate.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'inch-option'); + await setHashSpacingValue(page, '79.8'); + await pressButton(page, 'Apply'); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'SDF/adenosine-triphosphate-inch-hash-spacing-v3000-expected.sdf', + FileType.SDF, + 'v3000', + [1], + ); + await openFileAndAddToCanvasAsNewProject( + 'SDF/adenosine-triphosphate-inch-hash-spacing-v3000-expected.sdf', + page, + ); + await takeEditorScreenshot(page); +}); + test('The Bond length setting with pt option is applied and it should be save to sdf 2000 file', async ({ page, }) => { diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-cm-option-is-applied-and-it-should-be-save-to-sdf-2000-file-1-chromium-linux.png 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+ 4.1095 -8.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1083 -7.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9762 -7.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.9750 -6.2971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 4.1092 -5.7972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8397 -5.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8417 -4.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7046 -6.3006 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 + 4 5 1 0 0 0 0 + 5 6 1 0 0 0 0 + 6 7 1 6 0 0 0 + 6 8 1 0 0 0 0 + 8 9 2 0 0 0 0 + 8 10 1 0 0 0 0 +M END +$MOL + + -INDIGO-01082513102D + + 8 8 0 0 0 0 0 0 0 0999 V2000 + 9.4628 -10.4226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3248 -9.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6012 -9.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3248 -8.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1962 -10.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6012 -8.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4589 -8.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4589 -7.4203 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 + 2 5 2 0 0 0 0 + 3 6 2 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 6 7 1 0 0 0 0 +M END +$MOL + + -INDIGO-01082513102D + + 18 17 0 0 0 0 0 0 0 0999 V2000 + 20.9839 -12.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.2428 -11.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.2087 -10.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.4675 -9.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.4334 -9.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.6923 -8.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.6582 -8.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.9170 -7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.8829 -7.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 26.1417 -6.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.5357 -10.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 26.5900 -7.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 24.2099 -6.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 22.9158 -11.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 21.7604 -9.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 24.1405 -10.3366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 22.9851 -7.9564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 25.3653 -9.1118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 3 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + 5 6 1 0 0 0 0 + 6 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 2 11 2 0 0 0 0 + 9 12 2 0 0 0 0 + 8 13 2 0 0 0 0 + 3 14 1 0 0 0 0 + 4 15 1 0 0 0 0 + 5 16 1 0 0 0 0 + 6 17 1 0 0 0 0 + 7 18 1 0 0 0 0 +M END diff --git a/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-catalyst-px-hash-spacing-expected.rxn b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-catalyst-px-hash-spacing-expected.rxn new file mode 100644 index 0000000000..4a83b3170b --- /dev/null +++ b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-catalyst-px-hash-spacing-expected.rxn @@ -0,0 +1,150 @@ +$RXN V3000 + + -INDIGO- 0108251202 + +M V30 COUNTS 1 2 2 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 11 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 O -1.75703 -5.66598 0.0 0 +M V30 2 C -0.921975 -5.06947 0.0 0 +M V30 3 C -0.0443216 -5.69266 0.0 0 CFG=2 +M V30 4 C 0.82998 -5.10844 0.0 0 CFG=2 +M V30 5 C 1.67062 -5.72632 0.0 0 CFG=2 +M V30 6 C 2.50191 -5.11054 0.0 0 +M V30 7 C 3.36783 -5.69503 0.0 0 +M V30 8 O 4.3068 -5.24266 0.0 0 +M V30 9 O 1.67062 -6.7745 0.0 0 +M V30 10 O 0.856936 -4.0664 0.0 0 +M V30 11 O -0.0665283 -6.7407 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 2 7 8 +M V30 7 1 6 7 +M V30 8 1 5 9 CFG=3 +M V30 9 1 4 10 CFG=1 +M V30 10 1 3 11 CFG=3 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(3 3 4 5) +M V30 END COLLECTION +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 12 13 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 20.373 -11.2368 0.0 0 CFG=2 +M V30 2 O 19.2483 -10.8356 0.0 0 +M V30 3 C 18.1352 -11.2368 0.0 0 CFG=1 +M V30 4 C 18.5545 -11.8745 0.0 0 CFG=1 +M V30 5 C 19.9421 -11.8745 0.0 0 +M V30 6 O 18.0582 -12.7947 0.0 0 +M V30 7 C 17.8646 -10.2269 0.0 0 +M V30 8 O 16.8547 -9.95635 0.0 0 +M V30 9 C 21.132 -12.2187 0.0 0 +M V30 10 N 21.1106 -11.4561 0.0 0 +M V30 11 O 20.4098 -12.4773 0.0 0 +M V30 12 N 21.9951 -12.8086 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 CFG=1 +M V30 4 1 4 5 CFG=1 +M V30 5 1 1 5 CFG=1 +M V30 6 1 4 6 +M V30 7 1 3 7 +M V30 8 1 7 8 +M V30 9 2 5 11 +M V30 10 1 11 9 +M V30 11 2 9 10 +M V30 12 1 10 1 +M V30 13 1 9 12 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(3 1 3 4) +M V30 END COLLECTION +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 14 15 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 28.0198 -4.53066 0.0 0 +M V30 2 C 27.0198 -4.53066 0.0 0 +M V30 3 C 26.5198 -5.39677 0.0 0 +M V30 4 C 27.0197 -6.26268 0.0 0 +M V30 5 C 28.0197 -6.26268 0.0 0 +M V30 6 C 28.5198 -5.39667 0.0 0 +M V30 7 C 28.5198 -3.66464 0.0 0 +M V30 8 C 29.5199 -3.66464 0.0 0 +M V30 9 C 30.0199 -4.53066 0.0 0 +M V30 10 C 29.5199 -5.39667 0.0 0 +M V30 11 C 30.0199 -6.26268 0.0 0 +M V30 12 C 31.0199 -6.26268 0.0 0 +M V30 13 C 31.5199 -5.39677 0.0 0 +M V30 14 C 31.0199 -4.53066 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 2 1 6 +M V30 3 2 2 3 +M V30 4 1 3 4 +M V30 5 2 4 5 +M V30 6 1 5 6 +M V30 7 1 1 7 +M V30 8 2 7 8 +M V30 9 1 8 9 +M V30 10 1 9 10 +M V30 11 2 9 14 +M V30 12 2 10 11 +M V30 13 1 11 12 +M V30 14 2 12 13 +M V30 15 1 13 14 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M V30 BEGIN AGENT +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 N 10.7128 -4.31839 0.0 0 +M V30 2 N 12.4431 -4.3179 0.0 0 +M V30 3 N 11.5796 -3.81828 0.0 0 +M V30 4 N 12.4431 -5.31885 0.0 0 +M V30 5 N 10.7128 -5.32333 0.0 0 +M V30 6 N 11.5818 -5.81835 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 3 1 +M V30 2 1 1 5 +M V30 3 2 5 6 +M V30 4 1 6 4 +M V30 5 2 4 2 +M V30 6 1 2 3 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 5 5 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 11.7234 -8.08897 0.0 0 +M V30 2 C 12.2238 -9.62906 0.0 0 +M V30 3 C 12.533 -8.68283 0.0 0 +M V30 4 C 11.223 -9.62906 0.0 0 +M V30 5 C 10.9137 -8.68283 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 5 +M V30 2 2 5 4 +M V30 3 1 4 2 +M V30 4 2 2 3 +M V30 5 1 3 1 +M V30 END BOND +M V30 END CTAB +M V30 END AGENT +M END diff --git a/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn new file mode 100644 index 0000000000..7e22bfcfc1 --- /dev/null +++ b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn @@ -0,0 +1,158 @@ +$RXN V3000 + + -INDIGO- 0108251259 + +M V30 COUNTS 2 1 2 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 15 16 0 0 0 +M V30 BEGIN ATOM +M V30 1 N -0.715126 -5.53904 0.0 0 +M V30 2 C 0.179671 -5.99194 0.0 0 CFG=1 +M V30 3 C 0.232771 -6.99334 0.0 0 +M V30 4 C -0.610627 -7.53534 0.0 0 +M V30 5 C -1.54002 -7.17904 0.0 0 +M V30 6 N -2.17302 -7.95394 0.0 0 +M V30 7 C -1.62462 -8.79563 0.0 0 +M V30 8 C -0.658327 -8.53664 0.0 0 +M V30 9 C 0.0484716 -9.24173 0.0 0 +M V30 10 C -0.211228 -10.2057 0.0 0 +M V30 11 C -1.17743 -10.4646 0.0 0 +M V30 12 C -1.88412 -9.75953 0.0 0 +M V30 13 C 1.01497 -5.44534 0.0 0 +M V30 14 O 0.963669 -4.45045 0.0 0 +M V30 15 O 1.90697 -5.89834 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 2 1 CFG=3 +M V30 2 1 2 3 +M V30 3 1 2 13 +M V30 4 1 3 4 +M V30 5 2 4 5 +M V30 6 1 4 8 +M V30 7 1 5 6 +M V30 8 1 6 7 +M V30 9 2 7 8 +M V30 10 1 7 12 +M V30 11 1 8 9 +M V30 12 2 9 10 +M V30 13 1 10 11 +M V30 14 2 11 12 +M V30 15 2 13 14 +M V30 16 1 13 15 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(1 2) +M V30 END COLLECTION +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 27 29 0 0 0 +M V30 BEGIN ATOM +M V30 1 O 14.0184 -4.9342 0.0 0 +M V30 2 C 13.1915 -5.33261 0.0 0 CFG=1 +M V30 3 C 13.5074 -6.10217 0.0 0 CFG=1 +M V30 4 C 14.5294 -6.10217 0.0 0 +M V30 5 C 14.8452 -5.33261 0.0 0 CFG=2 +M V30 6 O 13.5074 -7.12421 0.0 0 +M V30 7 C 13.1915 -4.31057 0.0 0 +M V30 8 O 12.1695 -4.31057 0.0 0 +M V30 9 N 14.8452 -4.31057 0.0 0 +M V30 10 C 16.7176 -2.5129 0.0 0 +M V30 11 N 17.6026 -3.02404 0.0 0 +M V30 12 C 17.6026 -4.04608 0.0 0 +M V30 13 N 16.7176 -4.5571 0.0 0 +M V30 14 C 15.8325 -4.04608 0.0 0 +M V30 15 N 14.9318 -2.65921 0.0 0 +M V30 16 C 15.8325 -3.02404 0.0 0 +M V30 17 C 14.2886 -3.45342 0.0 0 +M V30 18 N 16.7176 -1.49086 0.0 0 +M V30 19 O 14.5294 -7.12421 0.0 0 +M V30 20 P 11.1474 -4.31057 0.0 0 +M V30 21 O 11.1474 -3.28854 0.0 0 +M V30 22 O 11.1474 -5.33261 0.0 0 +M V30 23 O 10.1254 -4.31057 0.0 0 +M V30 24 P 9.10336 -4.31057 0.0 0 +M V30 25 O 9.10336 -3.28854 0.0 0 +M V30 26 O 9.10336 -5.33261 0.0 0 +M V30 27 O 8.08132 -4.31057 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 1 5 +M V30 3 1 2 3 CFG=1 +M V30 4 1 2 7 +M V30 5 1 3 4 CFG=1 +M V30 6 1 3 6 +M V30 7 1 5 4 CFG=1 +M V30 8 1 5 9 +M V30 9 1 7 8 +M V30 10 1 14 9 +M V30 11 1 9 17 +M V30 12 2 10 11 +M V30 13 1 10 16 +M V30 14 1 10 18 +M V30 15 1 11 12 +M V30 16 2 12 13 +M V30 17 1 13 14 +M V30 18 2 16 14 +M V30 19 1 15 16 +M V30 20 2 15 17 +M V30 21 1 4 19 +M V30 22 1 8 20 +M V30 23 2 20 21 +M V30 24 1 20 22 +M V30 25 1 20 23 +M V30 26 1 23 24 +M V30 27 2 24 25 +M V30 28 1 24 26 +M V30 29 1 24 27 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(3 2 3 5) +M V30 END COLLECTION +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 8 8 0 0 0 +M V30 BEGIN ATOM +M V30 1 N 29.8313 -15.4591 0.0 0 +M V30 2 C 30.6978 -14.9549 0.0 0 +M V30 3 C 28.9701 -14.9598 0.0 0 +M V30 4 N 30.6978 -13.9501 0.0 0 +M V30 5 O 31.5638 -15.454 0.0 0 +M V30 6 C 28.9701 -13.9552 0.0 0 +M V30 7 C 29.8272 -13.4557 0.0 0 +M V30 8 N 29.8272 -12.4559 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 1 3 +M V30 3 1 2 4 +M V30 4 2 2 5 +M V30 5 2 3 6 +M V30 6 2 4 7 +M V30 7 1 7 8 +M V30 8 1 6 7 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M V30 BEGIN AGENT +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 H 24.617 -3.08254 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 H 23.542 -12.6075 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 END AGENT +M END diff --git a/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-dif-elements-cm-hash-spacing-expected.rxn b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-dif-elements-cm-hash-spacing-expected.rxn new file mode 100644 index 0000000000..3cc4699e5c --- /dev/null +++ b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-dif-elements-cm-hash-spacing-expected.rxn @@ -0,0 +1,124 @@ +$RXN V3000 + + -INDIGO- 0108251307 + +M V30 COUNTS 5 5 2 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 O 6.00906 -7.75 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 O 9.40906 -7.1 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 N 9.78406 -11.175 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 N 5.78406 -10.9 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 Br 6.84753 -8.51257 0.0 0 +M V30 2 Br 8.57783 -8.51209 0.0 0 +M V30 3 Br 7.71431 -8.01247 0.0 0 +M V30 4 Br 8.57783 -9.51303 0.0 0 +M V30 5 Br 6.84753 -9.51752 0.0 0 +M V30 6 Br 7.7165 -10.0125 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 3 1 +M V30 2 1 1 5 +M V30 3 2 5 6 +M V30 4 1 6 4 +M V30 5 2 4 2 +M V30 6 1 2 3 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 23.8591 -8.7 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 22.8841 -6.025 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 20.6841 -7.975 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 22.4091 -9.875 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 3 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 22.5121 -7.56997 0.0 0 +M V30 2 C 23.5133 -7.56997 0.0 0 +M V30 3 C 23.0127 -6.70503 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 3 +M V30 3 1 3 1 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M V30 BEGIN AGENT +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 H 13.8841 -4.35 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 1 0 0 0 0 +M V30 BEGIN ATOM +M V30 1 H 16.0341 -11.525 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 END BOND +M V30 END CTAB +M V30 END AGENT +M END diff --git a/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-inch-hash-spacing-expected.rxn b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-inch-hash-spacing-expected.rxn new file mode 100644 index 0000000000..d9ec7e46d0 --- /dev/null +++ b/ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-inch-hash-spacing-expected.rxn @@ -0,0 +1,104 @@ +$RXN V3000 + + -INDIGO- 0108251311 + +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 3.24293 -10.2969 0.0 0 +M V30 2 C 3.24493 -9.29359 0.0 0 +M V30 3 C 4.10954 -8.79579 0.0 0 +M V30 4 C 4.10834 -7.79808 0.0 0 +M V30 5 C 4.97624 -7.29478 0.0 0 +M V30 6 C 4.97505 -6.29707 0.0 0 CFG=2 +M V30 7 N 4.10924 -5.79717 0.0 0 +M V30 8 C 5.83965 -5.79927 0.0 0 +M V30 9 O 5.84165 -4.79607 0.0 0 +M V30 10 O 6.70456 -6.30057 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 1 6 7 CFG=3 +M V30 7 1 6 8 +M V30 8 2 8 9 +M V30 9 1 8 10 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(1 6) +M V30 END COLLECTION +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 8 8 0 0 0 +M V30 BEGIN ATOM +M V30 1 N 9.46278 -10.4226 0.0 0 +M V30 2 C 10.3248 -9.91641 0.0 0 +M V30 3 C 8.60124 -9.9262 0.0 0 +M V30 4 N 10.3248 -8.91181 0.0 0 +M V30 5 O 11.1962 -10.4177 0.0 0 +M V30 6 C 8.60124 -8.91677 0.0 0 +M V30 7 C 9.45891 -8.41997 0.0 0 +M V30 8 O 9.45891 -7.42033 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 1 3 +M V30 3 1 2 4 +M V30 4 2 2 5 +M V30 5 2 3 6 +M V30 6 1 4 7 +M V30 7 2 7 8 +M V30 8 1 6 7 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 18 17 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 20.9839 -12.0789 0.0 0 +M V30 2 C 21.2428 -11.113 0.0 0 +M V30 3 C 22.2087 -10.8542 0.0 0 +M V30 4 C 22.4675 -9.88826 0.0 0 +M V30 5 C 23.4334 -9.62945 0.0 0 +M V30 6 C 23.6923 -8.66352 0.0 0 +M V30 7 C 24.6582 -8.4047 0.0 0 +M V30 8 C 24.917 -7.43877 0.0 0 +M V30 9 C 25.8829 -7.17996 0.0 0 +M V30 10 C 26.1417 -6.21403 0.0 0 +M V30 11 O 20.5357 -10.4059 0.0 0 +M V30 12 O 26.59 -7.88706 0.0 0 +M V30 13 O 24.2099 -6.73167 0.0 0 +M V30 14 O 22.9158 -11.5613 0.0 0 +M V30 15 N 21.7604 -9.18116 0.0 0 +M V30 16 N 24.1405 -10.3366 0.0 0 +M V30 17 N 22.9851 -7.95641 0.0 0 +M V30 18 N 25.3653 -9.11181 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 1 6 7 +M V30 7 1 7 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 2 2 11 +M V30 11 2 9 12 +M V30 12 2 8 13 +M V30 13 1 3 14 +M V30 14 1 4 15 +M V30 15 1 5 16 +M V30 16 1 6 17 +M V30 17 1 7 18 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END diff --git a/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v2000-expected.sdf b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v2000-expected.sdf new file mode 100644 index 0000000000..a1a77a845c --- /dev/null +++ b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v2000-expected.sdf @@ -0,0 +1,70 @@ + + -INDIGO-01082514152D + + 31 33 0 0 1 0 0 0 0 0999 V2000 + 16.9074 -9.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0827 -9.4973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 16.3977 -10.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 17.4170 -10.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7320 -9.4973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 16.3977 -11.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0827 -8.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0634 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7320 -8.4780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -6.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.4820 -7.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 20.4820 -8.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -8.7239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7166 -8.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.8183 -6.8311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7166 -7.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1769 -7.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -5.6658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.4170 -11.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0247 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9861 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9475 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 5 1 0 0 0 0 + 2 3 1 1 0 0 0 + 2 7 1 0 0 0 0 + 3 4 1 1 0 0 0 + 3 6 1 0 0 0 0 + 5 4 1 1 0 0 0 + 5 9 1 0 0 0 0 + 7 8 1 0 0 0 0 + 14 9 1 0 0 0 0 + 9 17 1 0 0 0 0 + 10 11 2 0 0 0 0 + 10 16 1 0 0 0 0 + 10 18 1 0 0 0 0 + 11 12 1 0 0 0 0 + 12 13 2 0 0 0 0 + 13 14 1 0 0 0 0 + 16 14 2 0 0 0 0 + 15 16 1 0 0 0 0 + 15 17 2 0 0 0 0 + 4 19 1 0 0 0 0 + 8 20 1 0 0 0 0 + 20 21 2 0 0 0 0 + 20 22 1 0 0 0 0 + 20 23 1 0 0 0 0 + 23 24 1 0 0 0 0 + 24 25 2 0 0 0 0 + 24 26 1 0 0 0 0 + 24 27 1 0 0 0 0 + 27 28 1 0 0 0 0 + 28 29 2 0 0 0 0 + 28 30 1 0 0 0 0 + 28 31 1 0 0 0 0 +M END +$$$$ diff --git a/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v3000-expected.sdf b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v3000-expected.sdf new file mode 100644 index 0000000000..4b8685bb14 --- /dev/null +++ b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v3000-expected.sdf @@ -0,0 +1,80 @@ + + -INDIGO-01082514152D + + 0 0 0 0 0 0 0 0 0 0 0 V3000 +M V30 BEGIN CTAB +M V30 COUNTS 31 33 0 0 0 +M V30 BEGIN ATOM +M V30 1 O 16.9074 -9.09999 0.0 0 +M V30 2 C 16.0827 -9.49734 0.0 0 CFG=1 +M V30 3 C 16.3977 -10.2649 0.0 0 CFG=1 +M V30 4 C 17.417 -10.2649 0.0 0 +M V30 5 C 17.732 -9.49734 0.0 0 CFG=2 +M V30 6 O 16.3977 -11.2842 0.0 0 +M V30 7 C 16.0827 -8.47803 0.0 0 +M V30 8 O 15.0634 -8.47803 0.0 0 +M V30 9 N 17.732 -8.47803 0.0 0 +M V30 10 C 19.5994 -6.68514 0.0 0 +M V30 11 N 20.482 -7.19493 0.0 0 +M V30 12 C 20.482 -8.21424 0.0 0 +M V30 13 N 19.5994 -8.7239 0.0 0 +M V30 14 C 18.7166 -8.21424 0.0 0 +M V30 15 N 17.8183 -6.83106 0.0 0 +M V30 16 C 18.7166 -7.19493 0.0 0 +M V30 17 C 17.1769 -7.62316 0.0 0 +M V30 18 N 19.5994 -5.66583 0.0 0 +M V30 19 O 17.417 -11.2842 0.0 0 +M V30 20 P 14.044 -8.47803 0.0 0 +M V30 21 O 14.044 -7.45871 0.0 0 +M V30 22 O 14.044 -9.49734 0.0 0 +M V30 23 O 13.0247 -8.47803 0.0 0 +M V30 24 P 12.0054 -8.47803 0.0 0 +M V30 25 O 12.0054 -7.45871 0.0 0 +M V30 26 O 12.0054 -9.49734 0.0 0 +M V30 27 O 10.9861 -8.47803 0.0 0 +M V30 28 P 9.96678 -8.47803 0.0 0 +M V30 29 O 9.96678 -7.45871 0.0 0 +M V30 30 O 9.96678 -9.49734 0.0 0 +M V30 31 O 8.94747 -8.47803 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 1 5 +M V30 3 1 2 3 CFG=1 +M V30 4 1 2 7 +M V30 5 1 3 4 CFG=1 +M V30 6 1 3 6 +M V30 7 1 5 4 CFG=1 +M V30 8 1 5 9 +M V30 9 1 7 8 +M V30 10 1 14 9 +M V30 11 1 9 17 +M V30 12 2 10 11 +M V30 13 1 10 16 +M V30 14 1 10 18 +M V30 15 1 11 12 +M V30 16 2 12 13 +M V30 17 1 13 14 +M V30 18 2 16 14 +M V30 19 1 15 16 +M V30 20 2 15 17 +M V30 21 1 4 19 +M V30 22 1 8 20 +M V30 23 2 20 21 +M V30 24 1 20 22 +M V30 25 1 20 23 +M V30 26 1 23 24 +M V30 27 2 24 25 +M V30 28 1 24 26 +M V30 29 1 24 27 +M V30 30 1 27 28 +M V30 31 2 28 29 +M V30 32 1 28 30 +M V30 33 1 28 31 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(3 2 3 5) +M V30 END COLLECTION +M V30 END CTAB +M END +$$$$ diff --git a/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v2000-expected.sdf b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v2000-expected.sdf new file mode 100644 index 0000000000..801087c37e --- /dev/null +++ b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v2000-expected.sdf @@ -0,0 +1,70 @@ + + -INDIGO-01082514172D + + 31 33 0 0 1 0 0 0 0 0999 V2000 + 16.9074 -9.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0827 -9.4973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 16.3977 -10.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 17.4170 -10.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7320 -9.4973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 16.3977 -11.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0827 -8.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0634 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7320 -8.4780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -6.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.4820 -7.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 20.4820 -8.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -8.7239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7166 -8.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.8183 -6.8311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7166 -7.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1769 -7.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -5.6658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.4170 -11.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0247 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9861 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9475 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 5 1 0 0 0 0 + 2 3 1 1 0 0 0 + 2 7 1 0 0 0 0 + 3 4 1 1 0 0 0 + 3 6 1 0 0 0 0 + 5 4 1 1 0 0 0 + 5 9 1 0 0 0 0 + 7 8 1 0 0 0 0 + 14 9 1 0 0 0 0 + 9 17 1 0 0 0 0 + 10 11 2 0 0 0 0 + 10 16 1 0 0 0 0 + 10 18 1 0 0 0 0 + 11 12 1 0 0 0 0 + 12 13 2 0 0 0 0 + 13 14 1 0 0 0 0 + 16 14 2 0 0 0 0 + 15 16 1 0 0 0 0 + 15 17 2 0 0 0 0 + 4 19 1 0 0 0 0 + 8 20 1 0 0 0 0 + 20 21 2 0 0 0 0 + 20 22 1 0 0 0 0 + 20 23 1 0 0 0 0 + 23 24 1 0 0 0 0 + 24 25 2 0 0 0 0 + 24 26 1 0 0 0 0 + 24 27 1 0 0 0 0 + 27 28 1 0 0 0 0 + 28 29 2 0 0 0 0 + 28 30 1 0 0 0 0 + 28 31 1 0 0 0 0 +M END +$$$$ diff --git a/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v3000-expected.sdf b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v3000-expected.sdf new file mode 100644 index 0000000000..2ad973e0bc --- /dev/null +++ b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v3000-expected.sdf @@ -0,0 +1,80 @@ + + -INDIGO-01082514182D + + 0 0 0 0 0 0 0 0 0 0 0 V3000 +M V30 BEGIN CTAB +M V30 COUNTS 31 33 0 0 0 +M V30 BEGIN ATOM +M V30 1 O 16.9074 -9.09999 0.0 0 +M V30 2 C 16.0827 -9.49734 0.0 0 CFG=1 +M V30 3 C 16.3977 -10.2649 0.0 0 CFG=1 +M V30 4 C 17.417 -10.2649 0.0 0 +M V30 5 C 17.732 -9.49734 0.0 0 CFG=2 +M V30 6 O 16.3977 -11.2842 0.0 0 +M V30 7 C 16.0827 -8.47803 0.0 0 +M V30 8 O 15.0634 -8.47803 0.0 0 +M V30 9 N 17.732 -8.47803 0.0 0 +M V30 10 C 19.5994 -6.68514 0.0 0 +M V30 11 N 20.482 -7.19493 0.0 0 +M V30 12 C 20.482 -8.21424 0.0 0 +M V30 13 N 19.5994 -8.7239 0.0 0 +M V30 14 C 18.7166 -8.21424 0.0 0 +M V30 15 N 17.8183 -6.83106 0.0 0 +M V30 16 C 18.7166 -7.19493 0.0 0 +M V30 17 C 17.1769 -7.62316 0.0 0 +M V30 18 N 19.5994 -5.66583 0.0 0 +M V30 19 O 17.417 -11.2842 0.0 0 +M V30 20 P 14.044 -8.47803 0.0 0 +M V30 21 O 14.044 -7.45871 0.0 0 +M V30 22 O 14.044 -9.49734 0.0 0 +M V30 23 O 13.0247 -8.47803 0.0 0 +M V30 24 P 12.0054 -8.47803 0.0 0 +M V30 25 O 12.0054 -7.45871 0.0 0 +M V30 26 O 12.0054 -9.49734 0.0 0 +M V30 27 O 10.9861 -8.47803 0.0 0 +M V30 28 P 9.96678 -8.47803 0.0 0 +M V30 29 O 9.96678 -7.45871 0.0 0 +M V30 30 O 9.96678 -9.49734 0.0 0 +M V30 31 O 8.94747 -8.47803 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 1 5 +M V30 3 1 2 3 CFG=1 +M V30 4 1 2 7 +M V30 5 1 3 4 CFG=1 +M V30 6 1 3 6 +M V30 7 1 5 4 CFG=1 +M V30 8 1 5 9 +M V30 9 1 7 8 +M V30 10 1 14 9 +M V30 11 1 9 17 +M V30 12 2 10 11 +M V30 13 1 10 16 +M V30 14 1 10 18 +M V30 15 1 11 12 +M V30 16 2 12 13 +M V30 17 1 13 14 +M V30 18 2 16 14 +M V30 19 1 15 16 +M V30 20 2 15 17 +M V30 21 1 4 19 +M V30 22 1 8 20 +M V30 23 2 20 21 +M V30 24 1 20 22 +M V30 25 1 20 23 +M V30 26 1 23 24 +M V30 27 2 24 25 +M V30 28 1 24 26 +M V30 29 1 24 27 +M V30 30 1 27 28 +M V30 31 2 28 29 +M V30 32 1 28 30 +M V30 33 1 28 31 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(3 2 3 5) +M V30 END COLLECTION +M V30 END CTAB +M END +$$$$ diff --git a/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v2000-expected.sdf b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v2000-expected.sdf new file mode 100644 index 0000000000..bccbb50591 --- /dev/null +++ b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v2000-expected.sdf @@ -0,0 +1,70 @@ + + -INDIGO-01082514072D + + 31 33 0 0 1 0 0 0 0 0999 V2000 + 16.9074 -9.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0827 -9.4973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 16.3977 -10.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 17.4170 -10.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7320 -9.4973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 16.3977 -11.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0827 -8.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0634 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7320 -8.4780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -6.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.4820 -7.1949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 20.4820 -8.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -8.7239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7166 -8.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.8183 -6.8311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7166 -7.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1769 -7.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5994 -5.6658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.4170 -11.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0440 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0247 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0054 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9861 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -8.4780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -7.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9668 -9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9475 -8.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 5 1 0 0 0 0 + 2 3 1 1 0 0 0 + 2 7 1 0 0 0 0 + 3 4 1 1 0 0 0 + 3 6 1 0 0 0 0 + 5 4 1 1 0 0 0 + 5 9 1 0 0 0 0 + 7 8 1 0 0 0 0 + 14 9 1 0 0 0 0 + 9 17 1 0 0 0 0 + 10 11 2 0 0 0 0 + 10 16 1 0 0 0 0 + 10 18 1 0 0 0 0 + 11 12 1 0 0 0 0 + 12 13 2 0 0 0 0 + 13 14 1 0 0 0 0 + 16 14 2 0 0 0 0 + 15 16 1 0 0 0 0 + 15 17 2 0 0 0 0 + 4 19 1 0 0 0 0 + 8 20 1 0 0 0 0 + 20 21 2 0 0 0 0 + 20 22 1 0 0 0 0 + 20 23 1 0 0 0 0 + 23 24 1 0 0 0 0 + 24 25 2 0 0 0 0 + 24 26 1 0 0 0 0 + 24 27 1 0 0 0 0 + 27 28 1 0 0 0 0 + 28 29 2 0 0 0 0 + 28 30 1 0 0 0 0 + 28 31 1 0 0 0 0 +M END +$$$$ diff --git a/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v3000-expected.sdf b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v3000-expected.sdf new file mode 100644 index 0000000000..7db7ced85c --- /dev/null +++ b/ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v3000-expected.sdf @@ -0,0 +1,80 @@ + + -INDIGO-01082514092D + + 0 0 0 0 0 0 0 0 0 0 0 V3000 +M V30 BEGIN CTAB +M V30 COUNTS 31 33 0 0 0 +M V30 BEGIN ATOM +M V30 1 O 16.9074 -9.09999 0.0 0 +M V30 2 C 16.0827 -9.49734 0.0 0 CFG=1 +M V30 3 C 16.3977 -10.2649 0.0 0 CFG=1 +M V30 4 C 17.417 -10.2649 0.0 0 +M V30 5 C 17.732 -9.49734 0.0 0 CFG=2 +M V30 6 O 16.3977 -11.2842 0.0 0 +M V30 7 C 16.0827 -8.47803 0.0 0 +M V30 8 O 15.0634 -8.47803 0.0 0 +M V30 9 N 17.732 -8.47803 0.0 0 +M V30 10 C 19.5994 -6.68514 0.0 0 +M V30 11 N 20.482 -7.19493 0.0 0 +M V30 12 C 20.482 -8.21424 0.0 0 +M V30 13 N 19.5994 -8.7239 0.0 0 +M V30 14 C 18.7166 -8.21424 0.0 0 +M V30 15 N 17.8183 -6.83106 0.0 0 +M V30 16 C 18.7166 -7.19493 0.0 0 +M V30 17 C 17.1769 -7.62316 0.0 0 +M V30 18 N 19.5994 -5.66583 0.0 0 +M V30 19 O 17.417 -11.2842 0.0 0 +M V30 20 P 14.044 -8.47803 0.0 0 +M V30 21 O 14.044 -7.45871 0.0 0 +M V30 22 O 14.044 -9.49734 0.0 0 +M V30 23 O 13.0247 -8.47803 0.0 0 +M V30 24 P 12.0054 -8.47803 0.0 0 +M V30 25 O 12.0054 -7.45871 0.0 0 +M V30 26 O 12.0054 -9.49734 0.0 0 +M V30 27 O 10.9861 -8.47803 0.0 0 +M V30 28 P 9.96678 -8.47803 0.0 0 +M V30 29 O 9.96678 -7.45871 0.0 0 +M V30 30 O 9.96678 -9.49734 0.0 0 +M V30 31 O 8.94747 -8.47803 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 1 5 +M V30 3 1 2 3 CFG=1 +M V30 4 1 2 7 +M V30 5 1 3 4 CFG=1 +M V30 6 1 3 6 +M V30 7 1 5 4 CFG=1 +M V30 8 1 5 9 +M V30 9 1 7 8 +M V30 10 1 14 9 +M V30 11 1 9 17 +M V30 12 2 10 11 +M V30 13 1 10 16 +M V30 14 1 10 18 +M V30 15 1 11 12 +M V30 16 2 12 13 +M V30 17 1 13 14 +M V30 18 2 16 14 +M V30 19 1 15 16 +M V30 20 2 15 17 +M V30 21 1 4 19 +M V30 22 1 8 20 +M V30 23 2 20 21 +M V30 24 1 20 22 +M V30 25 1 20 23 +M V30 26 1 23 24 +M V30 27 2 24 25 +M V30 28 1 24 26 +M V30 29 1 24 27 +M V30 30 1 27 28 +M V30 31 2 28 29 +M V30 32 1 28 30 +M V30 33 1 28 31 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STEABS ATOMS=(3 2 3 5) +M V30 END COLLECTION +M V30 END CTAB +M END +$$$$ diff --git a/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts b/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts index 212ec94435..1f53a7f2a9 100644 --- a/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts +++ b/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts @@ -4,9 +4,12 @@ import { readFileContents, saveToFile } from './readFile'; import { getCdx, getCdxml, + getCml, getKet, getMolfile, getRdf, + getRxn, + getSdf, getSmarts, } from '@utils/formats'; import { selectSaveTool } from '@utils/canvas'; @@ -19,16 +22,26 @@ export enum FileType { CDXML = 'cdxml', SMARTS = 'smarts', MOL = 'mol', + RXN = 'rxn', + CML = 'cml', + SDF = 'sdf', } -const fileTypeHandlers: { [key in FileType]: (page: Page) => Promise } = - { - [FileType.KET]: getKet, - [FileType.CDX]: getCdx, - [FileType.CDXML]: getCdxml, - [FileType.SMARTS]: getSmarts, - [FileType.MOL]: getMolfile, - }; +const fileTypeHandlers: { + [key in FileType]: ( + page: Page, + format?: 'v2000' | 'v3000', + ) => Promise; +} = { + [FileType.KET]: getKet, + [FileType.CDX]: getCdx, + [FileType.CDXML]: getCdxml, + [FileType.SMARTS]: getSmarts, + [FileType.MOL]: getMolfile, + [FileType.RXN]: getRxn, + [FileType.CML]: getCml, + [FileType.SDF]: getSdf, +}; export async function verifyFileExport( page: Page, @@ -44,7 +57,7 @@ export async function verifyFileExport( } // This two lines for creating from scratch or for updating exampled files - const expectedFileContent = await getFileContent(page); + const expectedFileContent = await getFileContent(page, format); await saveToFile(expectedFilename, expectedFileContent); // This line for filtering out example file content (named as fileExpected)

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v-jaS($xaMyQ^=QzDCfmG?-gWyWOgsEsoOkAbs;9(2d~>w3OBPP?mhiK1!%wo diff --git a/package.json b/package.json index 6efdad5902..387b00d245 100644 --- a/package.json +++ b/package.json @@ -15,7 +15,7 @@ "scripts": { "postinstall": "husky install", "precommit": "lint-staged --allow-empty && npm run prettier:write --workspaces --if-present", - "prepush": "npm run test && npm run check:autotests", + "prepush": "npm run test && npm run test:types", "build": "npm run build:packages && npm run build:example", "build:example:standalone": "npm run build:standalone -w example", "build:example:remote": "npm run build:remote -w example", @@ -27,6 +27,7 @@ "build:example": "npm run build -w example", "build:demo": "npm run build:packages && npm run build -w demo", "test": "npm run test --workspace=packages/ketcher-core --workspace=packages/ketcher-react --workspace=packages/ketcher-standalone --workspace=packages/ketcher-macromolecules", + "test:types": "npm run test:types --workspaces", "check:autotests": "cd ketcher-autotests && npm run check:code", "serve:remote": "cd example && npm run serve:remote", "serve:standalone": "cd example && npm run serve:standalone", diff --git a/packages/ketcher-core/src/application/editor/Editor.ts b/packages/ketcher-core/src/application/editor/Editor.ts index a6e2a077ff..888a90c993 100644 --- a/packages/ketcher-core/src/application/editor/Editor.ts +++ b/packages/ketcher-core/src/application/editor/Editor.ts @@ -3,6 +3,7 @@ import { Editor, EditorType } from 'application/editor/editor.types'; import { editorEvents, hotkeysConfiguration, + IEditorEvents, renderersEvents, resetEditorEvents, } from 'application/editor/editorEvents'; @@ -78,8 +79,9 @@ let persistentMonomersLibraryParsedJson: IKetMacromoleculesContent | null = null; let editor; + export class CoreEditor { - public events; + public events: IEditorEvents; public _type: EditorType; public renderersContainer: RenderersManager; @@ -96,6 +98,7 @@ export class CoreEditor { public zoomTool: ZoomTool; // private lastEvent: Event | undefined; private tool?: Tool | BaseTool | undefined; + public get selectedTool(): Tool | BaseTool | undefined { return this.tool; } @@ -103,7 +106,7 @@ export class CoreEditor { public mode: BaseMode; public sequenceTypeEnterMode = SequenceType.RNA; private micromoleculesEditor: Editor; - private hotKeyEventHandler: (event: unknown) => void = () => {}; + private hotKeyEventHandler: (event: KeyboardEvent) => void = () => {}; private copyEventHandler: (event: ClipboardEvent) => void = () => {}; private pasteEventHandler: (event: ClipboardEvent) => void = () => {}; private keydownEventHandler: (event: KeyboardEvent) => void = () => {}; @@ -135,6 +138,7 @@ export class CoreEditor { this.domEventSetup(); this.setupContextMenuEvents(); this.setupKeyboardEvents(); + this.setupHotKeysEvents(); this.setupCopyPasteEvent(); this.canvasOffset = this.canvas.getBoundingClientRect(); this.zoomTool = ZoomTool.initInstance(this.drawingEntitiesManager); @@ -259,7 +263,8 @@ export class CoreEditor { ) as IKetMonomerGroupTemplate[]; } - private handleHotKeyEvents(event) { + private handleHotKeyEvents(event: KeyboardEvent) { + if (!(event.target instanceof HTMLElement)) return; const keySettings = hotkeysConfiguration; const hotKeys = initHotKeys(keySettings); const shortcutKey = keyNorm.lookup(hotKeys, event); @@ -273,9 +278,9 @@ export class CoreEditor { } private setupKeyboardEvents() { - this.setupHotKeysEvents(); this.keydownEventHandler = async (event: KeyboardEvent) => { - await this.mode.onKeyDown(event); + this.events.keyDown.dispatch(event); + if (!event.cancelBubble) await this.mode.onKeyDown(event); }; document.addEventListener('keydown', this.keydownEventHandler); @@ -310,27 +315,27 @@ export class CoreEditor { event.clientY <= canvasBoundingClientRect.bottom; if (eventData instanceof BaseSequenceItemRenderer) { - this.events.rightClickSequence.dispatch( + this.events.rightClickSequence.dispatch([ event, SequenceRenderer.selections, - ); + ]); } else if ( eventData instanceof FlexModePolymerBondRenderer || (eventData instanceof SnakeModePolymerBondRenderer && !(eventData.polymerBond instanceof HydrogenBond)) ) { - this.events.rightClickPolymerBond.dispatch(event, eventData); + this.events.rightClickPolymerBond.dispatch([event, eventData]); } else if ( eventData instanceof BaseMonomerRenderer && eventData.monomer.selected ) { - this.events.rightClickSelectedMonomers.dispatch(event); - this.events.rightClickSelectedMonomers.dispatch( + this.events.rightClickSelectedMonomers.dispatch([event]); + this.events.rightClickSelectedMonomers.dispatch([ event, this.drawingEntitiesManager.selectedEntities .filter(([, drawingEntity]) => drawingEntity instanceof BaseMonomer) .map(([, drawingEntity]) => drawingEntity as BaseMonomer), - ); + ]); } else if (isClickOnCanvas) { this.events.rightClickCanvas.dispatch(event); } @@ -342,7 +347,7 @@ export class CoreEditor { private subscribeEvents() { this.events.selectMonomer.add((monomer) => this.onSelectMonomer(monomer)); this.events.selectPreset.add((preset) => this.onSelectRNAPreset(preset)); - this.events.selectTool.add((tool, options) => + this.events.selectTool.add(([tool, options]) => this.onSelectTool(tool, options), ); this.events.createBondViaModal.add((payload) => this.onCreateBond(payload)); diff --git a/packages/ketcher-core/src/application/editor/editorEvents.ts b/packages/ketcher-core/src/application/editor/editorEvents.ts index 1d77cc92a4..feaad616b7 100644 --- a/packages/ketcher-core/src/application/editor/editorEvents.ts +++ b/packages/ketcher-core/src/application/editor/editorEvents.ts @@ -5,7 +5,60 @@ import ZoomTool from 'application/editor/tools/Zoom'; import { SequenceType } from 'domain/entities/monomer-chains/types'; import { ToolName } from 'application/editor/tools/types'; -export let editorEvents; +export interface IEditorEvents { + selectMonomer: Subscription; + selectPreset: Subscription; + selectTool: Subscription; + createBondViaModal: Subscription; + cancelBondCreationViaModal: Subscription; + selectMode: Subscription; + layoutModeChange: Subscription; + selectHistory: Subscription; + error: Subscription; + openErrorModal: Subscription; + openMonomerConnectionModal: Subscription; + mouseOverPolymerBond: Subscription; + mouseLeavePolymerBond: Subscription; + mouseOnMovePolymerBond: Subscription; + mouseOverMonomer: Subscription; + mouseOnMoveMonomer: Subscription; + mouseLeaveMonomer: Subscription; + mouseOverAttachmentPoint: Subscription; + mouseLeaveAttachmentPoint: Subscription; + mouseUpAttachmentPoint: Subscription; + mouseDownAttachmentPoint: Subscription; + mouseOverDrawingEntity: Subscription; + mouseLeaveDrawingEntity: Subscription; + mouseUpMonomer: Subscription; + rightClickSequence: Subscription; + rightClickCanvas: Subscription; + rightClickPolymerBond: Subscription; + rightClickSelectedMonomers: Subscription; + keyDown: Subscription; + editSequence: Subscription; + startNewSequence: Subscription; + turnOnSequenceEditInRNABuilderMode: Subscription; + turnOffSequenceEditInRNABuilderMode: Subscription; + modifySequenceInRnaBuilder: Subscription; + mouseOverSequenceItem: Subscription; + mouseOnMoveSequenceItem: Subscription; + mouseLeaveSequenceItem: Subscription; + changeSequenceTypeEnterMode: Subscription; + toggleSequenceEditMode: Subscription; + toggleSequenceEditInRNABuilderMode: Subscription; + clickOnSequenceItem: Subscription; + mousedownBetweenSequenceItems: Subscription; + mouseDownOnSequenceItem: Subscription; + doubleClickOnSequenceItem: Subscription; + openConfirmationDialog: Subscription; + mouseUpAtom: Subscription; + updateMonomersLibrary: Subscription; + createAntisenseChain: Subscription; + copySelectedStructure: Subscription; + deleteSelectedStructure: Subscription; +} + +export let editorEvents: IEditorEvents; export function resetEditorEvents() { editorEvents = { @@ -37,6 +90,7 @@ export function resetEditorEvents() { rightClickCanvas: new Subscription(), rightClickPolymerBond: new Subscription(), rightClickSelectedMonomers: new Subscription(), + keyDown: new Subscription(), editSequence: new Subscription(), startNewSequence: new Subscription(), turnOnSequenceEditInRNABuilderMode: new Subscription(), @@ -119,7 +173,7 @@ export const hotkeysConfiguration = { exit: { shortcut: ['Shift+Tab', 'Escape'], handler: (editor: CoreEditor) => { - editor.events.selectTool.dispatch(ToolName.selectRectangle); + editor.events.selectTool.dispatch([ToolName.selectRectangle]); }, }, undo: { @@ -139,15 +193,15 @@ export const hotkeysConfiguration = { handler: (editor: CoreEditor) => { // TODO create an ability to stop event propagation from mode event handlers to keyboard shortcuts handlers if (editor.isSequenceEditMode) return; - editor.events.selectTool.dispatch(ToolName.erase); - editor.events.selectTool.dispatch(ToolName.selectRectangle); + editor.events.selectTool.dispatch([ToolName.erase]); + editor.events.selectTool.dispatch([ToolName.selectRectangle]); }, }, clear: { shortcut: ['Mod+Delete', 'Mod+Backspace'], handler: (editor: CoreEditor) => { - editor.events.selectTool.dispatch(ToolName.clear); - editor.events.selectTool.dispatch(ToolName.selectRectangle); + editor.events.selectTool.dispatch([ToolName.clear]); + editor.events.selectTool.dispatch([ToolName.selectRectangle]); }, }, 'zoom-plus': { @@ -179,7 +233,7 @@ export const hotkeysConfiguration = { hand: { shortcut: 'Mod+Alt+h', handler: (editor: CoreEditor) => { - editor.events.selectTool.dispatch(ToolName.hand); + editor.events.selectTool.dispatch([ToolName.hand]); }, }, }; diff --git a/packages/ketcher-core/src/application/editor/modes/BaseMode.ts b/packages/ketcher-core/src/application/editor/modes/BaseMode.ts index 989e40a9c1..3509d6a495 100644 --- a/packages/ketcher-core/src/application/editor/modes/BaseMode.ts +++ b/packages/ketcher-core/src/application/editor/modes/BaseMode.ts @@ -64,7 +64,7 @@ export abstract class BaseMode { ); if (needRemoveSelection) { - editor.events.selectTool.dispatch('select-rectangle'); + editor.events.selectTool.dispatch(['select-rectangle']); } return command; diff --git a/packages/ketcher-macromolecules/src/Editor.tsx b/packages/ketcher-macromolecules/src/Editor.tsx index 85fd81ac8d..57fe55a340 100644 --- a/packages/ketcher-macromolecules/src/Editor.tsx +++ b/packages/ketcher-macromolecules/src/Editor.tsx @@ -80,7 +80,7 @@ import useSetRnaPresets from './hooks/useSetRnaPresets'; import { Loader } from 'components/Loader'; import { FullscreenButton } from 'components/FullscreenButton'; import { LayoutModeButton } from 'components/LayoutModeButton'; -import { useContextMenu } from 'react-contexify'; +import { TriggerEvent, useContextMenu } from 'react-contexify'; import { CONTEXT_MENU_ID } from 'components/contextMenu/types'; import { SequenceItemContextMenu } from 'components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu'; import { Preview } from 'components/preview/Preview'; @@ -178,7 +178,7 @@ function Editor({ useSetRnaPresets(); useEffect(() => { - editor?.events.rightClickSequence.add((event, selections) => { + editor?.events.rightClickSequence.add(([event, selections]) => { setSelections(selections); showSequenceContextMenu({ event, @@ -188,10 +188,10 @@ function Editor({ }); }); editor?.events.rightClickPolymerBond.add( - ( - event, - polymerBondRenderer: DeprecatedFlexModeOrSnakeModePolymerBondRenderer, - ): void => { + ([event, polymerBondRenderer]: [ + TriggerEvent, + DeprecatedFlexModeOrSnakeModePolymerBondRenderer, + ]): void => { showPolymerBondContextMenu({ event, props: { @@ -201,7 +201,7 @@ function Editor({ }, ); editor?.events.rightClickSelectedMonomers.add( - (event, selectedMonomers: BaseMonomer[]) => { + ([event, selectedMonomers]: [TriggerEvent, BaseMonomer[]]) => { setSelectedMonomers(selectedMonomers); showSelectedMonomersContextMenu({ event, diff --git a/packages/ketcher-macromolecules/src/EditorEvents.tsx b/packages/ketcher-macromolecules/src/EditorEvents.tsx index 9adb27214f..9b821e9fee 100644 --- a/packages/ketcher-macromolecules/src/EditorEvents.tsx +++ b/packages/ketcher-macromolecules/src/EditorEvents.tsx @@ -69,7 +69,7 @@ export const EditorEvents = () => { }, [editor]); useEffect(() => { - const handler = (toolName: string) => { + const handler = ([toolName]: [string]) => { if (toolName !== activeTool) { dispatch(selectTool(toolName)); } @@ -86,7 +86,7 @@ export const EditorEvents = () => { ); dispatch(selectTool('select-rectangle')); - editor.events.selectTool.dispatch('select-rectangle'); + editor.events.selectTool.dispatch(['select-rectangle']); editor.events.openMonomerConnectionModal.add( (additionalProps: MonomerConnectionOnlyProps) => dispatch( @@ -125,7 +125,7 @@ export const EditorEvents = () => { ); useEffect(() => { - const handler = (toolName: string) => { + const handler = ([toolName]: [string]) => { if (toolName !== activeTool) { dispatch(selectTool(toolName)); } @@ -142,7 +142,7 @@ export const EditorEvents = () => { ); dispatch(selectTool('select-rectangle')); - editor.events.selectTool.dispatch('select-rectangle'); + editor.events.selectTool.dispatch(['select-rectangle']); editor.events.openMonomerConnectionModal.add( (additionalProps: MonomerConnectionOnlyProps) => dispatch( diff --git a/packages/ketcher-macromolecules/src/components/LeftMenuComponent/LeftMenuComponent.tsx b/packages/ketcher-macromolecules/src/components/LeftMenuComponent/LeftMenuComponent.tsx index c3c58bf5dd..42e2912cc8 100644 --- a/packages/ketcher-macromolecules/src/components/LeftMenuComponent/LeftMenuComponent.tsx +++ b/packages/ketcher-macromolecules/src/components/LeftMenuComponent/LeftMenuComponent.tsx @@ -33,7 +33,7 @@ export function LeftMenuComponent() { const activeMenuItems = [activeTool]; const menuItemChanged = (name) => { - editor.events.selectTool.dispatch(name, { toolName: name }); + editor.events.selectTool.dispatch([name, { toolName: name }]); }; return ( diff --git a/packages/ketcher-macromolecules/src/components/TopMenuComponent/TopMenuComponent.tsx b/packages/ketcher-macromolecules/src/components/TopMenuComponent/TopMenuComponent.tsx index cdf2bd73ef..a2452b1ce9 100644 --- a/packages/ketcher-macromolecules/src/components/TopMenuComponent/TopMenuComponent.tsx +++ b/packages/ketcher-macromolecules/src/components/TopMenuComponent/TopMenuComponent.tsx @@ -46,9 +46,9 @@ export function TopMenuComponent() { } else if (name === 'undo' || name === 'redo') { editor.events.selectHistory.dispatch(name); } else if (name === 'clear') { - editor.events.selectTool.dispatch(name); + editor.events.selectTool.dispatch([name]); dispatch(selectTool('select-rectangle')); - editor.events.selectTool.dispatch('select-rectangle'); + editor.events.selectTool.dispatch(['select-rectangle']); if (isSequenceEditInRNABuilderMode) resetRnaBuilderAfterSequenceUpdate(dispatch, editor); } diff --git a/packages/ketcher-macromolecules/src/components/contextMenu/RNAContextMenu.tsx b/packages/ketcher-macromolecules/src/components/contextMenu/RNAContextMenu.tsx index 7582a333b4..3044602b50 100644 --- a/packages/ketcher-macromolecules/src/components/contextMenu/RNAContextMenu.tsx +++ b/packages/ketcher-macromolecules/src/components/contextMenu/RNAContextMenu.tsx @@ -8,9 +8,10 @@ import { createPortal } from 'react-dom'; import { KETCHER_MACROMOLECULES_ROOT_NODE_SELECTOR } from 'ketcher-react'; import { selectIsSequenceEditInRNABuilderMode } from 'state/common'; import { ContextMenu } from 'components/contextMenu/ContextMenu'; +import { LIBRARY_TAB_INDEX } from '../../constants'; export const RNAContextMenu = () => { - const RNA_TAB_INDEX = 2; + const RNA_TAB_INDEX = LIBRARY_TAB_INDEX.RNA; const dispatch = useAppDispatch(); const activePresetForContextMenu = useAppSelector( selectActivePresetForContextMenu, diff --git a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx index 0a23585692..8add1a13a4 100644 --- a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx +++ b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx @@ -23,12 +23,18 @@ import { } from 'state/rna-builder'; import { generateSequenceContextMenuProps } from 'components/contextMenu/SequenceItemContextMenu/helpers'; import { ContextMenu } from 'components/contextMenu/ContextMenu'; +import { LIBRARY_TAB_INDEX } from 'src/constants'; type SequenceItemContextMenuType = { selections?: NodesSelection; }; -const RNA_TAB_INDEX = 2; +export enum SequenceItemContextMenuNames { + title = 'sequence_menu_title', + modifyInRnaBuilder = 'modify_in_rna_builder', + editSequence = 'edit_sequence', + startNewSequence = 'start_new_sequence', +} export const SequenceItemContextMenu = ({ selections, @@ -43,7 +49,7 @@ export const SequenceItemContextMenu = ({ const menuItems = [ { - name: 'sequence_menu_title', + name: SequenceItemContextMenuNames.title, title: menuProps?.title, isMenuTitle: true, disabled: true, @@ -59,7 +65,7 @@ export const SequenceItemContextMenu = ({ }, }, { - name: 'modify_in_rna_builder', + name: SequenceItemContextMenuNames.modifyInRnaBuilder, title: 'Modify in RNA Builder...', disabled: !menuProps?.isSelectedOnlyNucleoelements, hidden: ({ @@ -74,7 +80,7 @@ export const SequenceItemContextMenu = ({ }, }, { - name: 'edit_sequence', + name: SequenceItemContextMenuNames.editSequence, title: 'Edit sequence', disabled: false, hidden: ({ @@ -86,7 +92,7 @@ export const SequenceItemContextMenu = ({ }, }, { - name: 'start_new_sequence', + name: SequenceItemContextMenuNames.startNewSequence, title: 'Start new sequence', disabled: false, }, @@ -94,9 +100,9 @@ export const SequenceItemContextMenu = ({ const handleMenuChange = ({ id, props }: ItemParams) => { switch (id) { - case 'modify_in_rna_builder': + case SequenceItemContextMenuNames.modifyInRnaBuilder: editor.events.turnOnSequenceEditInRNABuilderMode.dispatch(); - dispatch(setSelectedTabIndex(RNA_TAB_INDEX)); + dispatch(setSelectedTabIndex(LIBRARY_TAB_INDEX.RNA)); dispatch(setIsEditMode(true)); dispatch(setActivePreset({})); dispatch(setActiveRnaBuilderItem(null)); @@ -115,10 +121,10 @@ export const SequenceItemContextMenu = ({ ); } break; - case 'start_new_sequence': + case SequenceItemContextMenuNames.startNewSequence: editor.events.startNewSequence.dispatch(props.sequenceItemRenderer); break; - case 'edit_sequence': + case SequenceItemContextMenuNames.editSequence: editor.events.editSequence.dispatch(props.sequenceItemRenderer); break; default: diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditor.tsx b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditor.tsx index 501f383594..1b757a8ffe 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditor.tsx +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditor.tsx @@ -81,7 +81,7 @@ export const RnaEditor = ({ duplicatePreset }) => { }; return ( - + { withThemeAndStoreProvider( , { - editor: { editor: { isSequenceEditInRNABuilderMode: true } }, + editor: { + editor: { + isSequenceEditInRNABuilderMode: true, + events: { keyDown: { add: () => true, remove: () => true } }, + }, + }, rnaBuilder: { activePreset: {}, sequenceSelectionName: '2 nucleotides', diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx index 4f779f4938..d9ea1f91f0 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx @@ -61,7 +61,7 @@ import { selectEditor, selectIsSequenceEditInRNABuilderMode, } from 'state/common'; -import { ChangeEvent, useEffect, useState } from 'react'; +import { ChangeEvent, KeyboardEvent, useEffect, useState } from 'react'; import { generateSequenceSelectionGroupNames, generateSequenceSelectionName, @@ -312,7 +312,25 @@ export const RnaEditorExpanded = ({ return sequenceSelectionGroupNames[groupName]; }; - let mainButton; + useEffect(() => { + const handleKeyDown = (event: KeyboardEvent) => { + if (event.key === 'Escape') { + onCancel(); + event.preventDefault(); + event.stopPropagation(); + } else if (event.key === 'Enter') { + isSequenceEditInRNABuilderMode ? onUpdateSequence() : onSave(); + event.preventDefault(); + event.stopPropagation(); + } + }; + editor?.events.keyDown.add(handleKeyDown); + return () => { + editor?.events.keyDown.remove(handleKeyDown); + }; + }, [editor, sequenceSelection]); + + let mainButton: JSX.Element; if (isActivePresetEmpty && !isSequenceEditInRNABuilderMode) { mainButton = ( diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/resetRnaBuilder.ts b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/resetRnaBuilder.ts index 360e8668f5..c03ebc3459 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/resetRnaBuilder.ts +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/resetRnaBuilder.ts @@ -1,5 +1,5 @@ import { AnyAction, Dispatch } from 'redux'; -import { CoreEditor } from 'ketcher-core'; +import { CoreEditor, SequenceMode } from 'ketcher-core'; import { setActivePresetMonomerGroup, setIsEditMode, @@ -22,4 +22,5 @@ export const resetRnaBuilderAfterSequenceUpdate = ( resetRnaBuilderCommon(dispatch); dispatch(setSequenceSelection([])); editor.events.turnOffSequenceEditInRNABuilderMode.dispatch(); + if (editor.mode instanceof SequenceMode) editor.mode.turnOffEditMode(); }; diff --git a/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/FileDrop.module.less b/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/FileDrop.module.less index de1d67be07..ab94712860 100644 --- a/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/FileDrop.module.less +++ b/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/FileDrop.module.less @@ -22,7 +22,18 @@ .isDisabled { cursor: auto; - + box-shadow: @shadow-dropcontainer; + + &:hover { + transform: none !important; + box-shadow: @shadow-dropcontainer; + } + + &:active { + transform: none !important; + box-shadow: @shadow-dropcontainer; + } + svg { filter: grayscale(1); opacity: 0.6; diff --git a/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/OpenOptions.module.less b/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/OpenOptions.module.less index bbafc7b96f..128bfd4b53 100644 --- a/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/OpenOptions.module.less +++ b/packages/ketcher-react/src/script/ui/views/modal/components/document/Open/components/OpenOptions.module.less @@ -39,7 +39,17 @@ justify-content: space-between; box-sizing: border-box; position: relative; - box-shadow: 0 4px 12px @color-dropcontainer-shadow; + box-shadow: @shadow-dropcontainer; + + &:hover { + transform: translateY(-0.5px); + box-shadow: @shadow-dropcontainer-hover; + } + + &:active { + transform: translateY(+0.3px); + box-shadow: @shadow-dropcontainer-active; + } div { margin: 0; @@ -60,7 +70,7 @@ flex-direction: column; justify-content: center; } - + .buttonLabel { color: @color-text-secondary; font-weight: 500; diff --git a/packages/ketcher-react/src/style/variables.less b/packages/ketcher-react/src/style/variables.less index ee6c01d503..def2bd55b0 100644 --- a/packages/ketcher-react/src/style/variables.less +++ b/packages/ketcher-react/src/style/variables.less @@ -107,9 +107,15 @@ // Shadows @color-dropcontainer-shadow: rgba(103, 104, 132, 0.18); +@color-dropcontainer-hover-shadow: rgba(51, 52, 66, 0.22); +@color-dropcontainer-active-shadow: rgba(26, 26, 44, 0.28); @color-open-window-shadow: rgba(103, 104, 132, 0.25); @color-accordion-shadow: rgba(1, 1, 50, 0.1); +@shadow-dropcontainer: 0.5px 4px 12px @color-dropcontainer-shadow; +@shadow-dropcontainer-hover: 1px 5px 13px @color-dropcontainer-hover-shadow; +@shadow-dropcontainer-active: 0.3px 2px 3px @color-dropcontainer-active-shadow; + // Dropdown @color-dropdown-hover: #dddddd; From ac8d70fc12fb320e970ffa10c7fcece8c06904da Mon Sep 17 00:00:00 2001 From: Mikhail Zhirnov <62464241+Zhirnoff@users.noreply.github.com> Date: Thu, 23 Jan 2025 10:59:13 +0300 Subject: [PATCH 4/4] Autotests: #6241 - autotests tests for hash spacing setting for acs style (#6339) * - Add support for additional file types in file export; - Add tests; - Add test files; - Add expected snapshots * - delete duplicated tests --- .../CDXML-Files/cdxml-files.spec.ts | 86 ++ ...o-CDXML-specification-1-chromium-linux.png | Bin 0 -> 25318 bytes ...o-CDXML-specification-1-chromium-linux.png | Bin 0 -> 25318 bytes ...o-CDXML-specification-1-chromium-linux.png | Bin 0 -> 25318 bytes ...o-CDXML-specification-2-chromium-linux.png | Bin 0 -> 25757 bytes ...o-CDXML-specification-2-chromium-linux.png | Bin 0 -> 25757 bytes ...o-CDXML-specification-2-chromium-linux.png | Bin 0 -> 25757 bytes .../Cml-files/cml-files.spec.ts | 34 + ...-to-CML-specification-1-chromium-linux.png | Bin 0 -> 25318 bytes ...-to-CML-specification-2-chromium-linux.png | Bin 0 -> 9242 bytes .../KET-Files/ket-files-properties.spec.ts | 92 ++ ...-to-KET-specification-1-chromium-linux.png | Bin 0 -> 22786 bytes ...-to-KET-specification-2-chromium-linux.png | Bin 0 -> 22838 bytes ...-to-KET-specification-2-chromium-linux.png | Bin 0 -> 27702 bytes ...-to-KET-specification-1-chromium-linux.png | Bin 0 -> 27686 bytes ...-to-KET-specification-2-chromium-linux.png | Bin 0 -> 25558 bytes ...-to-KET-specification-3-chromium-linux.png | Bin 0 -> 25558 bytes ...-to-KET-specification-1-chromium-linux.png | Bin 0 -> 26554 bytes .../Rxn-Files/rxn-files.spec.ts | 231 +++++ ...ld-be-save-to-RXN3000-1-chromium-linux.png | Bin 0 -> 10823 bytes ...ld-be-save-to-RXN2000-1-chromium-linux.png | Bin 0 -> 25990 bytes ...ld-be-save-to-RXN3000-1-chromium-linux.png | Bin 0 -> 25990 bytes ...ld-be-save-to-RXN3000-1-chromium-linux.png | Bin 0 -> 25219 bytes ...ld-be-save-to-RXN3000-1-chromium-linux.png | Bin 0 -> 22470 bytes ...ld-be-save-to-RXN2000-1-chromium-linux.png | Bin 0 -> 10815 bytes ...ld-be-save-to-RXN2000-1-chromium-linux.png | Bin 0 -> 25245 bytes ...ld-be-save-to-RXN2000-1-chromium-linux.png | Bin 0 -> 22464 bytes .../SDF-Files/sdf-files.spec.ts | 186 ++++ ...save-to-sdf-2000-file-1-chromium-linux.png | Bin 0 -> 16554 bytes ...save-to-sdf-2000-file-2-chromium-linux.png | Bin 0 -> 16614 bytes ...save-to-sdf-3000-file-1-chromium-linux.png | Bin 0 -> 16554 bytes ...save-to-sdf-3000-file-2-chromium-linux.png | Bin 0 -> 16588 bytes ...save-to-sdf-2000-file-1-chromium-linux.png | Bin 0 -> 16554 bytes ...save-to-sdf-2000-file-2-chromium-linux.png | Bin 0 -> 16614 bytes ...save-to-sdf-3000-file-1-chromium-linux.png | Bin 0 -> 16554 bytes ...save-to-sdf-3000-file-2-chromium-linux.png | Bin 0 -> 16588 bytes ...save-to-sdf-2000-file-1-chromium-linux.png | Bin 0 -> 16554 bytes ...save-to-sdf-2000-file-2-chromium-linux.png | Bin 0 -> 16614 bytes ...save-to-sdf-3000-file-1-chromium-linux.png | Bin 0 -> 16554 bytes ...save-to-sdf-3000-file-2-chromium-linux.png | Bin 0 -> 16588 bytes ...th-catalyst-cm-hash-spacing-expected.cdxml | 212 +++++ ...-catalyst-inch-hash-spacing-expected.cdxml | 212 +++++ ...th-catalyst-pt-hash-spacing-expected.cdxml | 212 +++++ ...with-catalyst-pt-hash-spacing-expected.cml | 188 ++++ ...with-catalyst-px-hash-spacing-expected.ket | 849 +++++++++++++++++ ...gonally-arrow-pt-hash-spacing-expected.ket | 901 ++++++++++++++++++ ...ng-molecule-inch-hash-spacing-expected.ket | 608 ++++++++++++ ...with-catalyst-px-hash-spacing-expected.rxn | 132 +++ ...gonally-arrow-pt-hash-spacing-expected.rxn | 140 +++ ...-dif-elements-cm-hash-spacing-expected.rxn | 105 ++ ...ng-molecule-inch-hash-spacing-expected.rxn | 93 ++ ...with-catalyst-px-hash-spacing-expected.rxn | 150 +++ ...gonally-arrow-pt-hash-spacing-expected.rxn | 158 +++ ...-dif-elements-cm-hash-spacing-expected.rxn | 124 +++ ...ng-molecule-inch-hash-spacing-expected.rxn | 104 ++ ...osphate-cm-hash-spacing-v2000-expected.sdf | 70 ++ ...osphate-cm-hash-spacing-v3000-expected.sdf | 80 ++ ...phate-inch-hash-spacing-v2000-expected.sdf | 70 ++ ...phate-inch-hash-spacing-v3000-expected.sdf | 80 ++ ...osphate-px-hash-spacing-v2000-expected.sdf | 70 ++ ...osphate-px-hash-spacing-v3000-expected.sdf | 80 ++ .../utils/files/receiveFileComparisonData.ts | 31 +- 62 files changed, 5289 insertions(+), 9 deletions(-) create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-04d57--and-it-should-be-save-to-CDXML-specification-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-383f1--and-it-should-be-save-to-CDXML-specification-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-65ca2--and-it-should-be-save-to-CDXML-specification-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-6f8ea--and-it-should-be-save-to-CDXML-specification-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-ed0da--and-it-should-be-save-to-CDXML-specification-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-f6e10--and-it-should-be-save-to-CDXML-specification-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Cml-files/cml-files.spec.ts-snapshots/CML-files-The-Hash-spacing-setting-with-pt-opt-34d79-ut-and-it-should-be-save-to-CML-specification-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Cml-files/cml-files.spec.ts-snapshots/CML-files-The-Hash-spacing-setting-with-pt-opt-fd2b8-ut-and-it-should-be-save-to-CML-specification-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/KET-Files/ket-files-properties.spec.ts-snapshots/Ket-files-The-Hash-spacing-setting-with-inch-o-102ee-ut-and-it-should-be-save-to-KET-specification-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/KET-Files/ket-files-properties.spec.ts-snapshots/Ket-files-The-Hash-spacing-setting-with-inch-o-9ff47-ut-and-it-should-be-save-to-KET-specification-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/KET-Files/ket-files-properties.spec.ts-snapshots/Ket-files-The-Hash-spacing-setting-with-pt-opt-5324a-ut-and-it-should-be-save-to-KET-specification-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/KET-Files/ket-files-properties.spec.ts-snapshots/Ket-files-The-Hash-spacing-setting-with-pt-opt-dc534-ut-and-it-should-be-save-to-KET-specification-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/KET-Files/ket-files-properties.spec.ts-snapshots/Ket-files-The-Hash-spacing-setting-with-px-opt-176d0-t-and-it-should-be-saved-to-KET-specification-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/KET-Files/ket-files-properties.spec.ts-snapshots/Ket-files-The-Hash-spacing-setting-with-px-opt-6231d-t-and-it-should-be-saved-to-KET-specification-3-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/KET-Files/ket-files-properties.spec.ts-snapshots/Ket-files-The-Hash-spacing-setting-with-px-opt-fc4b4-t-and-it-should-be-saved-to-KET-specification-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-0385f-n-is-applied-and-it-should-be-save-to-RXN3000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-426ff-n-is-applied-and-it-should-be-save-to-RXN2000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-5d453-n-is-applied-and-it-should-be-save-to-RXN3000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-628f9-n-is-applied-and-it-should-be-save-to-RXN3000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-679fd-n-is-applied-and-it-should-be-save-to-RXN3000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-946f2-n-is-applied-and-it-should-be-save-to-RXN2000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-ac04b-n-is-applied-and-it-should-be-save-to-RXN2000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-b266e-n-is-applied-and-it-should-be-save-to-RXN2000-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-cm-option-is-applied-and-it-should-be-save-to-sdf-2000-file-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-cm-option-is-applied-and-it-should-be-save-to-sdf-2000-file-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-cm-option-is-applied-and-it-should-be-save-to-sdf-3000-file-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-cm-option-is-applied-and-it-should-be-save-to-sdf-3000-file-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-inch-option-is-applied-and-it-should-be-save-to-sdf-2000-file-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-inch-option-is-applied-and-it-should-be-save-to-sdf-2000-file-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-inch-option-is-applied-and-it-should-be-save-to-sdf-3000-file-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-inch-option-is-applied-and-it-should-be-save-to-sdf-3000-file-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-px-option-is-applied-and-it-should-be-save-to-sdf-2000-file-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-px-option-is-applied-and-it-should-be-save-to-sdf-2000-file-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-px-option-is-applied-and-it-should-be-save-to-sdf-3000-file-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/File-Management/Open-And-Save-Files/SDF-Files/sdf-files.spec.ts-snapshots/The-Hash-spacing-setting-with-px-option-is-applied-and-it-should-be-save-to-sdf-3000-file-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-cm-hash-spacing-expected.cdxml create mode 100644 ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-inch-hash-spacing-expected.cdxml create mode 100644 ketcher-autotests/tests/test-data/CDXML/layout-with-catalyst-pt-hash-spacing-expected.cdxml create mode 100644 ketcher-autotests/tests/test-data/CML/layout-with-catalyst-pt-hash-spacing-expected.cml create mode 100644 ketcher-autotests/tests/test-data/KET/layout-with-catalyst-px-hash-spacing-expected.ket create mode 100644 ketcher-autotests/tests/test-data/KET/layout-with-diagonally-arrow-pt-hash-spacing-expected.ket create mode 100644 ketcher-autotests/tests/test-data/KET/layout-with-long-molecule-inch-hash-spacing-expected.ket create mode 100644 ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-catalyst-px-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-dif-elements-cm-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/Rxn-V2000/layout-with-long-molecule-inch-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-catalyst-px-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-dif-elements-cm-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/Rxn-V3000/layout-with-long-molecule-inch-hash-spacing-expected.rxn create mode 100644 ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v2000-expected.sdf create mode 100644 ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-cm-hash-spacing-v3000-expected.sdf create mode 100644 ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v2000-expected.sdf create mode 100644 ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-inch-hash-spacing-v3000-expected.sdf create mode 100644 ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v2000-expected.sdf create mode 100644 ketcher-autotests/tests/test-data/SDF/adenosine-triphosphate-px-hash-spacing-v3000-expected.sdf diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts index 9b945dd0de..0654a57686 100644 --- a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts +++ b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts @@ -21,6 +21,8 @@ import { selectAllStructuresOnCanvas, selectClearCanvasTool, selectLayoutTool, + setHashSpacingOptionUnit, + setHashSpacingValue, } from '@utils'; import { FileType, @@ -485,6 +487,90 @@ test.describe('Tests for API setMolecule/getMolecule', () => { await takeEditorScreenshot(page); }); + test('The Hash spacing setting with pt option is applied, click on layout and it should be save to CDXML specification', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied, click on layout and it should be save to CDXML specification + */ + await openFileAndAddToCanvas('KET/layout-with-catalyst.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'pt-option'); + await setHashSpacingValue(page, '54.8'); + await pressButton(page, 'Apply'); + await selectTopPanelButton(TopPanelButton.Layout, page); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'CDXML/layout-with-catalyst-pt-hash-spacing-expected.cdxml', + FileType.CDXML, + ); + await openFileAndAddToCanvasAsNewProject( + 'CDXML/layout-with-catalyst-pt-hash-spacing-expected.cdxml', + page, + ); + await takeEditorScreenshot(page); + }); + + test('The Hash spacing setting with cm option is applied, click on layout and it should be save to CDXML specification', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied, click on layout and it should be save to CDXML specification + */ + await openFileAndAddToCanvas('KET/layout-with-catalyst.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'cm-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await selectTopPanelButton(TopPanelButton.Layout, page); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'CDXML/layout-with-catalyst-cm-hash-spacing-expected.cdxml', + FileType.CDXML, + ); + await openFileAndAddToCanvasAsNewProject( + 'CDXML/layout-with-catalyst-cm-hash-spacing-expected.cdxml', + page, + ); + await takeEditorScreenshot(page); + }); + + test('The Hash spacing setting with inch option is applied, click on layout and it should be save to CDXML specification', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied, click on layout and it should be save to CDXML specification + */ + await openFileAndAddToCanvas('KET/layout-with-catalyst.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'inch-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await selectTopPanelButton(TopPanelButton.Layout, page); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'CDXML/layout-with-catalyst-inch-hash-spacing-expected.cdxml', + FileType.CDXML, + ); + await openFileAndAddToCanvasAsNewProject( + 'CDXML/layout-with-catalyst-inch-hash-spacing-expected.cdxml', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Reaction component margin size setting with px option is applied, click on layout and it should be save to CDXML specification', async ({ page, }) => { diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-04d57--and-it-should-be-save-to-CDXML-specification-1-chromium-linux.png b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/CDXML-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-The-Hash-04d57--and-it-should-be-save-to-CDXML-specification-1-chromium-linux.png new file mode 100644 index 0000000000000000000000000000000000000000..ac15d89444f5d907ec4490538c688d9baca7a7d9 GIT binary patch literal 25318 zcmeFZgYBK+UFbx&t(O1bcG>KDXz?w|EOtG)2PfRf z&fIX#nGYdj)qiM8vG>ofrffyR1*K 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functions + The Hash spacing setting is applied, click on layout and it should be save to CML specification + */ + await openFileAndAddToCanvas('KET/layout-with-catalyst.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'pt-option'); + await setHashSpacingValue(page, '54.8'); + await pressButton(page, 'Apply'); + await selectLayoutTool(page); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'CML/layout-with-catalyst-pt-hash-spacing-expected.cml', + FileType.CML, + ); + await openFileAndAddToCanvasAsNewProject( + 'CML/layout-with-catalyst-pt-hash-spacing-expected.cml', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Reaction component margin size setting with cm option is applied, click on layout and it should be save to CML specification', async ({ page, }) => { diff --git 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pressButton, scrollToDownInSetting, selectLayoutTool, setBondLengthOptionUnit, setBondLengthValue, + setHashSpacingOptionUnit, + setHashSpacingValue, setReactionMarginSizeOptionUnit, setReactionMarginSizeValue, takeEditorScreenshot, @@ -98,6 +102,36 @@ test.describe('Ket files', () => { ); }); + test('The Hash spacing setting with px option is applied, click on layout and it should be saved to KET specification', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions. + The Hash spacing setting is applied, click on layout, and it should be saved to KET specification. + */ + await openFileAndAddToCanvas('KET/layout-with-catalyst.ket', page); + await takeEditorScreenshot(page); + await openSettings(page); + await bondsSettings(page); + await scrollToDownInSetting(page); + await setHashSpacingOptionUnit(page, 'px-option'); + await setHashSpacingValue(page, '57.8'); + await pressButton(page, 'Apply'); + await selectLayoutTool(page); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'KET/layout-with-catalyst-px-hash-spacing-expected.ket', + FileType.KET, + ); + await openFileAndAddToCanvasAsNewProject( + 'KET/layout-with-catalyst-px-hash-spacing-expected.ket', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Bond length setting with pt option is applied, click on layout and it should be save to KET specification', async ({ page, }) => { @@ -123,6 +157,35 @@ test.describe('Ket files', () => { ); }); + test('The Hash spacing setting with pt option is applied, click on layout and it should be save to KET specification', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied, click on layout and it should be save to KET specification + */ + await openFileAndAddToCanvas('KET/layout-with-diagonally-arrow.ket', page); + await openSettings(page); + await bondsSettings(page); + await scrollToDownInSetting(page); + await setHashSpacingOptionUnit(page, 'pt-option'); + await setHashSpacingValue(page, '27.8'); + await pressButton(page, 'Apply'); + await selectLayoutTool(page); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'KET/layout-with-diagonally-arrow-pt-hash-spacing-expected.ket', + FileType.KET, + ); + await openFileAndAddToCanvasAsNewProject( + 'KET/layout-with-diagonally-arrow-pt-hash-spacing-expected.ket', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Bond length setting with inch option is applied, click on layout and it should be save to KET specification', async ({ page, }) => { @@ -148,6 +211,35 @@ test.describe('Ket files', () => { ); }); + test('The Hash spacing setting with inch option is applied, click on layout and it should be save to KET specification', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied, click on layout and it should be save to KET specification + */ + await openFileAndAddToCanvas('KET/layout-with-long-molecule.ket', page); + await openSettings(page); + await bondsSettings(page); + await scrollToDownInSetting(page); + await setHashSpacingOptionUnit(page, 'inch-option'); + await setHashSpacingValue(page, '1.8'); + await pressButton(page, 'Apply'); + await selectLayoutTool(page); + await takeEditorScreenshot(page); + await verifyFileExport( + page, + 'KET/layout-with-long-molecule-inch-hash-spacing-expected.ket', + FileType.KET, + ); + await openFileAndAddToCanvasAsNewProject( + 'KET/layout-with-long-molecule-inch-hash-spacing-expected.ket', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Reaction component margin size setting with px option is applied, click on 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index d9c73b6b5c..56177f32b2 100644 --- a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts +++ b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts @@ -31,9 +31,15 @@ import { openSettings, clickOnCanvas, selectLayoutTool, + setHashSpacingValue, + setHashSpacingOptionUnit, } from '@utils'; import { getRxn } from '@utils/formats'; import { drawReactionWithTwoBenzeneRings } from '@utils/canvas/drawStructures'; +import { + FileType, + verifyFileExport, +} from '@utils/files/receiveFileComparisonData'; /* eslint-disable no-magic-numbers */ async function savedFileInfoStartsWithRxn(page: Page, wantedResult = false) { @@ -1210,6 +1216,63 @@ test.describe('Tests for Open and Save RXN file operations', () => { expect(rxnFile).toEqual(rxnFileExpected); }); + test('The Hash spacing setting with px option is applied and it should be save to RXN2000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN2000 + */ + await openFileAndAddToCanvas('KET/layout-with-catalyst.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'px-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V2000/layout-with-catalyst-px-hash-spacing-expected.rxn', + FileType.RXN, + 'v2000', + [2, 7, 34, 65, 100, 118], + ); + + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V2000/layout-with-catalyst-px-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + + test('The Hash spacing setting with px option is applied and it should be save to RXN3000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN3000 + */ + await openFileAndAddToCanvas('KET/layout-with-catalyst.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'px-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V3000/layout-with-catalyst-px-hash-spacing-expected.rxn', + FileType.RXN, + 'v3000', + [2], + ); + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V3000/layout-with-catalyst-px-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Bond length setting with pt option is applied and it should be save to RXN2000', async ({ page, }) => { @@ -1243,6 +1306,62 @@ test.describe('Tests for Open and Save RXN file operations', () => { expect(rxnFile).toEqual(rxnFileExpected); }); + test('The Hash spacing setting with pt option is applied and it should be save to RXN2000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN2000 + */ + await openFileAndAddToCanvas('KET/layout-with-diagonally-arrow.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'pt-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V2000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn', + FileType.RXN, + 'v2000', + [2, 7, 44, 106, 128, 135], + ); + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V2000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + + test('The Hash spacing setting with pt option is applied and it should be save to RXN3000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN3000 + */ + await openFileAndAddToCanvas('KET/layout-with-diagonally-arrow.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'pt-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V3000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn', + FileType.RXN, + 'v3000', + [2], + ); + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V3000/layout-with-diagonally-arrow-pt-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Bond length setting with cm option is applied and it should be save to RXN2000', async ({ page, }) => { @@ -1278,6 +1397,62 @@ test.describe('Tests for Open and Save RXN file operations', () => { expect(rxnFile).toEqual(rxnFileExpected); }); + test('The Hash spacing setting with cm option is applied and it should be save to RXN2000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN2000 + */ + await openFileAndAddToCanvas('KET/layout-with-dif-elements.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'cm-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V2000/layout-with-dif-elements-cm-hash-spacing-expected.rxn', + FileType.RXN, + 'v2000', + [2, 7, 14, 21, 28, 35, 53, 60, 67, 74, 81, 93, 100], + ); + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V2000/layout-with-dif-elements-cm-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + + test('The Hash spacing setting with cm option is applied and it should be save to RXN3000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN3000 + */ + await openFileAndAddToCanvas('KET/layout-with-dif-elements.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'cm-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V3000/layout-with-dif-elements-cm-hash-spacing-expected.rxn', + FileType.RXN, + 'v3000', + [2], + ); + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V3000/layout-with-dif-elements-cm-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Bond length setting with inch option is applied and it should be save to RXN2000', async ({ page, }) => { @@ -1311,6 +1486,62 @@ test.describe('Tests for Open and Save RXN file operations', () => { expect(rxnFile).toEqual(rxnFileExpected); }); + test('The Hash spacing setting with inch option is applied and it should be save to RXN2000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN2000 + */ + await openFileAndAddToCanvas('KET/layout-with-long-molecule.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'inch-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V2000/layout-with-long-molecule-inch-hash-spacing-expected.rxn', + FileType.RXN, + 'v2000', + [2, 7, 32, 54], + ); + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V2000/layout-with-long-molecule-inch-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + + test('The Hash spacing setting with inch option is applied and it should be save to RXN3000', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/Indigo/issues/2176 + Description: Add new settings for ACS style for convert and layout functions + The Hash spacing setting is applied and it should be save to RXN3000 + */ + await openFileAndAddToCanvas('KET/layout-with-long-molecule.ket', page); + await openSettings(page); + await bondsSettings(page); + await setHashSpacingOptionUnit(page, 'inch-option'); + await setHashSpacingValue(page, '7.8'); + await pressButton(page, 'Apply'); + await verifyFileExport( + page, + 'Rxn-V3000/layout-with-long-molecule-inch-hash-spacing-expected.rxn', + FileType.RXN, + 'v3000', + [2], + ); + await openFileAndAddToCanvasAsNewProject( + 'Rxn-V3000/layout-with-long-molecule-inch-hash-spacing-expected.rxn', + page, + ); + await takeEditorScreenshot(page); + }); + test('The Reaction component margin size setting with px option is applied, click on layout and it should be save to RXN2000', async ({ page, }) => { diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-0385f-n-is-applied-and-it-should-be-save-to-RXN3000-1-chromium-linux.png b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Rxn-Files/rxn-files.spec.ts-snapshots/Tests-for-Open-and-Save-RXN-file-operations-Th-0385f-n-is-applied-and-it-should-be-save-to-RXN3000-1-chromium-linux.png new file mode 100644 index 0000000000000000000000000000000000000000..b7a0e67375c8a4df2e7e30e5a66c5ab991744611 GIT binary patch literal 10823 zcmeHtS6q`>*L^IA$_O)~f=bhIMg;^$X;Nbu@q(*9hgv4G@L8S>1g3_dh z9w3mYj36LHI)oAh0@6YWBtQuHHvZoK-T%A$F6D+i$y3gG&faUUwf1>*&cbBd);(Jh 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