diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Image-files/image-files.spec.ts b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Image-files/image-files.spec.ts index 968bb3e39d..fa48ce90f0 100755 --- a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Image-files/image-files.spec.ts +++ b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/Image-files/image-files.spec.ts @@ -28,7 +28,9 @@ import { saveToTemplates, screenshotBetweenUndoRedo, selectAllStructuresOnCanvas, + selectAromatizeTool, selectClearCanvasTool, + selectDearomatizeTool, selectEraseTool, selectLeftPanelButton, selectRectangleSelectionTool, @@ -1285,9 +1287,9 @@ test.describe('Image files', () => { page, ); await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Aromatize, page); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Dearomatize, page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); await verifyFileExport( page, diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts index 698500b406..2318e99776 100644 --- a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts +++ b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts @@ -1,24 +1,23 @@ /* eslint-disable no-magic-numbers */ import { expect, test } from '@playwright/test'; import { - selectTopPanelButton, - openFileAndAddToCanvas, - TopPanelButton, - takeEditorScreenshot, - copyAndPaste, - cutAndPaste, - selectRing, + AtomButton, RingButton, clickInTheMiddleOfTheScreen, - selectAtomInToolbar, - AtomButton, - selectAllStructuresOnCanvas, + clickOnCanvas, + copyAndPaste, + cutAndPaste, + openFileAndAddToCanvas, + openFileAndAddToCanvasAsNewProject, receiveFileComparisonData, saveToFile, - waitForSpinnerFinishedWork, + selectAllStructuresOnCanvas, + selectAromatizeTool, + selectAtomInToolbar, + selectDearomatizeTool, + selectRing, + takeEditorScreenshot, waitForPageInit, - openFileAndAddToCanvasAsNewProject, - clickOnCanvas, } from '@utils'; import { getCml, getMolfile, getRxn, getSmiles } from '@utils/formats'; import { @@ -39,8 +38,8 @@ test.describe('Aromatize/Dearomatize Tool', () => { Test case: EPMLSOPKET-1867 Description: Nothing is changed. */ - await selectTopPanelButton(TopPanelButton.Aromatize, page); - await selectTopPanelButton(TopPanelButton.Dearomatize, page); + await selectAromatizeTool(page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); @@ -50,13 +49,9 @@ test.describe('Aromatize/Dearomatize Tool', () => { Description: Nothing is changed on the canvas because only non-aromatic structures are present on the canvas. */ await openFileAndAddToCanvas('Molfiles-V2000/non-aromatic.mol', page); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); @@ -71,13 +66,9 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'Molfiles-V2000/non-aromatic-structures.mol', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); @@ -95,13 +86,9 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'Molfiles-V2000/aromatic-structures.mol', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); @@ -117,13 +104,9 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'Molfiles-V2000/cycles-with-aromatic-bonds.mol', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); @@ -139,12 +122,8 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'Molfiles-V2000/cycles-with-aromatic-bonds.mol', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectAromatizeTool(page); + await selectDearomatizeTool(page); await pressUndoButton(page); await takeEditorScreenshot(page); await pressRedoButton(page); @@ -166,9 +145,7 @@ test.describe('Aromatize/Dearomatize Tool', () => { ); await copyAndPaste(page); await clickOnCanvas(page, CANVAS_CLICK_X, CANVAS_CLICK_Y); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); }); @@ -186,9 +163,7 @@ test.describe('Aromatize/Dearomatize Tool', () => { ); await cutAndPaste(page); await clickOnCanvas(page, CANVAS_CLICK_X, CANVAS_CLICK_Y); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); }); @@ -202,9 +177,7 @@ test.describe('Aromatize/Dearomatize Tool', () => { */ await selectRing(RingButton.Benzene, page); await clickInTheMiddleOfTheScreen(page); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await selectAllStructuresOnCanvas(page); await selectAtomInToolbar(AtomButton.Nitrogen, page); await takeEditorScreenshot(page); @@ -420,9 +393,7 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'KET/all-possible-query-features-with-out-custom-query.ket', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); }, ); @@ -451,12 +422,8 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'KET/all-possible-query-features-with-out-custom-query.ket', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectAromatizeTool(page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }, ); @@ -480,9 +447,7 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'KET/all-possible-custom-query-features.ket', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); }); @@ -506,12 +471,8 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'KET/all-possible-custom-query-features.ket', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectAromatizeTool(page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); @@ -526,9 +487,7 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'KET/schema-with-retrosynthetic-arrow-for-options.ket', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); }); @@ -543,12 +502,8 @@ test.describe('Aromatize/Dearomatize Tool', () => { 'KET/schema-with-retrosynthetic-arrow-for-options.ket', page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectAromatizeTool(page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); }); diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/implicit-hydrogen-after-aromatize.spec.ts b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/implicit-hydrogen-after-aromatize.spec.ts index d14bdd41c9..b6151e7727 100644 --- a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/implicit-hydrogen-after-aromatize.spec.ts +++ b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/implicit-hydrogen-after-aromatize.spec.ts @@ -1,11 +1,9 @@ import { test } from '@playwright/test'; import { - TopPanelButton, openFileAndAddToCanvas, - selectTopPanelButton, + selectAromatizeTool, takeEditorScreenshot, waitForPageInit, - waitForSpinnerFinishedWork, } from '@utils'; test.describe('Shows correctly implicit Hydrogen after aromatize', () => { @@ -30,9 +28,7 @@ test.describe('Shows correctly implicit Hydrogen after aromatize', () => { `KET/Implicit-Hydrogen-After-Aromatize/${fileName}`, page, ); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); }); } diff --git a/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts b/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts index 9b0718ccdd..4f060409e9 100644 --- a/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts +++ b/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts @@ -27,6 +27,7 @@ import { openFileAndAddToCanvasAsNewProject, selectAllStructuresOnCanvas, clickOnCanvas, + selectAromatizeTool, } from '@utils'; import { getAtomByIndex } from '@utils/canvas/atoms'; import { getBondByIndex } from '@utils/canvas/bonds'; @@ -302,9 +303,7 @@ test.describe('Indigo Tools - Calculate CIP Tool', () => { }); await takeEditorScreenshot(page); - await waitForSpinnerFinishedWork(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); await pressUndoButton(page); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chain-layout.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chain-layout.spec.ts new file mode 100644 index 0000000000..a209b62f91 --- /dev/null +++ b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chain-layout.spec.ts @@ -0,0 +1,945 @@ +/* eslint-disable max-len */ +/* eslint-disable no-magic-numbers */ +import { turnOnMacromoleculesEditor } from '@utils/macromolecules'; +import { Page, test } from '@playwright/test'; +import { + takeEditorScreenshot, + selectClearCanvasTool, + waitForPageInit, + MacroFileType, + pasteFromClipboardAndAddToMacromoleculesCanvas, + selectSnakeLayoutModeTool, + openFileAndAddToCanvasMacro, + selectFlexLayoutModeTool, + MonomerType, + ZoomInByKeyboard, + resetZoomLevelToDefault, + moveMouseAway, + selectAllStructuresOnCanvas, + selectSequenceLayoutModeTool, +} from '@utils'; +import { pageReload } from '@utils/common/helpers'; +import { getMonomerLocator } from '@utils/macromolecules/monomer'; +import { bondTwoMonomers } from '@utils/macromolecules/polymerBond'; +import { MacroBondTool } from '@utils/canvas/tools/selectNestedTool/types'; + +let page: Page; + +test.beforeAll(async ({ browser }) => { + const context = await browser.newContext(); + page = await context.newPage(); + + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + await selectSnakeLayoutModeTool(page); +}); + +test.afterEach(async () => { + await selectClearCanvasTool(page); +}); + +test.afterAll(async ({ browser }) => { + await Promise.all(browser.contexts().map((context) => context.close())); +}); + +interface IMonomer { + id: number; + monomerDescription: string; + alias?: string; + type: MonomerType | 'Nucleotide' | 'Nucleoside'; + contentType: MacroFileType.Ket | MacroFileType.HELM; + KETFile?: string; + HELMString?: string; + eligibleForAntisense: boolean; + baseWithR3R1ConnectionPresent: boolean; + monomerLocatorIndex: number; + // Set shouldFail to true if you expect test to fail because of existed bug and put issues link to issueNumber + shouldFail?: boolean; + // issueNumber is mandatory if shouldFail === true + issueNumber?: string; + // set pageReloadNeeded to true if you need to restart ketcher before test (f.ex. to restart font renderer) + pageReloadNeeded?: boolean; +} + +interface IPolymer { + polymerDescription?: string; + contentType: MacroFileType.Ket | MacroFileType.HELM; + KETFile?: string; + HELMString?: string; + checks: ('side chain' | '')[]; + monomerLocatorIndex: number; + // Set shouldFail to true if you expect test to fail because of existed bug and put issues link to issueNumber + shouldFail?: boolean; + // issueNumber is mandatory if shouldFail === true + issueNumber?: string; + // set pageReloadNeeded to true if you need to restart ketcher before test (f.ex. to restart font renderer) + pageReloadNeeded?: boolean; +} + +async function loadMonomerOnCanvas( + page: Page, + polymer: IPolymer | IMonomer, + pageReloadNeeded = false, +) { + if (pageReloadNeeded) await pageReload(page); + + if (polymer.HELMString) { + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + polymer.HELMString, + ); + } + if (polymer.KETFile) { + await openFileAndAddToCanvasMacro(polymer.KETFile, page); + } +} + +const shortMonomerList: IMonomer[] = [ + { + id: 1, + monomerDescription: '1. Peptide A (from library)', + alias: 'A', + type: MonomerType.Peptide, + contentType: MacroFileType.HELM, + HELMString: 'PEPTIDE1{A}$$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 2, + monomerDescription: '2. Ambiguous peptide X (alternatives, from library)', + alias: 'X', + type: MonomerType.Peptide, + contentType: MacroFileType.HELM, + HELMString: + 'PEPTIDE1{(A,C,D,E,F,G,H,I,K,L,M,N,O,P,Q,R,S,T,U,V,W,Y)}$$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 3, + monomerDescription: '3. Sugar R (from library)', + alias: 'R', + type: MonomerType.Sugar, + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R}$$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 4, + monomerDescription: '4. Base A (from library)', + alias: 'A', + type: MonomerType.Base, + contentType: MacroFileType.Ket, + KETFile: 'KET/Antisense-Chains/8. Base A (from library).ket', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 5, + monomerDescription: '5. Ambiguous DNA Base N (alternatives, from library)', + alias: 'N', + type: MonomerType.Base, + contentType: MacroFileType.Ket, + KETFile: + 'KET/Antisense-Chains/9. Ambiguous DNA Base N (alternatives, from library).ket', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 6, + monomerDescription: '6. Phosphate P (from library)', + alias: 'P', + type: MonomerType.Phosphate, + contentType: MacroFileType.HELM, + HELMString: 'RNA1{P}$$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 7, + monomerDescription: '7. Unsplit monomer 2-damdA (from library)', + alias: '2-damdA', + type: MonomerType.UnresovedNucleotide, + contentType: MacroFileType.Ket, + KETFile: + 'KET/Antisense-Chains/18. Unsplit monomer 2-damdA (from library).ket', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 8, + monomerDescription: '8. Unknown monomer', + alias: 'Unknown', + type: MonomerType.UnknownMonomer, + contentType: MacroFileType.Ket, + KETFile: 'KET/Antisense-Chains/19. Unknown monomer.ket', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 9, + monomerDescription: '9. CHEM 4aPEGMal (from library)', + alias: '4aPEGMal', + type: MonomerType.CHEM, + contentType: MacroFileType.HELM, + HELMString: 'CHEM1{[4aPEGMal]}$$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: false, + monomerLocatorIndex: 0, + }, + { + id: 10, + monomerDescription: '10. Nucleoside - R(A)', + alias: 'A', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A)}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 11, + monomerDescription: '11. Nucleotide A - R(A)P', + alias: 'A', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A)P}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 12, + monomerDescription: + '12. Nucleotide of DNA base N with sugar R and phosphate P - R(A,C,G,T)P', + alias: 'N', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A,C,G,T)P}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 13, + monomerDescription: + '13. Nucleoside of sugar R, base that have extra covalent bond - R([nC6n8A])', + alias: 'nC6n8A', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: + 'RNA1{R([nC6n8A])}|CHEM1{[4aPEGMal]}$RNA1,CHEM1,2:R2-1:R1$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 14, + monomerDescription: + '14. Nucleoside of sugar R, base that have extra covalent bond and phosphate P - R([nC6n8A])P', + alias: 'nC6n8A', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: + 'RNA1{R([nC6n8A])P}|CHEM1{[4aPEGMal]}$RNA1,CHEM1,2:R2-1:R1$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 15, + monomerDescription: + '15. Nucleoside of sugar R, base that have extra hydrogen bond - R([nC6n8A])', + alias: 'nC6n8A', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: + 'RNA1{R([nC6n8A])}|CHEM1{[4aPEGMal]}$RNA1,CHEM1,2:pair-1:pair$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 16, + monomerDescription: + '16. Nucleoside of sugar R, base that have extra hydrogen bond and phosphate P - R([nC6n8A])P', + alias: 'nC6n8A', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: + 'RNA1{R([nC6n8A])P}|CHEM1{[4aPEGMal]}$RNA1,CHEM1,2:pair-1:pair$$$V2.0', + eligibleForAntisense: false, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, +]; + +for (const leftMonomer of shortMonomerList) { + for (const rightMonomer of shortMonomerList) { + test( + `1-${leftMonomer.id}-${rightMonomer.id}. Hydrogen side chain for: ${leftMonomer.monomerDescription} and ${rightMonomer.monomerDescription}`, + { tag: ['@IncorrectResultBecauseOfBug'] }, + async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check if hydrogen bonds connect monomers inside one chain, those + * hydrogen bonds should be considered as side chain connections for layout purposes + * Case: + * 1. Load two monomers on the canvas + * 2. Connect them with hydrogen bond + * 3. Switch to the flex/snake mode to refresh layout + * 4. Take screenshot to validate layout (connection should be considered as side chain) + * + * WARNING: Some test tesults are wrong because of bugs: + * https://github.com/epam/ketcher/issues/6194 + * https://github.com/epam/ketcher/issues/6195 + * Screenshots must be updated after fix and fixme should be removed + */ + test.setTimeout(30000); + + await loadMonomerOnCanvas(page, leftMonomer); + let leftMonomerAlias; + if (leftMonomer.type === 'Nucleoside') { + leftMonomerAlias = 'R'; + } else if (leftMonomer.type === 'Nucleotide') { + leftMonomerAlias = 'P'; + } else { + leftMonomerAlias = leftMonomer.alias; + } + const leftMonomerLocator = ( + await getMonomerLocator(page, { + monomerAlias: leftMonomerAlias, + }) + ).first(); + await loadMonomerOnCanvas(page, rightMonomer); + let rightMonomerAlias; + if (rightMonomer.type === 'Nucleoside') { + rightMonomerAlias = 'R'; + } else if (rightMonomer.type === 'Nucleotide') { + rightMonomerAlias = 'P'; + } else { + rightMonomerAlias = rightMonomer.alias; + } + const rightMonomerLocator = + (await ( + await getMonomerLocator(page, { + monomerAlias: rightMonomerAlias, + }) + ).count()) > 1 + ? ( + await getMonomerLocator(page, { + monomerAlias: rightMonomerAlias, + }) + ).nth(1) + : ( + await getMonomerLocator(page, { + monomerAlias: rightMonomerAlias, + }) + ).first(); + + await bondTwoMonomers( + page, + leftMonomerLocator, + rightMonomerLocator, + undefined, + undefined, + MacroBondTool.HYDROGEN, + ); + + await selectFlexLayoutModeTool(page); + await selectSnakeLayoutModeTool(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + }, + ); + } +} + +const eligibleForAntisenseMonomerList: IMonomer[] = [ + { + id: 1, + monomerDescription: 'Nucleoside base A - R(A)', + alias: 'A', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A)}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 2, + monomerDescription: + 'Nucleoside with ambiguous alternative RNA base W - R(A,U)', + // Alias is not W because of the a bug + alias: '%', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A,U)}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 3, + monomerDescription: 'Nucleoside with ambiguous mixed RNA base % - R(A+U)', + alias: '%', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A+U)}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 4, + monomerDescription: + 'Nucleoside with ambiguous alternative DNA base H - R(A,C,T)', + alias: 'H', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A,C,T)}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 5, + monomerDescription: 'Nucleoside with ambiguous mixed DNA base % - R(A+C+T)', + alias: '%', + type: 'Nucleoside', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A+C+T)}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 6, + monomerDescription: 'Nucleotide base A - R(A)P', + alias: 'A', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A)P}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 7, + monomerDescription: + 'Nucleotide with ambiguous alternative RNA base W - R(A,U)P', + // Alias is not W because of the a bug + alias: '%', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A,U)P}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 8, + monomerDescription: 'Nucleotide with ambiguous mixed RNA base % - R(A+U)P', + alias: '%', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A+U)P}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 9, + monomerDescription: + 'Nucleotide with ambiguous alternative DNA base H - R(A,C,T)P', + alias: 'H', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A,C,T)P}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, + { + id: 10, + monomerDescription: + 'Nucleotide with ambiguous mixed DNA base % - R(A+C+T)P', + alias: '%', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: 'RNA1{R(A+C+T)P}$$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, +]; + +for (const leftMonomer of eligibleForAntisenseMonomerList) { + for (const rightMonomer of eligibleForAntisenseMonomerList) { + test(`2-${leftMonomer.id}-${rightMonomer.id}. Creating sense/antisense connection for: ${leftMonomer.monomerDescription} and ${rightMonomer.monomerDescription}`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check if monomers who participate in those H-bonds should be oriented + * towards each other (one of the chains should be "flipped") + * Case: + * 1. Load two monomers (eligable for antisense) on the canvas + * 2. Bond its bases with hydrogen bond + * 3. Switch to the flex/snake mode to refresh layout + * 4. Take screenshot to validate layout (connection should be considered as side chain) + */ + test.setTimeout(20000); + + await loadMonomerOnCanvas(page, leftMonomer); + + const leftMonomerLocator = ( + await getMonomerLocator(page, { + monomerAlias: leftMonomer.alias, + }) + ).first(); + await loadMonomerOnCanvas(page, rightMonomer); + + const rightMonomerLocator = + (await ( + await getMonomerLocator(page, { + monomerAlias: rightMonomer.alias, + }) + ).count()) > 1 + ? ( + await getMonomerLocator(page, { + monomerAlias: rightMonomer.alias, + }) + ).nth(1) + : ( + await getMonomerLocator(page, { + monomerAlias: rightMonomer.alias, + }) + ).first(); + + await bondTwoMonomers( + page, + leftMonomerLocator, + rightMonomerLocator, + undefined, + undefined, + MacroBondTool.HYDROGEN, + ); + + await selectFlexLayoutModeTool(page); + await selectSnakeLayoutModeTool(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + }); + } +} + +test(`3. Check that shorter chain (fewer monomers) should get "flipped", and if they are of the same size, the chain whose center is lower on the canvas`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check that shorter chain (fewer monomers) should get "flipped", and if they are of the same size, the chain whose center is lower on the canvas + * Case: + * 1. Load short chain on the canvas + * 2. Load long chain on the canvas + * 3. Take screenshot to validate initial state + * 4. Connect to bases with hydrogen bond + * 5. Switch to Flex mode and back to Snake - chains got filipped + * 6. Take screenshot to validate flipping + */ + test.setTimeout(20000); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(A)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe]}$RNA1,PEPTIDE1,9:R2-1:R1$$$V2.0', + ); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(U)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}$RNA1,PEPTIDE1,9:R2-1:R1$$$V2.0', + ); + for (let i = 0; i < 5; i++) await ZoomInByKeyboard(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + + await bondTwoMonomers( + page, + await getMonomerLocator(page, { monomerAlias: 'A' }), + await getMonomerLocator(page, { monomerAlias: 'U' }), + undefined, + undefined, + MacroBondTool.HYDROGEN, + ); + + await selectFlexLayoutModeTool(page); + await selectSnakeLayoutModeTool(page); + + await moveMouseAway(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + + await resetZoomLevelToDefault(page); +}); + +test(`4. For R3-R1 sugar-base side connections (when the base does not have hydrogen bonds),' + + ' that base should be oriented like other bases in the chain (or if there is a tie, bellow the sugar)`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: For R3-R1 sugar-base side connections (when the base does not have hydrogen bonds), + * that base should be oriented like other bases in the chain (or if there is a tie, + * bellow the sugar) + * Case: + * 1. Load short chain on the canvas + * 2. Load long chain on the canvas + * 3. Take screenshot to validate initial state + * 4. Connect to bases with hydrogen bond + * 5. Switch to Flex mode and back to Snake - all bases from bottom chain got filipped + * 6. Take screenshot to validate flipping + */ + test.setTimeout(20000); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(A)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe]}$RNA1,PEPTIDE1,9:R2-1:R1$$$V2.0', + ); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(U)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}$RNA1,PEPTIDE1,9:R2-1:R1$$$V2.0', + ); + for (let i = 0; i < 5; i++) await ZoomInByKeyboard(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + + await bondTwoMonomers( + page, + await getMonomerLocator(page, { monomerAlias: 'A' }), + await getMonomerLocator(page, { monomerAlias: 'U' }), + undefined, + undefined, + MacroBondTool.HYDROGEN, + ); + + await selectFlexLayoutModeTool(page); + await selectSnakeLayoutModeTool(page); + + await moveMouseAway(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + + await resetZoomLevelToDefault(page); +}); + +async function callContextMenuForMonomer( + page: Page, + monomerLocatorIndex: number, +) { + const canvasLocator = page.getByTestId('ketcher-canvas'); + await canvasLocator + .locator('g.monomer') + .nth(monomerLocatorIndex) + .click({ button: 'right', force: true }); +} + +const longChain: IMonomer[] = [ + { + id: 1, + monomerDescription: '', + type: 'Nucleotide', + contentType: MacroFileType.HELM, + HELMString: + 'RNA1{R(U)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA2{R(U)P.R(G)P.R(C)P}|PEPTIDE2{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA3{R(U)P.R(G)P.R(C)P}|PEPTIDE3{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}' + + '$RNA1,PEPTIDE1,9:R2-1:R1|RNA2,PEPTIDE2,9:R2-1:R1|PEPTIDE1,RNA2,4:R2-1:R1|' + + 'RNA3,PEPTIDE3,9:R2-1:R1|PEPTIDE2,RNA3,4:R2-1:R1$$$V2.0', + eligibleForAntisense: true, + baseWithR3R1ConnectionPresent: true, + monomerLocatorIndex: 0, + }, +]; + +test(`5. Check that backbones should be placed parallel to each other`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check that backbones should be placed parallel to each other + * Case: + * 1. Load very long chain on the canvas + * 2. Create antisense chain + * 3. Take screenshot to validate parallel backbones + */ + test.setTimeout(20000); + + const chain = longChain[0]; + + if (chain.HELMString) { + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + chain.HELMString, + ); + } + + await selectAllStructuresOnCanvas(page); + await callContextMenuForMonomer(page, 0); + const createAntisenseStrandOption = page + .getByTestId('create_antisense_chain') + .first(); + await createAntisenseStrandOption.click(); + + await moveMouseAway(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); +}); + +test(`6. Check that chains should be placed in such a way that the left-most monomer' + + ' that has a hydrogen bond from the non-"flipped" chain has the monomer that is ' + + 'connected to it via a hydrogen bond from the other chain bellow it`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check that chains should be placed in such a way that the left-most monomer + * that has a hydrogen bond from the non-"flipped" chain has the monomer that is + * connected to it via a hydrogen bond from the other chain bellow it + * Case: + * 1. Load very long chain with short antisense connected on the canvas + * 2. Take screenshot to validate layout + */ + test.setTimeout(20000); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(U)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA2{R(U)P.R(G)P.R(C)P}|PEPTIDE2{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA3{R(U)P.R(G)P.R(C)P}|PEPTIDE3{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA4{R(G)P.R(G)P.R(G)P.R(G)P.R(G)P}$RNA1,PEPTIDE1,9:R2-1:R1|' + + 'RNA2,PEPTIDE2,9:R2-1:R1|PEPTIDE1,RNA2,4:R2-1:R1|RNA3,PEPTIDE3,9:R2-1:R1|' + + 'PEPTIDE2,RNA3,4:R2-1:R1|RNA3,RNA4,8:pair-2:pair$$$V2.0', + ); + + await takeEditorScreenshot(page, { hideMonomerPreview: true }); +}); + +test(`7. Check that distance between all monomers should be minimum one bond length`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check that distance between all monomers should be minimum one bond length + * Case: + * 1. Load very long chain with short antisense connected on the canvas + * 2. Take screenshot to validate distance between monomers + */ + test.setTimeout(20000); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(U)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA2{R(U)P.R(G)P.R(C)P}|PEPTIDE2{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA3{R(U)P.R(G)P.R(C)P}|PEPTIDE3{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA4{R(G)P.R(G)P.R(G)P.R(G)P.R(G)P}$RNA1,PEPTIDE1,9:R2-1:R1|' + + 'RNA2,PEPTIDE2,9:R2-1:R1|PEPTIDE1,RNA2,4:R2-1:R1|RNA3,PEPTIDE3,9:R2-1:R1|' + + 'PEPTIDE2,RNA3,4:R2-1:R1|RNA3,RNA4,8:pair-2:pair$$$V2.0', + ); + + await takeEditorScreenshot(page, { hideMonomerPreview: true }); +}); + +test(`8. Check that multiple backbones/chains can be placed in on a line if they are both connected via H-bonds to the same chain (but not to each other!!!)`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check that multiple backbones/chains can be placed in on a line if they + * are both connected via H-bonds to the same chain (but not to each other!!!) + * Case: + * 1. Load very long chain with short antisense connected on the canvas + * 2. Take screenshot to validate layout + */ + test.setTimeout(20000); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(U)P.R(G)P.R(C)P}|PEPTIDE1{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA2{R(U)P.R(G)P.R(C)P}|PEPTIDE2{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA3{R(U)P.R(G)P.R(C)P}|PEPTIDE3{[1Nal].[Cys_Bn].[AspOMe].[aMePhe]}|' + + 'RNA4{R(G)P.R(G)P.R(G)P}|RNA5{R(G)P.R(G)P}$RNA1,PEPTIDE1,9:R2-1:R1|' + + 'RNA2,PEPTIDE2,9:R2-1:R1|PEPTIDE1,RNA2,4:R2-1:R1|RNA3,PEPTIDE3,9:R2-1:R1|' + + 'PEPTIDE2,RNA3,4:R2-1:R1|RNA1,RNA4,5:pair-2:pair|RNA2,RNA5,5:pair-2:pair$$$V2.0', + ); + + await takeEditorScreenshot(page, { hideMonomerPreview: true }); +}); + +test( + `9. Check if there is a circular hydrogen bond connection between three or more chains, + those hydrogen bonds should be considered as side chain connection for layout purposes`, + { tag: ['@IncorrectResultBecauseOfBug'] }, + async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check if there is a circular hydrogen bond connection between three or more chains, + * those hydrogen bonds should be considered as side chain connection for layout purposes + * Case: + * 1. Load very long chain with short antisense connected on the canvas + * 2. Take screenshot to validate layout + * + * WARNING: Some test tesults are wrong because of bugs: + * https://github.com/epam/ketcher/issues/6201 + */ + test.setTimeout(20000); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(C)P.R(A)P.R(A)P}|' + + 'RNA2{R(G)P.R(T)P.R(U)P}|' + + 'RNA3{R(C)P.R(A)P.R(A)P}$' + + 'RNA1,RNA2,8:pair-8:pair|' + + 'RNA2,RNA3,2:pair-2:pair|' + + 'RNA3,RNA1,8:pair-2:pair$$$V2.0', + ); + + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + }, +); + +for (const leftMonomer of eligibleForAntisenseMonomerList) { + for (const rightMonomer of eligibleForAntisenseMonomerList) { + test(`10-${leftMonomer.id}-${rightMonomer.id}. Sequence mode: Creating sense/antisense connection for: ${leftMonomer.monomerDescription} and ${rightMonomer.monomerDescription}`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Sense and antisense chains should be treated as completely separate chains + * in sequence mode, without any hydrogen bonds connecting them + * Case: + * 1. Load two monomers (eligable for antisense) on the canvas + * 2. Bond its bases with hydrogen bond + * 3. Switch to the sequence mode + * 4. Take screenshot to validate that sense and antisense chains are treated as separate chains + */ + test.setTimeout(20000); + + await loadMonomerOnCanvas(page, leftMonomer); + + const leftMonomerLocator = ( + await getMonomerLocator(page, { + monomerAlias: leftMonomer.alias, + }) + ).first(); + await loadMonomerOnCanvas(page, rightMonomer); + + const rightMonomerLocator = + (await ( + await getMonomerLocator(page, { + monomerAlias: rightMonomer.alias, + }) + ).count()) > 1 + ? ( + await getMonomerLocator(page, { + monomerAlias: rightMonomer.alias, + }) + ).nth(1) + : ( + await getMonomerLocator(page, { + monomerAlias: rightMonomer.alias, + }) + ).first(); + + await bondTwoMonomers( + page, + leftMonomerLocator, + rightMonomerLocator, + undefined, + undefined, + MacroBondTool.HYDROGEN, + ); + + await selectSequenceLayoutModeTool(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + await selectSnakeLayoutModeTool(page); + }); + } +} + +for (const leftMonomer of shortMonomerList) { + for (const rightMonomer of shortMonomerList) { + test( + `11-${leftMonomer.id}-${rightMonomer.id}. Sequence mode: Hydrogen side chain for: ${leftMonomer.monomerDescription} and ${rightMonomer.monomerDescription}`, + { tag: ['@IncorrectResultBecauseOfBug'] }, + async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6184 + * Description: Check if hydrogen bonds connect monomers between chains (but not between bases), those + * hydrogen bonds should be considered as side chain connections and shown correct at sequence mode + * Case: + * 1. Load two monomers on the canvas + * 2. Connect them with hydrogen bond + * 3. Switch to the sequence mode + * 4. Take screenshot to validate layout (connection should be considered as side chain) + * + * WARNING: Some test tesults are wrong because of bug: https://github.com/epam/ketcher/issues/6204 + * Screenshots must be updated after fix and fixme should be removed + */ + test.setTimeout(20000); + + await loadMonomerOnCanvas(page, leftMonomer); + let leftMonomerAlias; + if (leftMonomer.type === 'Nucleoside') { + leftMonomerAlias = 'R'; + } else if (leftMonomer.type === 'Nucleotide') { + leftMonomerAlias = 'P'; + } else { + leftMonomerAlias = leftMonomer.alias; + } + const leftMonomerLocator = ( + await getMonomerLocator(page, { + monomerAlias: leftMonomerAlias, + }) + ).first(); + await loadMonomerOnCanvas(page, rightMonomer); + let rightMonomerAlias; + if (rightMonomer.type === 'Nucleoside') { + rightMonomerAlias = 'R'; + } else if (rightMonomer.type === 'Nucleotide') { + rightMonomerAlias = 'P'; + } else { + rightMonomerAlias = rightMonomer.alias; + } + const rightMonomerLocator = + (await ( + await getMonomerLocator(page, { + monomerAlias: rightMonomerAlias, + }) + ).count()) > 1 + ? ( + await getMonomerLocator(page, { + monomerAlias: rightMonomerAlias, + }) + ).nth(1) + : ( + await getMonomerLocator(page, { + monomerAlias: rightMonomerAlias, + }) + ).first(); + + await bondTwoMonomers( + page, + leftMonomerLocator, + rightMonomerLocator, + undefined, + undefined, + MacroBondTool.HYDROGEN, + ); + + await selectSequenceLayoutModeTool(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + await selectSnakeLayoutModeTool(page); + }, + ); + } +} diff --git a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chain-layout.spec.ts-snapshots/1-1-1-Hydrogen-side-chain-for-1-Peptide-A-from-library-and-1-Peptide-A-from-library-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chain-layout.spec.ts-snapshots/1-1-1-Hydrogen-side-chain-for-1-Peptide-A-from-library-and-1-Peptide-A-from-library-1-chromium-linux.png new file mode 100644 index 0000000000..d5cf1e2124 Binary files /dev/null and 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b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chain-layout.spec.ts-snapshots/9-Check-if-there-is-a-circular-hydrogen-bond--0215f--as-side-chain-connection-for-layout-purposes-1-chromium-linux.png new file mode 100644 index 0000000000..fab391ca1b Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chain-layout.spec.ts-snapshots/9-Check-if-there-is-a-circular-hydrogen-bond--0215f--as-side-chain-connection-for-layout-purposes-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts index ffceffa59d..30fbce1c64 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts @@ -31,12 +31,16 @@ import { pressRedoButton, pressUndoButton, } from '@utils/macromolecules/topToolBar'; -import { getMonomerLocatorByAlias } from '@utils/macromolecules/monomer'; +import { + getMonomerLocator, + getMonomerLocatorByAlias, +} from '@utils/macromolecules/monomer'; import { verifyFileExport, FileType, verifyHELMExport, } from '@utils/files/receiveFileComparisonData'; +import { bondTwoMonomers } from '@utils/macromolecules/polymerBond'; let page: Page; @@ -3023,7 +3027,8 @@ test(`17. Verify that copying the sense and antisense strand and pasting it with * 7. Paste clipboard content to the canvas * 8. Take screenshot to validate layout */ - test.setTimeout(20000); + test.setTimeout(30000); + await pageReload(page); const chain = chainOfNucleotidesAndPeptides[0]; @@ -3050,3 +3055,45 @@ test(`17. Verify that copying the sense and antisense strand and pasting it with await pasteFromClipboardByKeyboard(page); await takeEditorScreenshot(page, { hideMonomerPreview: true }); }); + +test(`18. Flipping checks`, async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6134 + * Description: 1. If the sense chain was oriented bases down, the antisense chain should be oriented bases up. + * 2. If the sense chain was oriented bases up, the antisense chain should be oriented bases down. + * 3. If the left most sugar/amino acid of the sense chain has a terminal indicator of 5'/N, then the left most sugar/amino acid of the antisense chain should have a terminal indicator of 3'/C. + * 4. If the left most sugar/amino acid of the sense chain has a terminal indicator of 3'/C, then the left most sugar/amino acid of the antisense chain should have a terminal indicator of 5'/N. + * 5. If the numbering of the sense chain increases from left to right, the numbering of the antisense chain should increase right to left. + * 6. If the numbering of the sense chain increases from right to left, the numbering of the antisense chain should increase left to right. + * Case: + * 1. Load chain/antisense pair (and standalone nucleotide) + * 2. Take screenshot to validate initial state (numbering, orientation, terminal indicator) + * 3. Connect to antisense chain extra nucleotide + * 4. Switch to Flex mode and back to Snake - chains got filipped + * 5. Take screenshot to validate new state (numbering, orientation, terminal indicator) + */ + test.setTimeout(20000); + + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{[dR](A,C,G,T)P.[dR](A,G,T)P.[dR](A,T)P}|RNA2{R(A,C,G,U)P.R(A,C,U)P.R(A,U)[Ssp]}|' + + 'RNA3{[RSpabC](A,U)P}$RNA1,RNA2,2:pair-2:pair|RNA1,RNA2,5:pair-5:pair|RNA1,RNA2,8:pair-8:pair$$$V2.0', + ); + for (let i = 0; i < 5; i++) await ZoomInByKeyboard(page); + + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + + await bondTwoMonomers( + page, + await getMonomerLocator(page, { monomerAlias: 'Ssp' }), + await getMonomerLocator(page, { monomerAlias: 'RSpabC' }), + ); + + await selectFlexLayoutModeTool(page); + await selectSnakeLayoutModeTool(page); + + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + + await resetZoomLevelToDefault(page); +}); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/17-Verify-that-copying-the-sense-and-antisens-32512-ct-orientation-and-complementary-base-pairing-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/17-Verify-that-copying-the-sense-and-antisens-32512-ct-orientation-and-complementary-base-pairing-1-chromium-linux.png index 5f6df7530f..2139ad2367 100644 Binary files a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/17-Verify-that-copying-the-sense-and-antisens-32512-ct-orientation-and-complementary-base-pairing-1-chromium-linux.png and b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/17-Verify-that-copying-the-sense-and-antisens-32512-ct-orientation-and-complementary-base-pairing-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/18-Flipping-checks-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/18-Flipping-checks-1-chromium-linux.png new file mode 100644 index 0000000000..3008cf1b5a Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/18-Flipping-checks-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/18-Flipping-checks-2-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/18-Flipping-checks-2-chromium-linux.png new file mode 100644 index 0000000000..c56323ff07 Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Antisense-Chains/antisense-chains.spec.ts-snapshots/18-Flipping-checks-2-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts index eb8fd16c4d..b7296d0246 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts @@ -332,6 +332,7 @@ test.describe('Saving in .svg files', () => { test(`Export to SVG: Verify it is possible to export Sequence-Peptide mode canvas with ${description} to SVG`, async () => { markResetToDefaultState('defaultLayout'); + await pageReload(page); await openFileAndAddToCanvasMacro(filename, page); await selectSequenceLayoutModeTool(page); await switchSequenceEnteringButtonType(page, SequenceType.PEPTIDE); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--46a83-nce-Peptide-mode-canvas-with-all-chems-to-SVG-2-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--46a83-nce-Peptide-mode-canvas-with-all-chems-to-SVG-2-chromium-linux.png index 4ca5f98a05..a15b39bfc8 100644 Binary files a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--46a83-nce-Peptide-mode-canvas-with-all-chems-to-SVG-2-chromium-linux.png and b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--46a83-nce-Peptide-mode-canvas-with-all-chems-to-SVG-2-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--7eb95-nce-Peptide-mode-canvas-with-all-chems-to-SVG-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--7eb95-nce-Peptide-mode-canvas-with-all-chems-to-SVG-1-chromium-linux.png index 7892403837..a7dd99ecb9 100644 Binary files a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--7eb95-nce-Peptide-mode-canvas-with-all-chems-to-SVG-1-chromium-linux.png and b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/saving-svg.spec.ts-snapshots/Saving-in-svg-files-Export-to-SVG-Verify-it--7eb95-nce-Peptide-mode-canvas-with-all-chems-to-SVG-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher.spec.ts index d746c1145a..e760d19d73 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher.spec.ts @@ -73,6 +73,8 @@ import { selectZoomInTool, selectZoomOutTool, selectZoomReset, + selectAromatizeTool, + selectDearomatizeTool, } from '@utils'; import { addSuperatomAttachmentPoint, @@ -1873,9 +1875,9 @@ test.describe('Macro-Micro-Switcher', () => { 'KET/one-attachment-point-added-in-micro-mode.ket', page, ); - await selectTopPanelButton(TopPanelButton.Aromatize, page); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Dearomatize, page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Modal-window/modal-window.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Modal-window/modal-window.spec.ts index 2b5ffe31d1..f1a96b8b4b 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Modal-window/modal-window.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Modal-window/modal-window.spec.ts @@ -54,6 +54,7 @@ test.describe('Modal window', () => { peptide2, undefined, undefined, + MacroBondTool.SINGLE, false, false, ); @@ -68,7 +69,16 @@ test.describe('Modal window', () => { */ // Create bonds between peptides - await bondTwoMonomers(page, peptide1, peptide2, 'R1', 'R2', true, false); + await bondTwoMonomers( + page, + peptide1, + peptide2, + 'R1', + 'R2', + MacroBondTool.SINGLE, + true, + false, + ); await takeEditorScreenshot(page); }); }); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts index 00f668079e..d39b7b69e8 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts @@ -17,6 +17,9 @@ import { selectUndoByKeyboard, selectZoomInTool, selectZoomOutTool, + MacroFileType, + pasteFromClipboardAndAddToMacromoleculesCanvas, + selectClearCanvasTool, } from '@utils'; import { enterSequence, @@ -671,4 +674,89 @@ test.describe('Sequence Mode', () => { await takeEditorScreenshot(page); }); } + + test('1. Check that in sequence mode not modifid amino acids are not marked', async ({ + page, + }) => { + /* + Test task: https://github.com/epam/ketcher/issues/5629 + Description: Check that in sequence mode not modifid amino acids are not marked + Case: + 1. Switch to sequence mode + 2. Open HELM with all not modified amino acids + 3. Take a screenshot to verify that not modified amino acids are not marked + */ + await selectSequenceLayoutModeTool(page); + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'PEPTIDE1{A.C.D.[D*].E.F.G}|PEPTIDE2{H.K.L.M.N.O.P}|PEPTIDE3{Q.R.S.T.U.V.W}|' + + 'PEPTIDE4{Y.(A,C,D,E,F,G,H,I,K,L,M,N,O,P,Q,R,S,T,U,V,W,Y).(D,N).(L,I).(E,Q)}$$$$V2.0', + ); + await takeEditorScreenshot(page); + }); + + const modifiedAminoAcids: string[] = [ + 'PEPTIDE1{[bAla].[Cha].[Cya].[D-1Nal].[D-2Nal].[D-2Pal].[D-2Thi].[D-3Pal].[D-Abu].[D-Cha].[meA].' + + '[NMebAl].[Thi].[Tza].[dA].[1Nal].[2Nal].[3Pal].[4Pal].[Abu].[Cys_Bn].[Cys_Me].[Dha].[dC].[Edc].' + + '[Hcy].[meC].[AspOMe].[dD].[meD].[dE].[gGlu].[Gla].[meE].[aMePhe].[Bip].[Bpa].[dF].[DPhe4C].' + + '[DPhe4F].[DPhe4u].[hPhe].[meF].[Phe_2F].[Phe_3F].[Phe_4F].[Phe_4I].[Chg].[D-Chg].[D-Phg].' + + '[D-Pyr].[PheNO2].[Phebbd].[PheaDH].[Phe4SD].[Phe4NO].[Phe4NH].[Phe4Me].[Phe4Cl].[Phe4Br].' + + '[Phe3Cl].[Phe34d].[Phe2Me].[meQ].[dQ].[xiHyp].[Thz].[DAGlyO].[D-Nle].[Ar5c].[Orn].[meK].' + + '[LysMe3].[LysiPr].[LysBoc].[Nle].[meL].[Hyp].[Mhp].[Cit].[D-Cit].[D-hArg].[DhArgE].[dR].' + + '[Har].[hArg].[LhArgE].[meR].[D-Dap].[Dap].[dS].[DSerBn].[DSertB].[Hse].[meS].[Ser_Bn].[SerPO3]' + + '.[SertBu].[aThr].[D-aThr].[dT].[D-Pen].[DaMeAb].[dV].[Iva].[Val3OH].[DTrp2M].[DTrpFo].[dW].' + + '[Kyn].[meW].[Trp_Me].[Trp5OH].[TrpOme].[2Abz].[3Abz].[4Abz].[Abu23D].[Bmt].[Azi].[Asu].[App].' + + '[Apm].[Aoda].[Cap].[Ac3c].[Ac6c].[Aca].[Aib].[D-Bmt].[D-Dab].[D-Dip].[D-Pip].[D-Tic].[Dab].[meV].' + + '[Nva].[Pen].[dL].[ThrPO3].[xiThr].[dU].[meU].[D-Nva].[meT].[Dip].[Dsu].[dN].[meN].[dO].[meO].' + + '[aHyp].[aMePro].[Aze].[D-aHyp].[D-Hyp].[D-Thz].[dP].[Pyr].[dH].[DHis1B].[Hhs].[His1Bn].[His1Me].' + + '[His3Me].[meH].[aIle].[D-aIle].[dI].[DxiIle].[meI].[xiIle].[Aad].[D-Orn].[DALys].[dK].[Dpm].' + + '[Hyl5xi].[Lys_Ac].[tLeu].[dM].[DMetSO].[meM].[Met_O].[Met_O2].[Phg].[meG].[GlycPr].[Phg].[meG].' + + '[GlycPr].[Glyall].[TyrtBu].[TyrSO3].[TyrPO3].[TyrPh4].[TyrabD].[Tyr3OH].[Tyr3NO].[Tyr35d].' + + '[Tyr26d].[Tyr_Me].[Tyr_Bn].[Tyr_3I].[nTyr].[meY].[dY].[DTyrMe].[DTyrEt].[NMe2Ab].[NMe4Ab].[Pqa].' + + '[pnT].[pnG].[pnC].[pnA].[Pip].[Oic].[Oic3aR].[Oic3aS].[Sta].[Sta3xi].[Tic].[Wil].[aMeTy3].' + + '[aMeTyr].[D-nTyr].[D-gGlu].[D-hPhe].[Bux]}$$$$V2.0', + + 'PEPTIDE1{[DACys].[Ala-al]}|PEPTIDE2{[DAlaol].[Ala-ol]}|PEPTIDE3{[D-OAla].[Gly-al]}|PEPTIDE4{[L-OAla].' + + '[Phg-ol]}|PEPTIDE5{[DAhPhe].[-NHBn]}|PEPTIDE6{[DAPhg3].[Phe-al]}|PEPTIDE7{[DAGlyB].[-NHEt]}$$$$V2.0', + + 'PEPTIDE1{[PhLA].[Phe-ol]}|PEPTIDE2{[DAGlyC].[Lys-ol]}|PEPTIDE3{[DAGlyP].[Arg-al]}|PEPTIDE4{[DAGlyT].' + + '[DPhgol]}|PEPTIDE5{[DAPhg4].[Pro-ol]}|PEPTIDE6{[DALeu].[Leu-ol]}|PEPTIDE7{[OLeu].[-OtBu]}$$$$V2.0', + + 'PEPTIDE1{[meP].[Pro-al]}|PEPTIDE2{[D-OVal].[dThrol]}|PEPTIDE3{[L-OVal].[-Et]}|PEPTIDE4{[Ac-].[-Bn]}|' + + 'PEPTIDE5{[Bua-].[-OEt]}|PEPTIDE6{[Cbz-].[-Ph]}|PEPTIDE7{[Bn-].[Am-]}$$$$V2.0', + + 'PEPTIDE1{[DANcy].[Leu-al]}|PEPTIDE2{[fmoc-].[Thr-ol]}|PEPTIDE3{[DADip].[Val-ol]}|PEPTIDE4{[Glc].[-Me]}|' + + 'PEPTIDE5{[Boc-].[Aib-ol]}|PEPTIDE6{[Bz-]}|PEPTIDE7{[DAChg].[DADab]}$$$$V2.0', + + 'PEPTIDE1{[NHBn-].[Gly-ol]}|PEPTIDE2{[MsO-].[Lys-al]}|PEPTIDE3{[Mpa].[Asp-al]}|PEPTIDE4{[Et-].[DProol]}|' + + 'PEPTIDE5{[Me-].[Hsl]}|PEPTIDE6{[Hva]}|PEPTIDE7{[Mba]}$$$$V2.0', + + 'PEPTIDE1{[OMe-].[-NMe]}|PEPTIDE2{[NMe24A].[-OBn]}|PEPTIDE3{[NMe23A].[DTyr3O]}|PEPTIDE4{[OBn-].[Oxa]}|' + + 'PEPTIDE5{[DAnTyr].[Pyrro]}|PEPTIDE6{[Tos-].[-OMe]}$$$$V2.0', + ]; + + test('2. Check that in sequence mode all modifid amino acids are marked', async ({ + page, + }) => { + /* + Test task: https://github.com/epam/ketcher/issues/5629 + Description: Check that in sequence mode all modifid amino acids are marked + Case: + 1. Open HELM with all not modified amino acids + 2. Switch to sequence mode + 3. Take a screenshot to verify that all modified amino acids are marked + */ + await selectSequenceLayoutModeTool(page); + + for (const modifiedAminoAcid of modifiedAminoAcids) { + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + modifiedAminoAcid, + ); + await takeEditorScreenshot(page); + await selectClearCanvasTool(page); + } + }); }); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts-snapshots/Sequence-Mode-1-Check-that-in-sequence-mode-not-modifid-amino-acids-are-not-marked-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts-snapshots/Sequence-Mode-1-Check-that-in-sequence-mode-not-modifid-amino-acids-are-not-marked-1-chromium-linux.png new file mode 100644 index 0000000000..6c4ff1f8cd Binary files /dev/null and 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b/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts-snapshots/Sequence-Mode-2-Check-that-in-sequence-mode-all-modifid-amino-acids-are-marked-7-chromium-linux.png new file mode 100644 index 0000000000..1a0c4fecc0 Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode.spec.ts-snapshots/Sequence-Mode-2-Check-that-in-sequence-mode-all-modifid-amino-acids-are-marked-7-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-bond-tool.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-bond-tool.spec.ts index e30ef25a91..c95d4187c1 100755 --- a/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-bond-tool.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-bond-tool.spec.ts @@ -157,7 +157,7 @@ test.describe('Snake Bond Tool', () => { await bondTwoMonomers(page, peptide2, peptide3); await bondTwoMonomers(page, peptide3, peptide4); - await takeEditorScreenshot(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); }); test('Check snake mode arrange for peptides chain', async () => { @@ -180,7 +180,7 @@ test.describe('Snake Bond Tool', () => { await selectSnakeLayoutModeTool(page); await moveMouseAway(page); - await takeEditorScreenshot(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); }); test('Check finding right chain sequence using snake mode', async () => { @@ -192,7 +192,7 @@ test.describe('Snake Bond Tool', () => { await createBondedMonomers(page); await takeEditorScreenshot(page); await selectSnakeLayoutModeTool(page); - await takeEditorScreenshot(page); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); }); test('Mode returns back/forth after undo/redo', async () => { diff --git a/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts new file mode 100644 index 0000000000..1042dd3dcd --- /dev/null +++ b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts @@ -0,0 +1,209 @@ +import { turnOnMacromoleculesEditor } from '@utils/macromolecules'; +import { Page, test } from '@playwright/test'; +import { + takeEditorScreenshot, + selectClearCanvasTool, + waitForPageInit, + MacroFileType, + pasteFromClipboardAndAddToMacromoleculesCanvas, + selectSnakeLayoutModeTool, +} from '@utils'; + +let page: Page; + +test.beforeAll(async ({ browser }) => { + const context = await browser.newContext(); + page = await context.newPage(); + + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + await selectSnakeLayoutModeTool(page); +}); + +test.afterEach(async () => { + await selectClearCanvasTool(page); +}); + +test.afterAll(async ({ browser }) => { + await Promise.all(browser.contexts().map((context) => context.close())); +}); + +test( + '1. Check that every not modified amino acid, sugar, base and phosphate on canvas (flex and snake modes) are not marked as modified', + { tag: ['@IncorrectResultBecauseOfBug'] }, + async () => { + /* + * Test task: https://github.com/epam/ketcher/issues/6206 + * Description: Check that every not modified amino acid, sugar, base and phosphate on canvas (flex and snake modes) are not marked as modified + * Case: + * 1. Open HELM with all not modified monomers at snake mode + * 2. Take a screenshot to verify that not modified monomers are not marked + * IMPORTANT: Result of execution is incorrect because of https://github.com/epam/ketcher/issues/6053 issue. + * Screenshot should be updated after fix. + */ + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + 'RNA1{R(A)P.R(C)P.R(G)P.R(T)P.R(U)P}|PEPTIDE1{A.C.D.[D*].E.F.G}|PEPTIDE2{H.K.L.M.N.O.P}|' + + 'PEPTIDE3{Q.R.S.T.U.V.W}|PEPTIDE4{Y.(A,C,D,E,F,G,H,I,K,L,M,N,O,P,Q,R,S,T,U,V,W,Y).(D,N).(L,I).(E,Q)}$$$$V2.0', + ); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + }, +); + +const modifiedMonomers: string[] = [ + 'RNA1{[12ddR][bnn].[25d3r]([4ime6A])[bP].[25mo3r]([az8A])[cm].[25moe3]([baA])[cmp].[25R]([br8A])[co].' + + '[3A6]([c3A])[en].[3FAM][eop].[3SS6][fl2me].[4sR]([c7io7A])[gly].[5A6]([c7io7n])[hn].[ana]([meA])[Ssp].' + + '[am6][sP-].[Am2d]([m2A])[sP].[am12][Smp].[ALtri2]([io2A])[s2p].[ALtri1]([imprn2])[Rsp].' + + '[ALmecl]([impr6n])[Rmp].[allyl2]([fl2A])[prn].[aFR]([eaA])[P-].[afl2Nm]([e6A])[oxy].' + + '[afhna]([dabA])[nen].[Ae2d]([daA])[msp].[acn4d]([cyp6A])[mp].[5S6Sm5]([cyh6A])[moen].' + + '[5S6Rm5]([cpmA])[mn].[5R6Sm5]([clA])[mepo2].[5R6Rm5]([cl8A])[me].[5formD]([cl2cyp])[m2np]}' + + '|RNA2{[5FAM]}$RNA2,RNA1,1:R2-1:R1$$$V2.0', + + 'RNA1{[aoe2r]([mo2A])}|RNA2{[aR]([moprn2])}|RNA3{[bcdna]([ms2A])}|RNA4{[Bcm2r]([n2A])}|' + + 'RNA5{[Bcm3d]([n8A])}|RNA6{[Bcm3r]([nC6n8A])}|RNA7{[Bcoh4d]([nen2A])}|RNA8{[bn2r]([o8A])}|' + + 'RNA9{[bnanc]([phen2A])}|RNA10{[bnancm]([z8A])}|RNA11{[bnoe2r]([5meC])}|RNA12{[bu2r]([ac4C])}|' + + 'RNA13{[c4d]([br5C])}|RNA14{[c4m]([cdaC])}|RNA15{[C52r]([cl5C])}|RNA16{[C92r]([cpC])}|' + + 'RNA17{[cena]([ethy5C])}|RNA18{[cet]([fl3mC])}|RNA19{[ciPr]([fl5C])}|RNA20{[clhna]([form5C])}|' + + 'RNA21{[d5m]([gclamp])}|RNA22{[d5moe]([ggclam])}|RNA23{[dhp]([hm5C])}|RNA24{[Dlyspn]([m4C])}|' + + 'RNA25{[dmac]([nC65C])}|RNA26{[dmaeac]([nC6n5C])}|RNA27{[dmaeoe]([npry5C])}|RNA28{[dmaoe]([oC64m5])}|' + + 'RNA29{[dR]([oh4C])}|RNA30{[e2noe2]([oh5C])}|RNA31{[e2r]([prpC])}|RNA32{[eom2r]([s2C])}|' + + 'RNA33{[eR]([tCnitr])}|RNA34{[fcena]([tCo])}|RNA35{[fhna]([thiz5C])}|RNA36{[fl2Nmc]([z5C])}|' + + 'RNA37{[fl3e2r]([4imen2])}|RNA38{[fl3pr2]([allyl9])}|RNA39{[fl5pr2]([br8G])}|RNA40{[fle2r]([c3ally])}|' + + 'RNA41{[fleana]([c3G])}|RNA42{[FMOE]([c7G])}|RNA43{[fR]([c7io7G])}|RNA44{[GalNAc]([cl6G])}|' + + 'RNA45{[guane2]([impr2G])}|RNA46{[hx]([isoG])}|RNA47{[imbu2r]([m1G])}|RNA48{[ime2r]([m22G])}|' + + 'RNA49{[ipr2r]([m2G])}|RNA50{[iprmno]([m6G])}|RNA51{[Ld]([m7G])}|RNA52{[Liprgl]([m7h8G])}|' + + 'RNA53{[lLR]([ms6G])}|RNA54{[Llyspn]([n8G])}|RNA55{[LR]([nC6n2G])}|RNA56{[Diprgl]([m3C])}$' + + 'RNA1,RNA2,1:R2-1:R1|RNA2,RNA3,1:R2-1:R1|RNA3,RNA4,1:R2-1:R1|RNA4,RNA5,1:R2-1:R1|' + + 'RNA5,RNA6,1:R2-1:R1|RNA6,RNA7,1:R2-1:R1|RNA7,RNA8,1:R2-1:R1|RNA8,RNA9,1:R2-1:R1|' + + 'RNA9,RNA10,1:R2-1:R1|RNA10,RNA11,1:R2-1:R1|RNA11,RNA12,1:R2-1:R1|RNA12,RNA13,1:R2-1:R1|' + + 'RNA13,RNA14,1:R2-1:R1|RNA14,RNA15,1:R2-1:R1|RNA15,RNA16,1:R2-1:R1|RNA16,RNA17,1:R2-1:R1|' + + 'RNA17,RNA18,1:R2-1:R1|RNA18,RNA19,1:R2-1:R1|RNA19,RNA20,1:R2-1:R1|RNA20,RNA21,1:R2-1:R1|' + + 'RNA21,RNA22,1:R2-1:R1|RNA22,RNA23,1:R2-1:R1|RNA23,RNA56,1:R2-1:R1|RNA56,RNA24,1:R2-1:R1|' + + 'RNA24,RNA25,1:R2-1:R1|RNA25,RNA26,1:R2-1:R1|RNA26,RNA27,1:R2-1:R1|RNA27,RNA28,1:R2-1:R1|' + + 'RNA28,RNA29,1:R2-1:R1|RNA29,RNA30,1:R2-1:R1|RNA30,RNA31,1:R2-1:R1|RNA31,RNA32,1:R2-1:R1|' + + 'RNA32,RNA33,1:R2-1:R1|RNA33,RNA34,1:R2-1:R1|RNA34,RNA35,1:R2-1:R1|RNA35,RNA36,1:R2-1:R1|' + + 'RNA36,RNA37,1:R2-1:R1|RNA37,RNA38,1:R2-1:R1|RNA38,RNA39,1:R2-1:R1|RNA39,RNA40,1:R2-1:R1|' + + 'RNA40,RNA41,1:R2-1:R1|RNA41,RNA42,1:R2-1:R1|RNA42,RNA43,1:R2-1:R1|RNA43,RNA44,1:R2-1:R1|' + + 'RNA44,RNA45,1:R2-1:R1|RNA45,RNA46,1:R2-1:R1|RNA46,RNA47,1:R2-1:R1|RNA47,RNA48,1:R2-1:R1|' + + 'RNA48,RNA49,1:R2-1:R1|RNA49,RNA50,1:R2-1:R1|RNA50,RNA51,1:R2-1:R1|RNA51,RNA52,1:R2-1:R1|' + + 'RNA52,RNA53,1:R2-1:R1|RNA53,RNA54,1:R2-1:R1|RNA54,RNA55,1:R2-1:R1$$$V2.0', + + 'RNA1{[LR]([nC6n2G])}|RNA2{[m2e2r]([nen2G])}|RNA3{[m2nc2r]([npr2G])}|RNA4{[m2nenc]([o8G])}|' + + 'RNA5{[m2npr2]([o8s9G])}|RNA6{[m3ALln]([s6G])}|RNA7{[m3ana]([s8G])}|RNA8{[m5d]([z7G])}|' + + 'RNA9{[m5m]([z8c3G])}|RNA10{[me3d]([cnes4T])}|RNA11{[me3fl2]([cneT])}|RNA12{[me3m]([h56T])}|' + + 'RNA13{[me3r]([mo4bn3])}|RNA14{[meclna]([npomT])}|RNA15{[menoe2]([s2T])}|RNA16{[mn2lna]([s4T])}|' + + 'RNA17{[mnc2r]([z5T])}|RNA18{[mne2r]([5eU])}|RNA19{[mnobna]([5fU])}|RNA20{[MOE]([5iU])}|' + + 'RNA21{[moe3an]([5tpU])}|RNA22{[moeon2]([allyl5])}|RNA23{[mon2ln]([br5U])}|' + + 'RNA24{[mopr2d]([brviny])}|RNA25{[mph]([cl5U])}|RNA26{[mR]([CN5U])}|RNA27{[ms2r]([cpU])}|' + + 'RNA28{[mse2r]([d4U])}|RNA29{[mseac]([DBCOnC])}|RNA30{[msoe2r]([e5U])}|RNA31{[n2r]([form5U])}|' + + 'RNA32{[n3co4d]([h456U])}|RNA33{[n3d]([h456UR])}|RNA34{[n3fl2r]([hU])}|RNA35{[n3m]([ipr5U])}|' + + 'RNA36{[n5d]([m1Yra])}|RNA37{[n5fl2r]([m3U])}|RNA38{[n5m]([m6T])}|RNA39{[n5r]([m6U])}|' + + 'RNA40{[nac2r]([mnm5U])}|RNA41{[nbu2r]([mo5U])}|RNA42{[nC52r]([nC65U])}|RNA43{[nC62r]([nC6n5U])}|' + + 'RNA44{[ne2r]([npr5U])}|RNA45{[nma]([oh5U])}|RNA46{[Nmc]([ohm5U])}|RNA47{[npr2r]([Oro])}|' + + 'RNA48{[oC11o]}|RNA49{[oC12o]}|RNA50{[oC3o]}|RNA51{[oC4o]}|RNA52{[oC5o]}|RNA53{[oC6o]}|' + + 'RNA54{[oC7o]}|RNA55{[ox23ar]([thiz5U])}|RNA56{[ph2r]([vinyl5])}$RNA2,RNA3,1:R2-1:R1|' + + 'RNA3,RNA4,1:R2-1:R1|RNA4,RNA5,1:R2-1:R1|RNA5,RNA6,1:R2-1:R1|RNA6,RNA7,1:R2-1:R1|' + + 'RNA7,RNA8,1:R2-1:R1|RNA8,RNA9,1:R2-1:R1|RNA9,RNA10,1:R2-1:R1|RNA10,RNA11,1:R2-1:R1|' + + 'RNA11,RNA12,1:R2-1:R1|RNA12,RNA13,1:R2-1:R1|RNA13,RNA14,1:R2-1:R1|RNA14,RNA15,1:R2-1:R1|' + + 'RNA15,RNA16,1:R2-1:R1|RNA16,RNA17,1:R2-1:R1|RNA17,RNA18,1:R2-1:R1|RNA18,RNA19,1:R2-1:R1|' + + 'RNA19,RNA20,1:R2-1:R1|RNA20,RNA21,1:R2-1:R1|RNA21,RNA22,1:R2-1:R1|RNA22,RNA23,1:R2-1:R1|' + + 'RNA23,RNA24,1:R2-1:R1|RNA24,RNA25,1:R2-1:R1|RNA25,RNA26,1:R2-1:R1|RNA26,RNA27,1:R2-1:R1|' + + 'RNA27,RNA28,1:R2-1:R1|RNA28,RNA29,1:R2-1:R1|RNA29,RNA30,1:R2-1:R1|RNA30,RNA31,1:R2-1:R1|' + + 'RNA31,RNA32,1:R2-1:R1|RNA32,RNA33,1:R2-1:R1|RNA33,RNA34,1:R2-1:R1|RNA34,RNA35,1:R2-1:R1|' + + 'RNA35,RNA36,1:R2-1:R1|RNA36,RNA37,1:R2-1:R1|RNA37,RNA38,1:R2-1:R1|RNA38,RNA39,1:R2-1:R1|' + + 'RNA39,RNA40,1:R2-1:R1|RNA40,RNA41,1:R2-1:R1|RNA41,RNA42,1:R2-1:R1|RNA42,RNA43,1:R2-1:R1|' + + 'RNA43,RNA44,1:R2-1:R1|RNA44,RNA45,1:R2-1:R1|RNA45,RNA46,1:R2-1:R1|RNA46,RNA47,1:R2-1:R1|' + + 'RNA47,RNA48,1:R2-1:R1|RNA48,RNA49,1:R2-1:R1|RNA49,RNA50,1:R2-1:R1|RNA50,RNA51,1:R2-1:R1|' + + 'RNA51,RNA52,1:R2-1:R1|RNA52,RNA53,1:R2-1:R1|RNA53,RNA54,1:R2-1:R1|RNA54,RNA55,1:R2-1:R1|' + + 'RNA55,RNA56,1:R2-1:R1|RNA1,RNA2,1:R2-1:R1$$$V2.0', + + 'RNA1{[phoe2r]([z6pry5])}|RNA2{[phs2r]([z6U])}|RNA3{[pna]([tfU])}|RNA4{[PONA]([thien5])}|' + + 'RNA5{[pr2r]([pr56U])}|RNA6{[prparg]([prpU])}|RNA7{[pyren1]([psiU])}|RNA8{[qR]([s2U])}|' + + 'RNA9{[Rcet]([s4U])}|RNA10{[Rcmoe]([io5C])}|RNA11{[Rflcln]([c7py7A])}|RNA12{[RGNA]([2imen2])}|' + + 'RNA13{[Rhe5d]([m2nprn])}|RNA14{[Rm5ALl]([c7py7N])}|RNA15{[Rm5d]([c7A])}|RNA16{[Rm5fl2]([m1A])}|' + + 'RNA17{[Rm5lna]([c7cn7A])}|RNA18{[Rm5moe]([cl2A])}|RNA19{[Rmclna]}|RNA20{[Rmn2ce]}|RNA21{[Rs2cEt]}|' + + 'RNA22{[Rso2ln]}|RNA23{[Rso2ln]}|RNA24{[RSpabC]}|RNA25{[s2lna]}|RNA26{[s3d]}|RNA27{[s4d]}|' + + 'RNA28{[s4m]}|RNA29{[s4moe]}|RNA30{[s5d]}|RNA31{[Scmoe]}|RNA32{[ScPr]}|RNA33{[se2r]}|' + + 'RNA34{[SGNA]}|RNA35{[She5d]}|RNA36{[Sm2moe]}|RNA37{[Sm5ALl]}|RNA38{[Sm5d]}|RNA39{[Sm5fl2]}|' + + 'RNA40{[Sm5lna]}|RNA41{[Sm5moe]}|RNA42{[Sm6ALl]}|RNA43{[Sm6fhn]}|RNA44{[Smc]}|RNA45{[Smclna]}|' + + 'RNA46{[Smn2ce]}|RNA47{[Sp18]}|RNA48{[SRpabC]}|RNA49{[Ss2cEt]}|RNA50{[Svinyl]}|RNA51{[tcdna]}|' + + 'RNA52{[tR]}|RNA53{[trimoe]}|RNA54{[trina1]}|RNA55{[trina2]}|RNA56{[UNA]}$RNA2,RNA3,1:R2-1:R1|' + + 'RNA3,RNA4,1:R2-1:R1|RNA4,RNA5,1:R2-1:R1|RNA5,RNA6,1:R2-1:R1|RNA6,RNA7,1:R2-1:R1|' + + 'RNA7,RNA8,1:R2-1:R1|RNA8,RNA9,1:R2-1:R1|RNA9,RNA10,1:R2-1:R1|RNA10,RNA11,1:R2-1:R1|' + + 'RNA11,RNA12,1:R2-1:R1|RNA12,RNA13,1:R2-1:R1|RNA13,RNA14,1:R2-1:R1|RNA14,RNA15,1:R2-1:R1|' + + 'RNA15,RNA16,1:R2-1:R1|RNA16,RNA17,1:R2-1:R1|RNA17,RNA18,1:R2-1:R1|RNA18,RNA19,1:R2-1:R1|' + + 'RNA19,RNA20,1:R2-1:R1|RNA20,RNA21,1:R2-1:R1|RNA21,RNA22,1:R2-1:R1|RNA22,RNA23,1:R2-1:R1|' + + 'RNA23,RNA24,1:R2-1:R1|RNA24,RNA25,1:R2-1:R1|RNA25,RNA26,1:R2-1:R1|RNA26,RNA27,1:R2-1:R1|' + + 'RNA27,RNA28,1:R2-1:R1|RNA28,RNA29,1:R2-1:R1|RNA29,RNA30,1:R2-1:R1|RNA30,RNA31,1:R2-1:R1|' + + 'RNA31,RNA32,1:R2-1:R1|RNA32,RNA33,1:R2-1:R1|RNA33,RNA34,1:R2-1:R1|RNA34,RNA35,1:R2-1:R1|' + + 'RNA35,RNA36,1:R2-1:R1|RNA36,RNA37,1:R2-1:R1|RNA37,RNA38,1:R2-1:R1|RNA38,RNA39,1:R2-1:R1|' + + 'RNA39,RNA40,1:R2-1:R1|RNA40,RNA41,1:R2-1:R1|RNA41,RNA42,1:R2-1:R1|RNA42,RNA43,1:R2-1:R1|' + + 'RNA43,RNA44,1:R2-1:R1|RNA44,RNA45,1:R2-1:R1|RNA45,RNA46,1:R2-1:R1|RNA46,RNA47,1:R2-1:R1|' + + 'RNA47,RNA48,1:R2-1:R1|RNA48,RNA49,1:R2-1:R1|RNA49,RNA50,1:R2-1:R1|RNA50,RNA51,1:R2-1:R1|' + + 'RNA51,RNA52,1:R2-1:R1|RNA52,RNA53,1:R2-1:R1|RNA53,RNA54,1:R2-1:R1|RNA54,RNA55,1:R2-1:R1|' + + 'RNA55,RNA56,1:R2-1:R1|RNA1,RNA2,1:R2-1:R1$$$V2.0', + + 'CHEM1{([4aPEGMal],[4FB],[MCC],[sDBL])}|PEPTIDE1{(A,C,D,E)}|RNA1{([25mo3r],[25R])(A,C,G,T,U)' + + '([gly],[hn])}|RNA2{[5cGT][ibun]}|RNA3{[dier]}|RNA4{[5FBC6][m2nen]}$PEPTIDE1,CHEM1,1:R2-1:R1|' + + 'PEPTIDE1,RNA1,1:R1-3:R2$$$V2.0', + + 'PEPTIDE1{[bAla].[Cha].[Cya].[D-1Nal].[D-2Nal].[D-2Pal].[D-2Thi].[D-3Pal].[D-Abu].[D-Cha].[meA].' + + '[NMebAl].[Thi].[Tza].[dA].[1Nal].[2Nal].[3Pal].[4Pal].[Abu].[Cys_Bn].[Cys_Me].[Dha].[dC].[Edc].' + + '[Hcy].[meC].[AspOMe].[dD].[meD].[dE].[gGlu].[Gla].[meE].[aMePhe].[Bip].[Bpa].[dF].[DPhe4C].' + + '[DPhe4F].[DPhe4u].[hPhe].[meF].[Phe_2F].[Phe_3F].[Phe_4F].[Phe_4I].[Chg].[D-Chg].[D-Phg].' + + '[D-Pyr].[PheNO2].[Phebbd].[PheaDH].[Phe4SD].[Phe4NO].[Phe4NH].[Phe4Me].[Phe4Cl].[Phe4Br].' + + '[Phe3Cl].[Phe34d].[Phe2Me].[meQ].[dQ].[xiHyp].[Thz].[DAGlyO].[D-Nle].[Ar5c].[Orn].[meK].' + + '[LysMe3].[LysiPr].[LysBoc].[Nle].[meL].[Hyp].[Mhp].[Cit].[D-Cit].[D-hArg].[DhArgE].[dR].' + + '[Har].[hArg].[LhArgE].[meR].[D-Dap].[Dap].[dS].[DSerBn].[DSertB].[Hse].[meS].[Ser_Bn].[SerPO3].' + + '[SertBu].[aThr].[D-aThr].[dT].[D-Pen].[DaMeAb].[dV].[Iva].[Val3OH].[DTrp2M].[DTrpFo].[dW].' + + '[Kyn].[meW].[Trp_Me].[Trp5OH].[TrpOme].[2Abz].[3Abz].[4Abz].[Abu23D].[Bmt].[Azi].[Asu].[App].' + + '[Apm].[Aoda].[Cap].[Ac3c].[Ac6c].[Aca].[Aib].[D-Bmt].[D-Dab].[D-Dip].[D-Pip].[D-Tic].[Dab].' + + '[meV].[Nva].[Pen].[dL].[ThrPO3].[xiThr].[dU].[meU].[D-Nva].[meT].[Dip].[Dsu].[dN].[meN].[dO].' + + '[meO].[aHyp].[aMePro].[Aze]}$$$$V2.0', + + 'PEPTIDE1{[D-aHyp].[D-Hyp].[D-Thz].[dP].[Pyr].[dH].[DHis1B].[Hhs].[His1Bn].[His1Me].[His3Me].' + + '[meH].[aIle].[D-aIle].[dI].[DxiIle].[meI].[xiIle].[Aad].[D-Orn].[DALys].[dK].[Dpm].[Hyl5xi].' + + '[Lys_Ac].[tLeu].[dM].[DMetSO].[meM].[Met_O].[Met_O2].[Phg].[meG].[GlycPr].[Phg].[meG].[GlycPr].' + + '[Glyall].[TyrtBu].[TyrSO3].[TyrPO3].[TyrPh4].[TyrabD].[Tyr3OH].[Tyr3NO].[Tyr35d].[Tyr26d].' + + '[Tyr_Me].[Tyr_Bn].[Tyr_3I].[nTyr].[meY].[dY].[DTyrMe].[DTyrEt].[NMe2Ab].[NMe4Ab].[Pqa].[pnT].' + + '[pnG].[pnC].[pnA].[Pip].[Oic].[Oic3aR].[Oic3aS].[Sta].[Sta3xi].[Tic].[Wil].[aMeTy3].[aMeTyr].' + + '[D-nTyr].[D-gGlu].[D-hPhe].[Bux]}$$$$V2.0', + + 'PEPTIDE1{[DACys].[Ala-al]}|PEPTIDE2{[DAlaol].[Ala-ol]}|PEPTIDE3{[D-OAla].[Gly-al]}|' + + 'PEPTIDE4{[L-OAla].[Phg-ol]}|PEPTIDE5{[DAhPhe].[-NHBn]}|PEPTIDE6{[DAPhg3].[Phe-al]}|' + + 'PEPTIDE7{[DAGlyB].[-NHEt]}|PEPTIDE8{[PhLA].[Phe-ol]}|PEPTIDE9{[DAGlyC].[Lys-ol]}|' + + 'PEPTIDE10{[DAGlyP].[Arg-al]}|PEPTIDE11{[DAGlyT].[DPhgol]}$$$$V2.0', + + 'PEPTIDE1{[DAPhg4].[Pro-ol]}|PEPTIDE2{[DALeu].[Leu-ol]}|PEPTIDE3{[OLeu].[-OtBu]}|' + + 'PEPTIDE4{[meP].[Pro-al]}|PEPTIDE5{[D-OVal].[dThrol]}|PEPTIDE6{[L-OVal].[-Et]}|' + + 'PEPTIDE7{[Ac-].[-Bn]}|PEPTIDE8{[Bua-].[-OEt]}|PEPTIDE9{[Cbz-].[-Ph]}|' + + 'PEPTIDE10{[Bn-].[Am-]}|PEPTIDE11{[DANcy].[Leu-al]}$$$$V2.0', + + 'PEPTIDE1{[fmoc-].[Thr-ol]}|PEPTIDE2{[DADip].[Val-ol]}|PEPTIDE3{[Glc].[-Me]}|' + + 'PEPTIDE4{[Boc-].[Aib-ol]}|PEPTIDE5{[Bz-]}|PEPTIDE6{[DAChg].[DADab]}|PEPTIDE7{[NHBn-].[Gly-ol]}|' + + 'PEPTIDE8{[MsO-].[Lys-al]}|PEPTIDE9{[Mpa].[Asp-al]}|PEPTIDE10{[Et-].[DProol]}|PEPTIDE11{[Me-].[Hsl]}$$$$V2.0', + + 'PEPTIDE1{[Hva]}|PEPTIDE2{[Mba]}|PEPTIDE3{[OMe-].[-NMe]}|PEPTIDE4{[NMe24A].[-OBn]}|' + + 'PEPTIDE5{[NMe23A].[DTyr3O]}|PEPTIDE6{[OBn-].[Oxa]}|PEPTIDE7{[DAnTyr].[Pyrro]}|' + + 'PEPTIDE8{[Tos-].[-OMe]}$$$$V2.0', +]; + +test('2. Check that in snake mode all modifid monomers are marked', async () => { + /* + Test task: https://github.com/epam/ketcher/issues/6206 + Description: Check that in sequence mode all modifid monomers are marked + Case: + 1. Open HELM with all not modified monomers at snake mode + 2. Take a screenshot to verify that all modified monomers are marked + */ + for (const modifiedMonomer of modifiedMonomers) { + await pasteFromClipboardAndAddToMacromoleculesCanvas( + page, + MacroFileType.HELM, + modifiedMonomer, + ); + await takeEditorScreenshot(page, { hideMonomerPreview: true }); + await selectClearCanvasTool(page); + } +}); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/1-Check-that-every-not-modified-amino-acid-s-31ba2-x-and-snake-modes-are-not-marked-as-modified-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/1-Check-that-every-not-modified-amino-acid-s-31ba2-x-and-snake-modes-are-not-marked-as-modified-1-chromium-linux.png new file mode 100644 index 0000000000..81d9618f0f Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/1-Check-that-every-not-modified-amino-acid-s-31ba2-x-and-snake-modes-are-not-marked-as-modified-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/2-Check-that-in-snake-mode-all-modifid-monomers-are-marked-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/2-Check-that-in-snake-mode-all-modifid-monomers-are-marked-1-chromium-linux.png new file mode 100644 index 0000000000..8b46c656fb Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/2-Check-that-in-snake-mode-all-modifid-monomers-are-marked-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/2-Check-that-in-snake-mode-all-modifid-monomers-are-marked-10-chromium-linux.png 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b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/2-Check-that-in-snake-mode-all-modifid-monomers-are-marked-9-chromium-linux.png new file mode 100644 index 0000000000..d335a77384 Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Snake-Mode/snake-mode.spec.ts-snapshots/2-Check-that-in-snake-mode-all-modifid-monomers-are-marked-9-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Reactions/Cascade-Reactions/cascade-reactions.spec.ts b/ketcher-autotests/tests/Reactions/Cascade-Reactions/cascade-reactions.spec.ts index 6c5115f35d..1fbeafc017 100644 --- a/ketcher-autotests/tests/Reactions/Cascade-Reactions/cascade-reactions.spec.ts +++ b/ketcher-autotests/tests/Reactions/Cascade-Reactions/cascade-reactions.spec.ts @@ -1,3 +1,4 @@ +/* eslint-disable max-len */ /* eslint-disable no-magic-numbers */ import { Page, test } from '@playwright/test'; import { @@ -27,6 +28,7 @@ import { RingButton, selectRectangleSelectionTool, waitForRender, + waitForSpinnerFinishedWork, } from '@utils'; import { closeErrorAndInfoModals } from '@utils/common/helpers'; import { @@ -35,6 +37,7 @@ import { verifyRdfFile, } from '@utils/files/receiveFileComparisonData'; import { pressUndoButton } from '@utils/macromolecules/topToolBar'; +import { addTextToCanvas } from '@utils/selectors/addTextBoxToCanvas'; async function addTail(page: Page, x: number, y: number) { await page.mouse.click(x, y, { button: 'right' }); @@ -117,91 +120,95 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x0.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-1x0-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (1:0)', + testCaseDescription: '1. RDF file with RXN V2000 single reactions (1:0)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x1.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-1x1-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (1:1)', + testCaseDescription: '2. RDF file with RXN V2000 single reactions (1:1)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x2.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-1x2-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (1:2)', + testCaseDescription: '3. RDF file with RXN V2000 single reactions (1:2)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x0.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-2x0-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (2:0)', + testCaseDescription: '4. RDF file with RXN V2000 single reactions (2:0)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x1.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-2x1-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (2:1)', + testCaseDescription: '5. RDF file with RXN V2000 single reactions (2:1)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x2.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-2x2-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (2:2)', + testCaseDescription: '6. RDF file with RXN V2000 single reactions (2:2)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-3x1.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-3x1-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (3:1)', + testCaseDescription: '7. RDF file with RXN V2000 single reactions (3:1)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-3x3.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-3x3-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (3:3)', + testCaseDescription: '8. RDF file with RXN V2000 single reactions (3:3)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x0.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-1x0-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (1:0)', + testCaseDescription: '9. RDF file with RXN V3000 single reactions (1:0)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x1.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-1x1-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (1:1)', + testCaseDescription: '10. RDF file with RXN V3000 single reactions (1:1)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x2.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-1x2-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (1:2)', + testCaseDescription: '11. RDF file with RXN V3000 single reactions (1:2)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x0.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-2x0-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (2:0)', + testCaseDescription: '12. RDF file with RXN V3000 single reactions (2:0)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x1.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-2x1-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (2:1)', + testCaseDescription: '13. RDF file with RXN V3000 single reactions (2:1)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x2.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-2x2-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (2:2)', + testCaseDescription: '14. RDF file with RXN V3000 single reactions (2:2)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-3x1.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-3x1-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (3:1)', + testCaseDescription: '15. RDF file with RXN V3000 single reactions (3:1)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-3x3.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-3x3-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (3:3)', + testCaseDescription: '16. RDF file with RXN V3000 single reactions (3:3)', }, ]; testCases.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -215,21 +222,27 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-24x24.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-24x24-expected.ket', - testCaseDescription: 'RDF file with RXN V2000 single reactions (24:24)', + testCaseDescription: + '1. RDF file with RXN V2000 single reactions (24:24)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-24x24.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reaction-24x24-expected.ket', - testCaseDescription: 'RDF file with RXN V3000 single reactions (24:24)', + testCaseDescription: + '2. RDF file with RXN V3000 single reactions (24:24)', }, ]; testCases1.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -244,22 +257,26 @@ test.describe('Cascade Reactions', () => { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reactions-4.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reactions-4-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 4 single reactions (1:1, 2:2, 1:0, 2:0)', + '1. RDF file with RXN V2000 4 single reactions (1:1, 2:2, 1:0, 2:0)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reactions-4.rdf', ketFile: 'KET/rdf-rxn-v3000-single-reactions-4-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 4 single reactions (1:1, 2:2, 1:0, 2:0)', + '2. RDF file with RXN V3000 4 single reactions (1:1, 2:2, 1:0, 2:0)', }, ]; testCases2.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -274,35 +291,39 @@ test.describe('Cascade Reactions', () => { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-atoms.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-2-1-1-atoms-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-1-1 with atoms', + '1. RDF file with RXN V2000 single cascade reaction 2-1-1 with atoms', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-3-1-1-atoms.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-3-1-1-atoms-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 3-1-1 with atoms', + '2. RDF file with RXN V2000 single cascade reaction 3-1-1 with atoms', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-atoms.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-2-1-1-atoms-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-1-1 with atoms', + '3. RDF file with RXN V3000 single cascade reaction 2-1-1 with atoms', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-3-1-1-atoms.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-3-1-1-atoms-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 3-1-1 with atoms', + '4. RDF file with RXN V3000 single cascade reaction 3-1-1 with atoms', }, ]; testCases3.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} RDF file with RXN V2000/V3000 single cascade reaction 2-1-1 and 3-1-1 with atoms can be loaded, reactions are displayed on Canvas with Multi-Tailed and filled single arrows, verify that sizes of arrows are correct (single arrow: length = 7, Multi-Tailed arrow: head = 6.5, tail = 0.5, spine = 2.5). We have a bug https://github.com/epam/Indigo/issues/2583 after fix we need update snapshots and test files. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -317,118 +338,122 @@ test.describe('Cascade Reactions', () => { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-2-1-1-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-1-1', + '1. RDF file with RXN V2000 single cascade reaction 2-1-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-2-1.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-2-2-1-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-2-1', + '2. RDF file with RXN V2000 single cascade reaction 2-2-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-3-1.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-2-3-1-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-3-1', + '3. RDF file with RXN V2000 single cascade reaction 2-3-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-2-1.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-2-1-2-1-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-1-2-1', + '4. RDF file with RXN V2000 single cascade reaction 2-1-2-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-2-3-1.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-2-2-3-1-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-2-3-1', + '5. RDF file with RXN V2000 single cascade reaction 2-2-3-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-3-4-1.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-2-3-4-1-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-3-4-1', + '6. RDF file with RXN V2000 single cascade reaction 2-3-4-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-7-1.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-7-1-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 7-1', + '7. RDF file with RXN V2000 single cascade reaction 7-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-tails-5.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-tails-5-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 5 tails', + '8. RDF file with RXN V2000 single cascade reaction 5 tails', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-tails-12.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reaction-tails-12-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 12 tails', + '9. RDF file with RXN V2000 single cascade reaction 12 tails', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-2-1-1-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-1-1', + '10. RDF file with RXN V3000 single cascade reaction 2-1-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-2-1.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-2-2-1-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-2-1', + '11. RDF file with RXN V3000 single cascade reaction 2-2-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-3-1.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-2-3-1-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-3-1', + '12. RDF file with RXN V3000 single cascade reaction 2-3-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-2-1.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-2-1-2-1-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-1-2-1', + '13. RDF file with RXN V3000 single cascade reaction 2-1-2-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-2-3-1.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-2-2-3-1-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-2-3-1', + '14. RDF file with RXN V3000 single cascade reaction 2-2-3-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-3-4-1.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-2-3-4-1-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-3-4-1', + '15. RDF file with RXN V3000 single cascade reaction 2-3-4-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-7-1.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-7-1-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 7-1', + '16. RDF file with RXN V3000 single cascade reaction 7-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-tails-5.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-tails-5-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 5 tails', + '17. RDF file with RXN V3000 single cascade reaction 5 tails', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-tails-12.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reaction-tails-12-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 12 tails', + '18. RDF file with RXN V3000 single cascade reaction 12 tails', }, ]; testCases4.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} RDF file with RXN V2000/V3000 single cascade reaction 2-1-1 and 3-1-1 with atoms can be loaded, reactions are displayed on Canvas with Multi-Tailed and filled single arrows, verify that sizes of arrows are correct (single arrow: length = 7, Multi-Tailed arrow: head = 6.5, tail = 0.5, spine = 2.5). + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -443,34 +468,38 @@ test.describe('Cascade Reactions', () => { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reactions-3.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reactions-3-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 cascade reactions together', + '1. RDF file with RXN V2000 3 cascade reactions together', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reactions-2-single-2.rdf', ketFile: 'KET/rdf-rxn-v2000-cascade-reactions-2-single-2-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 2 cascade and 2 single reactions', + '2. RDF file with RXN V2000 2 cascade and 2 single reactions', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reactions-3.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reactions-3-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 3 cascade reactions together', + '3. RDF file with RXN V3000 3 cascade reactions together', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reactions-2-single-2.rdf', ketFile: 'KET/rdf-rxn-v3000-cascade-reactions-2-single-2-expected.ket', testCaseDescription: - 'RDF file with RXN V3000 2 cascade and 2 single reactions', + '4. RDF file with RXN V3000 2 cascade and 2 single reactions', }, ]; testCases5.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -487,7 +516,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-prod-1-react-2-2+-elements-case-1-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 1)', + '1. RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 1)', }, { rdfFile: @@ -495,7 +524,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-prod-1-react-2-2+-elements-case-2-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 2)', + '2. RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 2)', }, { rdfFile: @@ -503,7 +532,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-prod-1-react-2-2+-elements-case-3-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 3)', + '3. RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 3)', }, { rdfFile: @@ -511,7 +540,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-prod-1-react-2-2+-elements-case-4-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 4)', + '4. RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 4)', }, { rdfFile: @@ -519,7 +548,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-prod-1-react-2-2+-elements-case-5-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 5)', + '5. RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 5)', }, { rdfFile: @@ -527,7 +556,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-prod-1-react-2-2+-elements-case-6-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 6)', + '6. RDF file with RXN V2000 3 reactions where 1 product of 1 reaction is matched to 2 same reactants of another 2 reactions by 2+ elements (case 6)', }, { rdfFile: @@ -535,7 +564,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-cascade-1-or-reactions-2-case-1-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 1)', + '7. RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 1)', }, { rdfFile: @@ -543,7 +572,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-cascade-1-or-reactions-2-case-2-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 2)', + '8. RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 2)', }, { rdfFile: @@ -551,7 +580,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-cascade-1-or-reactions-2-case-3-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 3)', + '9. RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 3)', }, { rdfFile: @@ -559,7 +588,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-cascade-1-or-reactions-2-case-4-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 4)', + '10. RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 4)', }, { rdfFile: @@ -567,7 +596,7 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-cascade-1-or-reactions-2-case-5-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 5)', + '11. RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 5)', }, { rdfFile: @@ -575,16 +604,20 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-cascade-1-or-reactions-2-case-6-new-expected.ket', testCaseDescription: - 'RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 6)', + '12. RDF file with RXN V2000 3 reactions where 2 products of 2 reactions are matched to 2 same reactants of 2 reactions by 2+ elements (case 6)', }, ]; testCases6.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + and correct positions, after that they can be saved to KET with correct sizes and positions, after that loaded from KET with correct sizes and positions. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -598,7 +631,11 @@ test.describe('Cascade Reactions', () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: Cascade and Single reactions can be added to selected place on Canvas from 2 different RDF files with correct positions - and they can be saved together to .ket file with correct parameters. + and they can be saved together to .ket file with correct parameters. + Case: + 1. Open two RDF file v2000 and v3000 + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject( 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1.rdf', @@ -627,50 +664,53 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-reagent-1x1x1.rdf', testCaseDescription: - 'RDF RXN V2000 file with reaction with reagents (1:1:1)', + '1. RDF RXN V2000 file with reaction with reagents (1:1:1)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-reagents-2x2x2.rdf', testCaseDescription: - 'RDF RXN V2000 file with reaction with reagents (2:2:2)', + '2. RDF RXN V2000 file with reaction with reagents (2:2:2)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-reagent-1x1x1.rdf', testCaseDescription: - 'RDF RXN V3000 file with reaction with reagents (1:1:1)', + '3. RDF RXN V3000 file with reaction with reagents (1:1:1)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-reagents-2x2x2.rdf', testCaseDescription: - 'RDF RXN V3000 file with reaction with reagents (2:2:2)', + '4. RDF RXN V3000 file with reaction with reagents (2:2:2)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade reaction with reagents', + '5. RDF RXN V2000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade reaction with reagents', + '6. RDF RXN V3000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-1-single-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade and single reactions with reagents', + '7. RDF RXN V2000 file with cascade and single reactions with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-1-single-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade and single reactions with reagents', + '8. RDF RXN V3000 file with cascade and single reactions with reagents', }, ]; testCases7.forEach(({ rdfFile, testCaseDescription }) => { - test(`Load ${testCaseDescription} verify that reagents are ignored and not added to Canvas`, async () => { + test(`Load ${testCaseDescription} verify that reagents are ignored and not added to Canvas`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 - Description: Reagents are ignored and not added to Canvas. + Description: Reagents are ignored and not added to Canvas. + Case: + 1. Open RDF file + 2. Take screenshot */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -683,19 +723,19 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/rdf-rxn-v2000-root-reaction-with-same-reactants-expected.ket', testCaseDescription: - 'RXN V2000 file with reactions where root reaction has the same reactants', + '1. RXN V2000 file with reactions where root reaction has the same reactants', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-with-abbreviation.rdf', ketFile: 'KET/rdf-rxn-v2000-single-reaction-with-abbreviation-expected.ket', testCaseDescription: - 'RDF RXN V2000 file with several reactants and products with abbreviations', + '2. RDF RXN V2000 file with several reactants and products with abbreviations', }, ]; testCases8.forEach(({ rdfFile, ketFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to KET`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow @@ -705,6 +745,10 @@ test.describe('Cascade Reactions', () => { https://github.com/epam/Indigo/issues/2320 https://github.com/epam/Indigo/issues/2408 After fix we should update snapshots and test files. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -717,12 +761,12 @@ test.describe('Cascade Reactions', () => { const testCases9 = [ { testName: - 'Verify that Cascade Reaction is correctly displayed in RDF RXN V2000 format in Open Structure Preview', + '1. Verify that Cascade Reaction is correctly displayed in RDF RXN V2000 format in Open Structure Preview', rdfFile: 'RDF-V2000/rdf-mol-v2000-no-reaction-3-elements.rdf', }, { testName: - 'Verify that Cascade Reaction is correctly displayed in RDF RXN V3000 format in Open Structure Preview', + '2. Verify that Cascade Reaction is correctly displayed in RDF RXN V3000 format in Open Structure Preview', rdfFile: 'RDF-V3000/rdf-mol-v3000-no-reaction-3-elements.rdf', }, ]; @@ -732,6 +776,9 @@ test.describe('Cascade Reactions', () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: Cascade Reaction is correctly displayed in RDF RXN V2000/V3000 format in Open Structure Preview + Case: + 1. Open RDF file Open Structure Preview + 2. Take screenshot */ await selectTopPanelButton(TopPanelButton.Open, page); await openFile(rdfFile, page); @@ -743,21 +790,24 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade reaction with reagents', + '1. RDF RXN V2000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade reaction with reagents', + '2. RDF RXN V3000 file with cascade reaction with reagents', }, ]; testCases10.forEach(({ rdfFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be zoomed in/out (20, 400, 100)`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be zoomed in/out (20, 400, 100)`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be zoomed in/out (20, 400, 100). + and correct positions, after that they can be zoomed in/out (20, 400, 100). + Case: + 1. Open RDF file + 2. Zoom to 20, 400, 100% */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -777,21 +827,24 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade reaction with reagents', + '1. RDF RXN V2000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade reaction with reagents', + '2. RDF RXN V3000 file with cascade reaction with reagents', }, ]; testCases11.forEach(({ rdfFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be Undo/Redo`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be Undo/Redo`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be Undo/Redo. + and correct positions, after that they can be Undo/Redo. + Case: + 1. Open RDF file + 2. Perform Undo and Redo actions */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -804,21 +857,26 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade reaction with reagents', + '1. RDF RXN V2000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade reaction with reagents', + '2. RDF RXN V3000 file with cascade reaction with reagents', }, ]; testCases12.forEach(({ rdfFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be deleted by Erase tool`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be deleted by Erase tool`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be deleted by Erase tool and can be Undo/Redo. + and correct positions, after that they can be deleted by Erase tool and can be Undo/Redo. + Case: + 1. Open RDF file + 2. Select part of structure + 3. Delete part of structure by Erase button + 4. Perform Undo/Redo actions */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -834,21 +892,26 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade reaction with reagents', + '1. RDF RXN V2000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade reaction with reagents', + '2. RDF RXN V3000 file with cascade reaction with reagents', }, ]; testCases13.forEach(({ rdfFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be copy/pasted and Undo/Redo`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be copy/pasted and Undo/Redo`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be copy/pasted and Undo/Redo. + and correct positions, after that they can be copy/pasted and Undo/Redo. + Case: + 1. Open RDF file + 2. Select all structures on canvas + 3. Perform Copy/Paste actions + 4. Perform Undo/Redo actions */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -865,21 +928,26 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade reaction with reagents', + '1. RDF RXN V2000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade reaction with reagents', + '2. RDF RXN V3000 file with cascade reaction with reagents', }, ]; testCases14.forEach(({ rdfFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be cut/pasted and Undo/Redo`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be cut/pasted and Undo/Redo`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be cut/pasted and Undo/Redo. + and correct positions, after that they can be cut/pasted and Undo/Redo. + Case: + 1. Open RDF file + 2. Select all structures on canvas + 3. Perform Cut/Paste actions + 4. Perform Undo/Redo actions */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -896,21 +964,26 @@ test.describe('Cascade Reactions', () => { { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V2000 file with cascade reaction with reagents', + '1. RDF RXN V2000 file with cascade reaction with reagents', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-reagents.rdf', testCaseDescription: - 'RDF RXN V3000 file with cascade reaction with reagents', + '2. RDF RXN V3000 file with cascade reaction with reagents', }, ]; testCases15.forEach(({ rdfFile, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be selected/moved and Undo/Redo`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be selected/moved and Undo/Redo`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2102 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be selected/moved and Undo/Redo. + and correct positions, after that they can be selected/moved and Undo/Redo. + Case: + 1. Open RDF file + 2. Select all structures on canvas + 3. Perform move to new position action + 4. Perform Undo/Redo actions */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -1018,60 +1091,64 @@ test.describe('Cascade Reactions', () => { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x0.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x0-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (1:0)', + testCaseDescription: '1. RDF file with RXN V2000 single reactions (1:0)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x1.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x1-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (1:1)', + testCaseDescription: '2. RDF file with RXN V2000 single reactions (1:1)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x2.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-1x2-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (1:2)', + testCaseDescription: '3. RDF file with RXN V2000 single reactions (1:2)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x0.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x0-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (2:0)', + testCaseDescription: '4. RDF file with RXN V2000 single reactions (2:0)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x1.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x1-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (2:1)', + testCaseDescription: '5. RDF file with RXN V2000 single reactions (2:1)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x2.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-2x2-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (2:2)', + testCaseDescription: '6. RDF file with RXN V2000 single reactions (2:2)', // We have a bug https://github.com/epam/Indigo/issues/2412 }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-3x1.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-3x1-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (3:1)', + testCaseDescription: '7. RDF file with RXN V2000 single reactions (3:1)', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-3x3.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-3x3-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (3:3)', + testCaseDescription: '8. RDF file with RXN V2000 single reactions (3:3)', // We have a bug https://github.com/epam/Indigo/issues/2412 }, ]; testCases16.forEach(({ rdfFile, rdfFileExpected, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded from RDF V2000`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded from RDF V2000`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2237 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be saved to RDF V2000 with correct sizes and positions, after that loaded from RDF V2000 with correct sizes and positions. + and correct positions, after that they can be saved to RDF V2000 with correct sizes and positions, after that loaded from RDF V2000 with correct sizes and positions. + Case: + 1. Open RDF file + 2. Save and verify RDF file + 3. Open saved RDF file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -1091,60 +1168,64 @@ test.describe('Cascade Reactions', () => { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x0.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x0-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (1:0)', + testCaseDescription: '1. RDF file with RXN V3000 single reactions (1:0)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x1.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x1-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (1:1)', + testCaseDescription: '2. RDF file with RXN V3000 single reactions (1:1)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x2.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-1x2-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (1:2)', + testCaseDescription: '3. RDF file with RXN V3000 single reactions (1:2)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x0.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x0-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (2:0)', + testCaseDescription: '4. RDF file with RXN V3000 single reactions (2:0)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x1.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x1-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (2:1)', + testCaseDescription: '5. RDF file with RXN V3000 single reactions (2:1)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x2.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-2x2-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (2:2)', + testCaseDescription: '6. RDF file with RXN V3000 single reactions (2:2)', // We have a bug https://github.com/epam/Indigo/issues/2412 }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-3x1.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-3x1-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (3:1)', + testCaseDescription: '7. RDF file with RXN V3000 single reactions (3:1)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-3x3.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-3x3-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (3:3)', + testCaseDescription: '8. RDF file with RXN V3000 single reactions (3:3)', // We have a bug https://github.com/epam/Indigo/issues/2412 }, ]; testCases17.forEach(({ rdfFile, rdfFileExpected, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded from RDF V3000`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded from RDF V3000`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2237 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow - and correct positions, after that they can be saved to RDF V2000 with correct sizes and positions, after that loaded from RDF V3000 with correct sizes and positions. + and correct positions, after that they can be saved to RDF V2000 with correct sizes and positions, after that loaded from RDF V3000 with correct sizes and positions. + Case: + 1. Open RDF file + 2. Save and verify RDF file + 3. Open saved RDF file */ await openFileAndAddToCanvasAsNewProject(rdfFile, page); await takeEditorScreenshot(page); @@ -1164,24 +1245,30 @@ test.describe('Cascade Reactions', () => { rdfFile: 'RDF-V2000/rdf-rxn-v2000-single-reaction-24x24.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-single-reaction-24x24-expected.rdf', - testCaseDescription: 'RDF file with RXN V2000 single reactions (24:24)', + testCaseDescription: + '1. RDF file with RXN V2000 single reactions (24:24)', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-single-reaction-24x24.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-single-reaction-24x24-expected.rdf', - testCaseDescription: 'RDF file with RXN V3000 single reactions (24:24)', + testCaseDescription: + '2. RDF file with RXN V3000 single reactions (24:24)', }, ]; testCases18.forEach(({ rdfFile, rdfFileExpected, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to RDF`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to RDF`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2237 Description: ${testCaseDescription} can be loaded, reactions are displayed on Canvas with a single filled arrow and correct positions, after that they can be saved to RDF with correct sizes and positions, after that loaded from RDF with correct sizes and positions. Now test working not in proper way because we have a bug https://github.com/epam/Indigo/issues/2412 After fix we should update snapshots and test files + Case: + 1. Open RDF file + 2. Save and verify RDF file + 3. Open saved RDF file */ const fileFormat = rdfFile.includes('V2000') ? 'v2000' : 'v3000'; await openFileAndAddToCanvasAsNewProject(rdfFile, page); @@ -1203,14 +1290,14 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-1-1', + '1. RDF file with RXN V2000 single cascade reaction 2-1-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-2-1.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-2-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-2-1', + '2. RDF file with RXN V2000 single cascade reaction 2-2-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1218,7 +1305,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-3-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-3-1', + '3. RDF file with RXN V2000 single cascade reaction 2-3-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1226,14 +1313,14 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-2-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-1-2-1', + '4. RDF file with RXN V2000 single cascade reaction 2-1-2-1', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-2-3-1.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-2-3-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-2-3-1', + '5. RDF file with RXN V2000 single cascade reaction 2-2-3-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1241,7 +1328,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-3-4-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 2-3-4-1', + '6. RDF file with RXN V2000 single cascade reaction 2-3-4-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1249,7 +1336,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-7-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 7-1', + '7. RDF file with RXN V2000 single cascade reaction 7-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1257,28 +1344,28 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-tails-5-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 5 tails', + '8. RDF file with RXN V2000 single cascade reaction 5 tails', }, { rdfFile: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-tails-12.rdf', rdfFileExpected: 'RDF-V2000/rdf-rxn-v2000-cascade-reaction-tails-12-expected.rdf', testCaseDescription: - 'RDF file with RXN V2000 single cascade reaction 12 tails', + '9. RDF file with RXN V2000 single cascade reaction 12 tails', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-1-1', + '10. RDF file with RXN V3000 single cascade reaction 2-1-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-2-1.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-2-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-2-1', + '11. RDF file with RXN V3000 single cascade reaction 2-2-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1286,7 +1373,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-3-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-3-1', + '12. RDF file with RXN V3000 single cascade reaction 2-3-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1294,14 +1381,14 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-2-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-1-2-1', + '13. RDF file with RXN V3000 single cascade reaction 2-1-2-1', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-2-3-1.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-2-3-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-2-3-1', + '14. RDF file with RXN V3000 single cascade reaction 2-2-3-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1309,7 +1396,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-3-4-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 2-3-4-1', + '15. RDF file with RXN V3000 single cascade reaction 2-3-4-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1317,7 +1404,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-7-1-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 7-1', + '16. RDF file with RXN V3000 single cascade reaction 7-1', // We have bug and after fix need to update snapshots and test files https://github.com/epam/Indigo/issues/2416 }, { @@ -1325,22 +1412,26 @@ test.describe('Cascade Reactions', () => { rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-tails-5-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 5 tails', + '17. RDF file with RXN V3000 single cascade reaction 5 tails', }, { rdfFile: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-tails-12.rdf', rdfFileExpected: 'RDF-V3000/rdf-rxn-v3000-cascade-reaction-tails-12-expected.rdf', testCaseDescription: - 'RDF file with RXN V3000 single cascade reaction 12 tails', + '18. RDF file with RXN V3000 single cascade reaction 12 tails', }, ]; testCases19.forEach(({ rdfFile, rdfFileExpected, testCaseDescription }) => { - test(`Verify that ${testCaseDescription} can be loaded, after that they can be saved/loaded to RDF`, async () => { + test(`${testCaseDescription} can be loaded, after that they can be saved/loaded to RDF`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2237 Description: ${testCaseDescription} RDF file with RXN V2000/V3000 can be loaded, after that they can be saved/loaded to RDF. + Case: + 1. Open RDF file + 2. Save and verify RDF file + 3. Open saved RDF file */ const fileFormat = rdfFile.includes('V2000') ? 'v2000' : 'v3000'; await openFileAndAddToCanvasAsNewProject(rdfFile, page); @@ -1380,6 +1471,10 @@ test.describe('Cascade Reactions', () => { Test case: https://github.com/epam/Indigo/issues/2237 Description: Now test working not in proper way because we have a bug https://github.com/epam/Indigo/issues/2426 After fix we should update snapshots and test files. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file */ const rdfFileExpected = format === 'v2000' ? rdfFileExpectedV2000 : rdfFileExpectedV3000; @@ -1422,6 +1517,10 @@ test.describe('Cascade Reactions', () => { Test case: https://github.com/epam/Indigo/issues/2237 Description: Now test working not in proper way because we have a bug https://github.com/epam/Indigo/issues/2550 After fix we should update snapshots and test files. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file */ const rdfFileExpected = format === 'v2000' ? rdfFileExpectedV2000 : rdfFileExpectedV3000; @@ -1473,6 +1572,10 @@ test.describe('Cascade Reactions', () => { /* Test case: https://github.com/epam/Indigo/issues/2237 Description: ${testCaseDescription} can be saved to RDF ${format.toUpperCase()} format, then reloaded with correct structure. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file */ const rdfFileExpected = @@ -1498,19 +1601,19 @@ test.describe('Cascade Reactions', () => { ketFile: 'KET/ket-single-reaction-0x1.ket', rdfFileExpectedV2000: 'RDF-V2000/ket-single-reaction-0x1-expected.rdf', rdfFileExpectedV3000: 'RDF-V3000/ket-single-reaction-0x1-expected.rdf', - testCaseDescription: 'KET single reaction (0:1)', + testCaseDescription: '1. KET single reaction (0:1)', }, { ketFile: 'KET/ket-single-reaction-0x2.ket', rdfFileExpectedV2000: 'RDF-V2000/ket-single-reaction-0x2-expected.rdf', rdfFileExpectedV3000: 'RDF-V3000/ket-single-reaction-0x2-expected.rdf', - testCaseDescription: 'KET single reaction (0:2)', + testCaseDescription: '2. KET single reaction (0:2)', }, { ketFile: 'KET/ket-single-reaction-2x0.ket', rdfFileExpectedV2000: 'RDF-V2000/ket-single-reaction-2x0-expected.rdf', rdfFileExpectedV3000: 'RDF-V3000/ket-single-reaction-2x0-expected.rdf', - testCaseDescription: 'KET single reaction (2:0)', + testCaseDescription: '3. KET single reaction (2:0)', }, { ketFile: 'KET/ket-single-reaction-1x1-with-several-tails.ket', @@ -1518,7 +1621,7 @@ test.describe('Cascade Reactions', () => { 'RDF-V2000/ket-single-reaction-1x1-with-several-tails-expected.rdf', rdfFileExpectedV3000: 'RDF-V3000/ket-single-reaction-1x1-with-several-tails-expected.rdf', - testCaseDescription: 'KET single reaction (1:1 with several tails)', + testCaseDescription: '4. KET single reaction (1:1 with several tails)', }, { ketFile: 'KET/ket-single-reaction-2x2-with-pluses.ket', @@ -1526,13 +1629,13 @@ test.describe('Cascade Reactions', () => { 'RDF-V2000/ket-single-reaction-2x2-with-pluses-expected.rdf', rdfFileExpectedV3000: 'RDF-V3000/ket-single-reaction-2x2-with-pluses-expected.rdf', - testCaseDescription: 'KET single reaction (2:2 with pluses)', + testCaseDescription: '5. KET single reaction (2:2 with pluses)', }, { ketFile: 'KET/ket-single-reaction-3x1.ket', rdfFileExpectedV2000: 'RDF-V2000/ket-single-reaction-3x1-expected.rdf', rdfFileExpectedV3000: 'RDF-V3000/ket-single-reaction-3x1-expected.rdf', - testCaseDescription: 'KET single reaction (3:1)', + testCaseDescription: '6. KET single reaction (3:1)', }, { ketFile: 'KET/ket-cascade-reaction-3-1-2-1-1.ket', @@ -1540,7 +1643,7 @@ test.describe('Cascade Reactions', () => { 'RDF-V2000/ket-cascade-reaction-3-1-2-1-1-expected.rdf', rdfFileExpectedV3000: 'RDF-V3000/ket-cascade-reaction-3-1-2-1-1-expected.rdf', - testCaseDescription: 'KET cascade reaction (3-1-2-1-1)', + testCaseDescription: '7. KET cascade reaction (3-1-2-1-1)', }, { ketFile: @@ -1550,7 +1653,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-cascade-single-reactions-3-1-2-1-1-2x2-with-pluses-row-expected.rdf', testCaseDescription: - 'KET cascade single reaction (3-1-2-1-1-2x2-with-pluses-row)', + '8. KET cascade single reaction (3-1-2-1-1-2x2-with-pluses-row)', }, { ketFile: @@ -1560,7 +1663,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-cascade-single-reactions-3-1-2-1-1-2x2-with-pluses-bottom-top-expected.rdf', testCaseDescription: - 'KET cascade single reaction (3-1-2-1-1-2x2-with-pluses-bottom-top)', + '9. KET cascade single reaction (3-1-2-1-1-2x2-with-pluses-bottom-top)', }, ]; @@ -1572,11 +1675,15 @@ test.describe('Cascade Reactions', () => { testCaseDescription, }) => { (['v2000', 'v3000'] as const).forEach((format) => { - test(`Verify that ${testCaseDescription} can be saved/loaded to/from ${format.toUpperCase()}`, async () => { + test(`${testCaseDescription} can be saved/loaded to/from ${format.toUpperCase()}`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2237 Description: ${testCaseDescription} can be saved to RDF ${format.toUpperCase()} format, then reloaded with correct structure. We have a bug https://github.com/epam/Indigo/issues/2424 After fix we should update test files and snapshots. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file */ const rdfFileExpected = @@ -1638,6 +1745,15 @@ test.describe('Cascade Reactions', () => { Test case: https://github.com/epam/Indigo/issues/2237 Description: Loaded from RDF RXN file, added cascade reaction to Canvas, added other elements, cascade reactions with elements saved to RDF formats with the correct positions. + Case: + 1. Open RDF file + 2. Add Benzene ring to canvas + 3. Add tail to multi-tailed arrow + 4. Erase part of structure + 5. Perform Undo/Redo actions + 6. Perform Copy/Paste actions + 7. Save and verify RDF file + 8. Open saved RDF file */ const rdfFile = format === 'v2000' ? rdfFileV2000 : rdfFileV3000; const rdfFileExpected = @@ -1680,7 +1796,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-single-reaction-5x3-with-pluses-expected.rdf', testCaseDescription: - 'KET single reaction with Multi-Tailed arrow and pluses near reactants and products (5:3)', + '1. KET single reaction with Multi-Tailed arrow and pluses near reactants and products (5:3)', }, { ketFile: 'KET/ket-single-reactions-2-5x3-with-pluses-top-bottom.ket', @@ -1689,7 +1805,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-single-reactions-2-5x3-with-pluses-top-bottom-expected.rdf', testCaseDescription: - 'KET two single reactions (one under another) with Multi-Tailed arrow and pluses near reactants and products (5:3)', + '2. KET two single reactions (one under another) with Multi-Tailed arrow and pluses near reactants and products (5:3)', }, { ketFile: 'KET/ket-single-reactions-2-5x3-with-pluses-left-right.ket', @@ -1698,7 +1814,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-single-reactions-2-5x3-with-pluses-left-right-expected.rdf', testCaseDescription: - 'KET two single reactions (two in a row) with Multi-Tailed arrow and pluses near reactants and products (5:3)', + '3. KET two single reactions (two in a row) with Multi-Tailed arrow and pluses near reactants and products (5:3)', }, { ketFile: 'KET/ket-cascade-reaction-tails-5-with-pluses.ket', @@ -1707,7 +1823,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-cascade-reaction-tails-5-with-pluses-expected.rdf', testCaseDescription: - 'KET cascade reaction (5 tails with pluses) with single/Multi-Tailed arrows and pluses near reactants and products', + '4. KET cascade reaction (5 tails with pluses) with single/Multi-Tailed arrows and pluses near reactants and products', }, { ketFile: @@ -1717,7 +1833,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-single-cascade-reactions-with-pluses-5x3-tails-5-top-bottom-expected.rdf', testCaseDescription: - 'KET cascade and single reactions (one under another 5:3, 5 tails) with Multi-Tailed arrow and pluses near reactants and products', + '5. KET cascade and single reactions (one under another 5:3, 5 tails) with Multi-Tailed arrow and pluses near reactants and products', }, { ketFile: @@ -1727,7 +1843,7 @@ test.describe('Cascade Reactions', () => { rdfFileExpectedV3000: 'RDF-V3000/ket-single-cascade-reactions-with-pluses-5x3-tails-5-row-expected.rdf', testCaseDescription: - 'KET two cascade and single reactions (two in a row 5:3, 5 tails) with Multi-Tailed arrow and pluses near reactants and products', + '6. KET two cascade and single reactions (two in a row 5:3, 5 tails) with Multi-Tailed arrow and pluses near reactants and products', }, ]; @@ -1739,11 +1855,15 @@ test.describe('Cascade Reactions', () => { testCaseDescription, }) => { (['v2000', 'v3000'] as const).forEach((format) => { - test(`Verify that ${testCaseDescription} can be saved/loaded to/from ${format.toUpperCase()}`, async () => { + test(`${testCaseDescription} can be saved/loaded to/from ${format.toUpperCase()}`, async () => { /* Test case: https://github.com/epam/Indigo/issues/2237 Description: ${testCaseDescription} can be saved to RDF ${format.toUpperCase()} format, then reloaded with correct structure. We have a bug https://github.com/epam/Indigo/issues/2424 After fix we should update test files and snapshots. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file */ const rdfFileExpected = @@ -1763,4 +1883,837 @@ test.describe('Cascade Reactions', () => { }); }, ); + + const testCases26 = [ + { + rdfFile: 'RDF-V2000/rdf-single-reaction-1x1-no-wrap-30-symbols.rdf', + testCaseDescription: + '1. RDF V2000 single reaction with Multi-Tailed or single arrow (1:1) and reactions name and conditions with no wrapping (30 symbols in a line)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-2x1-no-wrap-30-symbols.rdf', + testCaseDescription: + '2. RDF V2000 single reaction with Multi-Tailed or single arrow (2:1) and reactions name and conditions with no wrapping (30 symbols in a line)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines.rdf', + testCaseDescription: + '3. RDF V2000 single reaction with Multi-Tailed or single arrow (1:1) and reactions name and conditions with auto wrapping (9 lines)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-9-lines.rdf', + testCaseDescription: + '4. RDF V2000 single reaction with Multi-Tailed or single arrow (2:1) and reactions name and conditions with auto wrapping (9 lines)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines-truncated.rdf', + testCaseDescription: + '5. RDF V2000 single reaction with Multi-Tailed or single arrow (1:1) and reactions name and conditions with auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic and truncated (last 3 points are replaced by points), font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-9-lines-truncated.rdf', + testCaseDescription: + '6. RDF V2000 single reaction with Multi-Tailed or single arrow (2:1) and reactions name and conditions with auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic and truncated (last 3 points are replaced by points), font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-5x1-auto-wrap-spaces-all-elements.rdf', + testCaseDescription: + '7. RDF V2000 single reaction with Multi-Tailed or single arrow (5:1) and reactions name and conditions with spaces, all possible elements, auto wrapping', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces.rdf', + testCaseDescription: + '8. RDF V2000 single reaction with Multi-Tailed or single arrow (1:1) and reactions name and conditions with spaces, all possible elements, auto wrapping', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces-all-elements-truncated.rdf', + testCaseDescription: + '9. RDF V2000 single reaction with Multi-Tailed or single arrow (1:1) and reactions name and conditions with spaces, all possible elements, auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Text of conditions is truncated, name is in bold, conditions is in italic, font is 13', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-spaces-all-elements-truncated.rdf', + testCaseDescription: + '10. RDF V2000 single reaction with Multi-Tailed or single arrow (2:1) and reactions name and conditions with spaces, all possible elements, auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Text of conditions is truncated, name is in bold, conditions is in italic, font is 13', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-2x1-name-no-wrap-30-symbols.rdf', + testCaseDescription: + '11. RDF V2000 single reaction with Multi-Tailed or single arrow (2:1) and only reactions name and empty conditions with no wrapping (30 symbols in a line)', + testCaseExpectedResult: ' Text of name is in bold, font size is 13', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-1x1-conditions-not-available-no-wrap-30-symbols.rdf', + testCaseDescription: + '12. RDF V2000 single reaction with Single arrow (1:1) and only reactions name and not available conditions with no wrapping (30 symbols in a line)', + testCaseExpectedResult: ' Text of name is in bold, font size is 13', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-name-9-lines.rdf', + testCaseDescription: + '13. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and only reactions name with auto wrapping (9 lines)', + testCaseExpectedResult: 'Text of name is in bold, font size is 13', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-name-9-lines-truncated.rdf', + testCaseDescription: + '14. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and only reactions name with auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Text of name is in bold and truncated (last 3 points are replaced by points), font size is 13', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-conditions-no-wrap-30-symbols.rdf', + testCaseDescription: + '15. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and only reactions conditions and empty name with no wrapping (30 symbols in a line)', + testCaseExpectedResult: + 'Text of conditions is in italic, first line is empty, font size is 13', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-1x1-name-not-available-no-wrap-30-symbols.rdf', + testCaseDescription: + '16. RDF V2000 single reaction with Single arrow (1:1) and only reactions conditions and not available name with no wrapping (30 symbols in a line)', + testCaseExpectedResult: + 'Text of conditions is in italic, first line is empty, font size is 13', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-conditions-9-lines.rdf', + testCaseDescription: + '17. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and only reactions conditions with auto wrapping (9 lines)', + testCaseExpectedResult: + 'Text of conditions is in italic, font size is 13, the first line is empty', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-conditions-9-lines-truncated.rdf', + testCaseDescription: + '18. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and only reactions conditions with auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Text of conditions is in italic and truncated (last 3 points are replaced by points), font size is 13, the first line is empty', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-space-after-30-symbols.rdf', + testCaseDescription: + '19. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and reactions name and conditions with spaces and auto wrapping (after 30 symbols)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-space-after-30-symbols-with-space.rdf', + testCaseDescription: + '20. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and reactions name and conditions with spaces and auto wrapping (after 30 symbols with space)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-space-before-30-symbols.rdf', + testCaseDescription: + '21. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and reactions name and conditions with spaces and auto wrapping (before 30 symbols)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-2x1-manual-wrap-9-lines.rdf', + testCaseDescription: + '22. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and reactions name and conditions with manual wrapping (9 lines)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-manual-wrap-9-lines-truncated.rdf', + testCaseDescription: + '23. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and reactions name and conditions with manual wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic and truncated (last 3 points are replaced by points), font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-not-available-name-conditions.rdf', + testCaseDescription: + '24. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and not available reactions name and conditions', + testCaseExpectedResult: 'There is no text', + }, + { + rdfFile: + 'RDF-V2000/rdf-single-reaction-2x1-auto-wrap-special-symbols.rdf', + testCaseDescription: + '25. RDF V2000 single reaction with Multi-Tailed arrow (2:1) and reactions name and conditions with special symbols and auto wrapping', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + rdfFile: + 'RDF-V2000/rdf-v2000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf', + testCaseDescription: + '26. RDF V2000 cascade reaction with Multi-Tailed and single arrow (2:1:1) and reactions name and conditions with auto wrapping/truncating', + testCaseExpectedResult: + 'Text of name and conditions is displayed correctly', + }, + { + rdfFile: + 'RDF-V3000/rdf-v3000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf', + testCaseDescription: + '27. RDF V3000 cascade reaction with Multi-Tailed and single arrow (2:1:1) and reactions name and conditions with auto wrapping/truncating', + testCaseExpectedResult: + 'Text of name and conditions is displayed correctly', + }, + { + rdfFile: + 'RDF-V2000/rdf-v2000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf', + testCaseDescription: + '28. RDF V2000 cascade reaction with Multi-Tailed and single arrow (2:1:2:1) and reactions name and conditions with auto wrapping/truncating', + testCaseExpectedResult: + 'Text of name and conditions is displayed correctly', + }, + { + rdfFile: + 'RDF-V3000/rdf-v3000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf', + testCaseDescription: + '29. RDF V3000 cascade reaction with Multi-Tailed and single arrow (2:1:2:1) and reactions name and conditions with auto wrapping/truncating', + testCaseExpectedResult: + 'Text of name and conditions is displayed correctly', + }, + { + rdfFile: 'RDF-V2000/rdf-single-reaction-2x1-atoms-no-wrap-30-symbols.rdf', + testCaseDescription: + '30. RDF V2000 single reaction with Multi-Tailed arrow (2:1), atoms and reactions name and conditions with no wrapping (30 symbols in a line)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + ]; + + testCases26.forEach(({ rdfFile, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} and verify that the text is added correctly`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2559 + Description: ${testCaseExpectedResult} + Case: + 1. Open RDF file + 2. Take screenshot + */ + await openFileAndAddToCanvasAsNewProject(rdfFile, page); + await takeEditorScreenshot(page); + }); + }); + + const testCases27 = [ + { + rdfFile: 'RDF-V2000/rdf-cascade-reactions-name-conditions.rdf', + ketFile: 'KET/rdf-cascade-reactions-name-conditions-expected.ket', + testCaseDescription: + 'RDF V2000 cascade reactions with Multi-Tailed and single arrow (5-tails and 2:1:1) and reactions name and conditions', + }, + ]; + + testCases27.forEach(({ rdfFile, ketFile, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription}, after that they can be saved/loaded to KET`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2559 + Description: Text of name and conditions is displayed correctly (7 different cases), after that saved to KET and load from KET, and it's displayed correctly. + Case: + 1. Open RDF file + 2. Save and verify KET file + 3. Open saved KET file + */ + await openFileAndAddToCanvasAsNewProject(rdfFile, page); + await takeEditorScreenshot(page); + await verifyFileExport(page, ketFile, FileType.KET); + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + }); + }); + + const testCases28 = [ + { + ketFile: 'KET/ket-single-2x1-text-top-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-top-match-expected.rdf', + testCaseDescription: + '1. KET reaction with text name and matching with bounding box on the different sides (top) from Multi-Tailed Arrow (2:1)', + }, + { + ketFile: 'KET/ket-single-2x1-text-bottom-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-bottom-match-expected.rdf', + testCaseDescription: + '2. KET reaction with text name and matching with bounding box on the different sides (bottom) from Multi-Tailed Arrow (2:1)', + }, + { + ketFile: 'KET/ket-single-2x1-text-left-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-left-match-expected.rdf', + testCaseDescription: + '3. KET reaction with text name and matching with bounding box on the different sides (left) from Multi-Tailed Arrow (2:1)', + }, + { + ketFile: 'KET/ket-single-2x1-text-right-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-right-match-expected.rdf', + testCaseDescription: + '4. KET reaction with text name and matching with bounding box on the different sides (right) from Multi-Tailed Arrow (2:1)', + }, + ]; + + testCases28.forEach( + ({ ketFile, rdfFileExpectedV2000, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} save to RDF V2000, add to Canvas from RDF V2000, verify that reaction with text name is displayed correctly`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: ${testCaseDescription} can be saved to RDF V2000 format, then reloaded with correct structure. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file + */ + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + 'v2000', + rdfFileExpectedV2000, + `tests/test-data/${rdfFileExpectedV2000}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpectedV2000, page); + await takeEditorScreenshot(page); + }); + }, + ); + + const testCases29 = [ + { + ketFile: 'KET/ket-single-2x1-text-top-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-top-no-match-expected.rdf', + testCaseDescription: + '1. KET reaction with text name and no matching with bounding box on the different sides (top) from Multi-Tailed Arrow (2:1)', + }, + { + ketFile: 'KET/ket-single-2x1-text-bottom-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-bottom-no-match-expected.rdf', + testCaseDescription: + '2. KET reaction with text name and no matching with bounding box on the different sides (bottom) from Multi-Tailed Arrow (2:1)', + }, + { + ketFile: 'KET/ket-single-2x1-text-left-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-left-no-match-expected.rdf', + testCaseDescription: + '3. KET reaction with text name and no matching with bounding box on the different sides (left) from Multi-Tailed Arrow (2:1)', + }, + { + ketFile: 'KET/ket-single-2x1-text-right-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-2x1-text-right-no-match-expected.rdf', + testCaseDescription: + '4. KET reaction with text name and no matching with bounding box on the different sides (right) from Multi-Tailed Arrow (2:1)', + }, + ]; + + testCases29.forEach( + ({ ketFile, rdfFileExpectedV2000, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} save to RDF V2000, add to Canvas from RDF V2000, verify that reaction without text name is displayed correctly`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: ${testCaseDescription} can be saved to RDF V2000 format, then reloaded with correct structure. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file + */ + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + 'v2000', + rdfFileExpectedV2000, + `tests/test-data/${rdfFileExpectedV2000}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpectedV2000, page); + await takeEditorScreenshot(page); + }); + }, + ); + + const testCases30 = [ + { + ketFile: 'KET/ket-single-1x1-2x1-text-top-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-top-match-expected.rdf', + testCaseDescription: + '1. KET reaction with text name and matching with bounding box on the different sides (top) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + { + ketFile: 'KET/ket-single-1x1-2x1-text-bottom-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-bottom-match-expected.rdf', + testCaseDescription: + '2. KET reaction with text name and matching with bounding box on the different sides (bottom) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + { + ketFile: 'KET/ket-single-1x1-2x1-text-left-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-left-match-expected.rdf', + testCaseDescription: + '3. KET reaction with text name and matching with bounding box on the different sides (left) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + { + ketFile: 'KET/ket-single-1x1-2x1-text-right-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-right-match-expected.rdf', + testCaseDescription: + '4. KET reaction with text name and matching with bounding box on the different sides (right) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + ]; + + testCases30.forEach( + ({ ketFile, rdfFileExpectedV2000, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} save to RDF V2000, add to Canvas from RDF V2000, verify that reaction with text name is displayed correctly`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: ${testCaseDescription} can be saved to RDF V2000 format, then reloaded with correct structure. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file + */ + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + 'v2000', + rdfFileExpectedV2000, + `tests/test-data/${rdfFileExpectedV2000}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpectedV2000, page); + await takeEditorScreenshot(page); + }); + }, + ); + + const testCases31 = [ + { + ketFile: 'KET/ket-single-1x1-2x1-text-top-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-top-no-match-expected.rdf', + testCaseDescription: + '1. KET reaction with text name and no matching with bounding box on the different sides (top) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + { + ketFile: 'KET/ket-single-1x1-2x1-text-bottom-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-bottom-no-match-expected.rdf', + testCaseDescription: + '2. KET reaction with text name and no matching with bounding box on the different sides (bottom) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + { + ketFile: 'KET/ket-single-1x1-2x1-text-left-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-left-no-match-expected.rdf', + testCaseDescription: + '3. KET reaction with text name and no matching with bounding box on the different sides (left) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + { + ketFile: 'KET/ket-single-1x1-2x1-text-right-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-1x1-2x1-text-right-no-match-expected.rdf', + testCaseDescription: + '4. KET reaction with text name and no matching with bounding box on the different sides (right) from Single Arrow (1:1), Multi-Tailed Arrow is also added', + }, + ]; + + testCases31.forEach( + ({ ketFile, rdfFileExpectedV2000, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} save to RDF V2000, add to Canvas from RDF V2000, verify that reaction without text name is displayed correctly`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: ${testCaseDescription} can be saved to RDF V2000 format, then reloaded with correct structure. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file + */ + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + 'v2000', + rdfFileExpectedV2000, + `tests/test-data/${rdfFileExpectedV2000}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpectedV2000, page); + await takeEditorScreenshot(page); + }); + }, + ); + + const testCases32 = [ + { + ketFile: 'KET/ket-cascade-2-1-1-text-name-conditions-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-2-1-1-text-name-conditions-match-expected.rdf', + testCaseDescription: + '1. KET cascade reaction (2:1:1) with text name, conditions and matching with bounding box', + testCaseExpectedResult: + 'Reaction with text name in bold and conditions in italic are displayed correctly with font = 13', + }, + { + ketFile: 'KET/ket-cascade-2-1-1-text-name-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-2-1-1-text-name-match-expected.rdf', + testCaseDescription: + '2. KET cascade reaction (2:1:1) with text name only and matching with bounding box', + testCaseExpectedResult: + 'Reaction only with name in bold is displayed correctly with font = 13', + }, + { + ketFile: 'KET/ket-cascade-2-1-1-text-conditions-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-2-1-1-text-conditions-match-expected.rdf', + testCaseDescription: + '3. KET cascade reaction (2:1:1) with text conditions only and matching with bounding box', + testCaseExpectedResult: + 'Reaction only with name in italic is displayed correctly with font = 13, the first line is empty', + }, + { + ketFile: 'KET/ket-cascade-2-1-1-text-name-conditions-no-match.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-2-1-1-text-name-conditions-no-match-expected.rdf', + testCaseDescription: + '4. KET cascade reaction (2:1:1) with text name, conditions and no matching with bounding box', + testCaseExpectedResult: 'There are no reactions name and conditions', + }, + { + ketFile: 'KET/ket-cascade-reaction-2-1-1-auto-wrap-9-lines.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-9-lines-expected.rdf', + testCaseDescription: + '5. KET cascade reaction (2:1:1) with text name, conditions, matching with bounding box and future auto wrapping (9 lines)', + testCaseExpectedResult: + 'Reaction with text name in bold and conditions in italic are displayed correctly with font = 13', + }, + { + ketFile: 'KET/ket-cascade-reaction-2-1-1-auto-wrap-9-lines-truncated.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-9-lines-truncated-expected.rdf', + testCaseDescription: + '6. KET cascade reaction (2:1:1) with text name, conditions, matching with bounding box and future auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Reaction with text name in bold and conditions in italic (truncated) are displayed correctly with font = 13', + }, + { + ketFile: + 'KET/ket-cascade-reaction-2-1-1-auto-wrap-name-9-lines-truncated.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-name-9-lines-truncated-expected.rdf', + testCaseDescription: + '7. KET cascade reaction (2:1:1) with only text name, matching with bounding box and future auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Reaction with text name in bold (truncated) is displayed correctly with font = 13', + }, + { + ketFile: + 'KET/ket-cascade-reaction-2-1-1-auto-wrap-conditions-9-lines-truncated.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-conditions-9-lines-truncated-expected.rdf', + testCaseDescription: + '8. KET cascade reaction (2:1:1) with only text conditions, matching with bounding box and future auto wrapping and truncating (more than 9 lines)', + testCaseExpectedResult: + 'Reaction with text conditions in italic (truncated) is displayed correctly with font = 13', + }, + { + ketFile: 'KET/ket-cascade-reaction-2-1-1-auto-wrap-spaces-9-lines.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-9-lines-expected.rdf', + testCaseDescription: + '9. KET cascade reaction (2:1:1) with text name, conditions, matching with bounding box and future auto wrapping (9 lines), spaces', + testCaseExpectedResult: + 'Reaction with text name in bold and conditions in italic are displayed correctly with font = 13', + }, + { + ketFile: + 'KET/ket-cascade-reaction-2-1-1-auto-wrap-spaces-all-elements-9-lines-truncated.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-all-elements-9-lines-truncated-expected.rdf', + testCaseDescription: + '10. KET cascade reaction (2:1:1) with text name, conditions, matching with bounding box and future auto wrapping, spaces, truncating (more than 9 lines)', + testCaseExpectedResult: + 'Reaction with text name in bold and conditions in italic (truncated) are displayed correctly with font = 13', + }, + { + ketFile: 'KET/ket-cascade-reaction-2-1-1-manual-wrap-9-lines.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-manual-wrap-9-lines-expected.rdf', + testCaseDescription: + '11. KET cascade reaction with Multi-Tailed arrow (2:1:1) and reactions name and conditions with manual wrapping (9 lines)', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + ketFile: 'KET/ket-single-reaction-2x1-name-conditions-long.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-reaction-2x1-name-conditions-long-expected.rdf', + testCaseDescription: + '12. KET single reaction (2:1) with very long text name, conditions, matching with bounding box', + testCaseExpectedResult: 'Truncated symbols are saved', + }, + { + ketFile: 'KET/ket-cascade-reaction-2-1-1-multiple-texts.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reaction-2-1-1-multiple-texts-expected.rdf', + testCaseDescription: + '13. KET cascade reaction (2:1:1) with multiple texts and matching with bounding box', + testCaseExpectedResult: + 'Only nearest one is saved (algorithm checks minimal distance between start of head arrow and left bottom corner of text box), load from RDF V2000, reaction displayed correctly with only one text box near each part of reaction', + }, + { + ketFile: 'KET/ket-single-reaction-2x1-atoms-no-wrap-30-symbols.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-reaction-2x1-atoms-no-wrap-30-symbols-expected.rdf', + testCaseDescription: + '14. KET single reaction (2:1) with atoms, text name, conditions, matching with bounding box', + testCaseExpectedResult: + 'Text of name and conditions is displayed correctly', + }, + { + ketFile: 'KET/ket-single-reaction-2x1-text-modified.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-reaction-2x1-text-modified-expected.rdf', + testCaseDescription: + '15. KET single reaction with Multi-Tailed (2:1) and reactions name and conditions, text of them is modified using editor', + testCaseExpectedResult: 'The modifications are lost', + }, + ]; + + testCases32.forEach( + ({ ketFile, rdfFileExpectedV2000, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} save to RDF V2000, add to Canvas from RDF V2000`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: ${testCaseDescription} can be saved to RDF V2000 format, then reloaded with correct structure. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file + */ + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + 'v2000', + rdfFileExpectedV2000, + `tests/test-data/${rdfFileExpectedV2000}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpectedV2000, page); + await takeEditorScreenshot(page); + }); + }, + ); + + const testCases33 = [ + { + ketFile: 'KET/ket-cascade-reactions-name-conditions.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-cascade-reactions-name-conditions-expected.rdf', + rdfFileExpectedV3000: + 'RDF-V3000/ket-cascade-reactions-name-conditions-expected.rdf', + testCaseDescription: + 'KET cascade reactions with Multi-Tailed and single arrow (5-tails and 2:1:1) and reactions name and conditions', + }, + ]; + + testCases33.forEach( + ({ + ketFile, + rdfFileExpectedV2000, + rdfFileExpectedV3000, + testCaseDescription, + }) => { + (['v2000', 'v3000'] as const).forEach((format) => { + test(`Verify that ${testCaseDescription} can be saved/loaded to/from ${format.toUpperCase()}`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: ${testCaseDescription} can be saved to RDF ${format.toUpperCase()} format, then reloaded with correct structure. + Case: + 1. Open KET file + 2. Save and verify RDF file + 3. Open saved RDF file + */ + const rdfFileExpected = + format === 'v2000' ? rdfFileExpectedV2000 : rdfFileExpectedV3000; + + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + format, + rdfFileExpected, + `tests/test-data/${rdfFileExpected}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpected, page); + await takeEditorScreenshot(page); + }); + }); + }, + ); + + const testCases34 = [ + { + rdfFile: 'RDF-V2000/ket-cascade-reactions-name-conditions-expected.rdf', + rdfFileExpectedV3000: + 'RDF-V3000/ket-cascade-reactions-name-conditions-v3000.rdf', + testCaseDescription: + 'RDF V2000 cascade reactions with Multi-Tailed and single arrow (5-tails and 2:1:1) and reactions name and conditions', + testCaseExpectedResult: + 'Reaction with text name in bold and conditions in italic are displayed correctly with font = 13', + }, + ]; + + testCases34.forEach( + ({ rdfFile, rdfFileExpectedV3000, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} save to RDF V3000, add to Canvas from RDF V3000`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: ${testCaseDescription} can be saved to RDF V3000 format, then reloaded with correct structure. + Case: + 1. Open RDF file + 2. Save and verify RDF file + 3. Open saved RDF file + */ + await openFileAndAddToCanvasAsNewProject(rdfFile, page); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + 'v3000', + rdfFileExpectedV3000, + `tests/test-data/${rdfFileExpectedV3000}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpectedV3000, page); + await takeEditorScreenshot(page); + }); + }, + ); + + const testCases35 = [ + { + ketFile: 'KET/ket-single-reaction-2-1-1-no-text.ket', + rdfFileExpectedV2000: + 'RDF-V2000/ket-single-reaction-2-1-1-no-text-expected.rdf', + rdfFileExpectedV3000: + 'RDF-V3000/ket-single-reaction-2-1-1-no-text-expected.rdf', + testCaseDescription: + 'KET cascade reaction (2-1-1) without text, using "Add Text" tool, add text name and conditions for each part of reaction', + }, + ]; + + testCases35.forEach( + ({ + ketFile, + rdfFileExpectedV2000, + rdfFileExpectedV3000, + testCaseDescription, + }) => { + (['v2000', 'v3000'] as const).forEach((format) => { + test(`Add to Canvas from ${testCaseDescription} then can be saved/loaded to/from ${format.toUpperCase()}`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2404 + Description: Added to Canvas from KET cascade reaction (2-1-1) without text, using "Add Text" tool, + added text name and conditions for each part of reaction, saved to RDF V2000/V3000 formats, after that loaded from RDF V2000/V3000, + verified that they are displayed correctly with name and conditions. + Case: + 1. Open KET file + 2. Add text above arrows + 3. Save and verify RDF file + 4. Open saved RDF file + */ + const rdfFileExpected = + format === 'v2000' ? rdfFileExpectedV2000 : rdfFileExpectedV3000; + + await openFileAndAddToCanvas(ketFile, page); + await addTextToCanvas(page, 'abcde FGHIJKLMNOP!@##$%^^^&*', 470, 360); + await pressButton(page, 'Apply'); + await addTextToCanvas(page, 'abcde FGHIJKLMNOP!@##$%^^^&*', 700, 360); + await pressButton(page, 'Apply'); + await takeEditorScreenshot(page); + await verifyRdfFile( + page, + format, + rdfFileExpected, + `tests/test-data/${rdfFileExpected}`, + ); + await openFileAndAddToCanvasAsNewProject(rdfFileExpected, page); + await takeEditorScreenshot(page); + }); + }); + }, + ); + + const testCases36 = [ + { + ketFile: 'KET/ket-single-reaction-2x1-name-conditions-layout.ket', + testCaseDescription: + '1. KET single reaction (2:1) with very text name, conditions, matching with bounding box', + testCaseExpectedResult: + 'Text of name is in bold, text of conditions is in italic, font size is 13, empty line between name and conditions', + }, + { + ketFile: 'KET/ket-cascade-reactions-name-conditions.ket', + testCaseDescription: + '2. KET cascade reactions with Multi-Tailed and single arrow (5-tails and 2:1:1) and reactions name and conditions', + testCaseExpectedResult: + 'Text of name and conditions is displayed correctly', + }, + ]; + + testCases36.forEach(({ ketFile, testCaseDescription }) => { + test(`Add to Canvas from ${testCaseDescription} make Layout and verify that the text is looked correctly`, async () => { + /* + Test case: https://github.com/epam/Indigo/issues/2559 + Description: ${testCaseExpectedResult} + Case: + 1. Open KET file + 2. Make Layout + 3. Take screenshot + */ + await openFileAndAddToCanvasAsNewProject(ketFile, page); + await takeEditorScreenshot(page); + await waitForSpinnerFinishedWork( + page, + async () => await selectTopPanelButton(TopPanelButton.Layout, page), + ); + await takeEditorScreenshot(page); + }); + }); }); diff --git a/ketcher-autotests/tests/Reactions/Cascade-Reactions/cascade-reactions.spec.ts-snapshots/Cascade-Reactions-Verify-that-KET-single-reaction-0-1-can-be-saved-loaded-to-from-V2000-1-chromium-linux.png b/ketcher-autotests/tests/Reactions/Cascade-Reactions/cascade-reactions.spec.ts-snapshots/Cascade-Reactions-1-KET-single-reaction-0-1-can-be-saved-loaded-to-from-V2000-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Reactions/Cascade-Reactions/cascade-reactions.spec.ts-snapshots/Cascade-Reactions-Verify-that-KET-single-reaction-0-1-can-be-saved-loaded-to-from-V2000-1-chromium-linux.png rename to 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a/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts b/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts index 6508ae3bd6..55b10dab64 100644 --- a/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts +++ b/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts @@ -25,7 +25,9 @@ import { RingButton, screenshotBetweenUndoRedo, selectAllStructuresOnCanvas, + selectAromatizeTool, selectClearCanvasTool, + selectDearomatizeTool, selectDropdownTool, selectEraseTool, selectLeftPanelButton, @@ -3571,9 +3573,9 @@ test.describe('Multi-Tailed Arrow Tool', () => { page, ); await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Aromatize, page); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Dearomatize, page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); await verifyFileExport( page, diff --git a/ketcher-autotests/tests/Settings/Stereochemistry/ignore-chiral-flag.spec.ts b/ketcher-autotests/tests/Settings/Stereochemistry/ignore-chiral-flag.spec.ts index 3f3733434d..85596abb6a 100644 --- a/ketcher-autotests/tests/Settings/Stereochemistry/ignore-chiral-flag.spec.ts +++ b/ketcher-autotests/tests/Settings/Stereochemistry/ignore-chiral-flag.spec.ts @@ -6,6 +6,7 @@ import { clickOnCanvas, copyAndPaste, cutAndPaste, + openFileAndAddToCanvasAsNewProject, openSettings, pressButton, takeEditorScreenshot, @@ -80,4 +81,16 @@ test.describe('Ignore Chiral Flag', () => { await pressUndoButton(page); await takeEditorScreenshot(page); }); + + test('Verify absence "Enhanced Stereochemistry" flag and stereocenters', async ({ + page, + }) => { + // Test case: https://github.com/epam/ketcher/issues/6161 + await applyIgnoreChiralFlag(page); + await openFileAndAddToCanvasAsNewProject( + 'Molfiles-V2000/non-proprietary-structure.mol', + page, + ); + await takeEditorScreenshot(page); + }); }); diff --git a/ketcher-autotests/tests/Settings/Stereochemistry/ignore-chiral-flag.spec.ts-snapshots/Ignore-Chiral-Flag-Verify-absence-Enhanced-Stereochemistry-flag-and-stereocenters-1-chromium-linux.png b/ketcher-autotests/tests/Settings/Stereochemistry/ignore-chiral-flag.spec.ts-snapshots/Ignore-Chiral-Flag-Verify-absence-Enhanced-Stereochemistry-flag-and-stereocenters-1-chromium-linux.png new file mode 100644 index 0000000000..6e294f0848 Binary files /dev/null and b/ketcher-autotests/tests/Settings/Stereochemistry/ignore-chiral-flag.spec.ts-snapshots/Ignore-Chiral-Flag-Verify-absence-Enhanced-Stereochemistry-flag-and-stereocenters-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Structure-Creating-&-Editing/Bond-Tool/all-bonds.spec.ts b/ketcher-autotests/tests/Structure-Creating-&-Editing/Bond-Tool/all-bonds.spec.ts index 7c1be252aa..695dce235b 100644 --- a/ketcher-autotests/tests/Structure-Creating-&-Editing/Bond-Tool/all-bonds.spec.ts +++ b/ketcher-autotests/tests/Structure-Creating-&-Editing/Bond-Tool/all-bonds.spec.ts @@ -43,6 +43,8 @@ import { copyToClipboardByKeyboard, pasteFromClipboardByKeyboard, clickOnCanvas, + selectAromatizeTool, + selectDearomatizeTool, } from '@utils'; import { getAtomByIndex } from '@utils/canvas/atoms'; import { @@ -618,9 +620,9 @@ test.describe('Bond Tool', () => { i++; } await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Dearomatize, page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Aromatize, page); + await selectAromatizeTool(page); await takeEditorScreenshot(page); }); }); diff --git a/ketcher-autotests/tests/Templates/Functional-Groups/Functional-Group-Tools/functional-group-tools.spec.ts b/ketcher-autotests/tests/Templates/Functional-Groups/Functional-Group-Tools/functional-group-tools.spec.ts index bc3c95ca24..1255da054e 100644 --- a/ketcher-autotests/tests/Templates/Functional-Groups/Functional-Group-Tools/functional-group-tools.spec.ts +++ b/ketcher-autotests/tests/Templates/Functional-Groups/Functional-Group-Tools/functional-group-tools.spec.ts @@ -32,6 +32,8 @@ import { waitForSpinnerFinishedWork, selectAllStructuresOnCanvas, clickOnCanvas, + selectAromatizeTool, + selectDearomatizeTool, } from '@utils'; import { getAtomByIndex } from '@utils/canvas/atoms'; import { getRotationHandleCoordinates } from '@utils/clicks/selectButtonByTitle'; @@ -773,10 +775,10 @@ test.describe('Templates - Functional Group Tools3', () => { await page.getByText('Expand Abbreviation').click(); }); - await selectTopPanelButton(TopPanelButton.Aromatize, page); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await selectTopPanelButton(TopPanelButton.Dearomatize, page); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); diff --git a/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts b/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts index 053ed7c065..6f38704863 100644 --- a/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts +++ b/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts @@ -19,6 +19,8 @@ import { AtomButton, selectTopPanelButton, TopPanelButton, + selectAromatizeTool, + selectDearomatizeTool, removeExplicitHydrogens, } from '@utils'; import { waitForLoadAndRender } from '@utils/common/loaders/waitForLoad/waitForLoad'; @@ -186,13 +188,9 @@ test.describe('Open Ketcher', () => { */ await takeTopToolbarScreenshot(page); await drawBenzeneRing(page); - await waitForLoadAndRender(page, async () => { - await selectTopPanelButton(TopPanelButton.Aromatize, page); - }); + await selectAromatizeTool(page); await takeEditorScreenshot(page); - await waitForLoadAndRender(page, async () => { - await selectTopPanelButton(TopPanelButton.Dearomatize, page); - }); + await selectDearomatizeTool(page); await takeEditorScreenshot(page); }); diff --git a/ketcher-autotests/tests/test-data/KET/ket-cascade-2-1-1-text-conditions-match.ket b/ketcher-autotests/tests/test-data/KET/ket-cascade-2-1-1-text-conditions-match.ket new file mode 100644 index 0000000000..27cfa57b2b --- /dev/null +++ b/ketcher-autotests/tests/test-data/KET/ket-cascade-2-1-1-text-conditions-match.ket @@ -0,0 +1,503 @@ +{ + "root": { + "nodes": [ + { + "$ref": "mol0" + }, + { + "$ref": "mol1" + }, + { + "$ref": "mol2" + }, + { + "$ref": "mol3" + }, + { + "type": "arrow", + "data": { + "mode": "open-angle", + "pos": [ + { + "x": 26.425, + "y": -8.275, + "z": 0 + }, + { + "x": 29.63290040369086, + "y": -8.275, + "z": 0 + } + ] + } + }, + { + "type": "text", + "data": { + "content": 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a/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-2-1-1-text-name-conditions-no-match-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-2-1-1-text-name-conditions-no-match-expected.rdf new file mode 100644 index 0000000000..02a76dc153 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-2-1-1-text-name-conditions-no-match-expected.rdf @@ -0,0 +1,104 @@ +$RDFILE 1 +$DATM 12/17/24 10:52 +$RFMT +$RXN + + -INDIGO- 1217241052 + + 1 1 +$MOL + + -INDIGO-12172410522D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 16.3108 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4448 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4448 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.3108 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1769 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1769 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 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 +M END +$MOL + + -INDIGO-12172410522D + + 5 5 0 0 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b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-2-1-1-text-name-match-expected.rdf new file mode 100644 index 0000000000..e2e12b8708 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-2-1-1-text-name-match-expected.rdf @@ -0,0 +1,104 @@ +$RDFILE 1 +$DATM 12/17/24 10:40 +$RFMT +$RXN + + -INDIGO- 1217241040 + + 1 1 +$MOL + + -INDIGO-12172410402D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 16.3108 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4448 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4448 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.3108 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1769 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1769 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 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 +M END +$MOL + + -INDIGO-12172410402D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 23.5393 -7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.3483 -7.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.0393 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b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-9-lines-expected.rdf @@ -0,0 +1,108 @@ +$RDFILE 1 +$DATM 12/17/24 11:00 +$RFMT +$RXN + + -INDIGO- 1217241100 + + 1 1 +$MOL + + -INDIGO-12172411002D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 8.6797 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8137 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.8137 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.6797 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5457 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5457 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 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 +M END +$MOL + + -INDIGO-12172411002D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 15.9081 -7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.7171 -7.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.4081 -8.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4081 -8.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0991 -7.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 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b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-conditions-9-lines-truncated-expected.rdf @@ -0,0 +1,104 @@ +$RDFILE 1 +$DATM 12/17/24 12:04 +$RFMT +$RXN + + -INDIGO- 1217241204 + + 1 1 +$MOL + + -INDIGO-12172412042D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + -5.0558 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0558 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1897 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1897 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 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 +M END +$MOL + + -INDIGO-12172412042D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 2.1727 -7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9817 -7.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6727 -8.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6727 -8.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3637 -7.8684 0.0000 C 0 0 0 0 0 0 0 0 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-15.5059 -9.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -16.0059 -10.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -16.3149 -9.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -15.0059 -10.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -14.6969 -9.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$MOL + + -INDIGO-12172412042D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + -5.0558 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0558 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1897 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1897 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 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 +M END +$DTYPE Reaction Conditions +$DATUM 213456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd123 diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-name-9-lines-truncated-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-name-9-lines-truncated-expected.rdf new file mode 100644 index 0000000000..d28bbb40a9 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-name-9-lines-truncated-expected.rdf @@ -0,0 +1,104 @@ +$RDFILE 1 +$DATM 12/17/24 12:00 +$RFMT +$RXN + + -INDIGO- 1217241200 + + 1 1 +$MOL + + -INDIGO-12172412002D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + -5.0558 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -8.6590 0.0000 C 0 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1217241200 + + 2 1 +$MOL + + -INDIGO-12172412002D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + -15.3434 -5.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -16.2094 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -16.2094 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -15.3434 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -14.4773 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -14.4773 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-12172412002D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + -15.5059 -9.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -16.0059 -10.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -16.3149 -9.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -15.0059 -10.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -14.6969 -9.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$MOL + + -INDIGO-12172412002D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + -5.0558 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.9218 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0558 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1897 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1897 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 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 +M END +$DTYPE Name +$DATUM 213456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd123 diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-9-lines-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-9-lines-expected.rdf new file mode 100644 index 0000000000..03bc78c98e --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-9-lines-expected.rdf @@ -0,0 +1,108 @@ +$RDFILE 1 +$DATM 12/17/24 12:06 +$RFMT +$RXN + + -INDIGO- 1217241206 + + 1 1 +$MOL + + -INDIGO-12172412062D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 5.8930 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0270 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0270 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8930 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7590 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7590 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 3 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + 5 6 1 0 0 0 0 +M END +$MOL + + -INDIGO-12172412062D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 13.1215 -7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9304 -7.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6214 -8.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6215 -8.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3125 -7.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 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a/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-all-elements-9-lines-truncated-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-all-elements-9-lines-truncated-expected.rdf new file mode 100644 index 0000000000..fd5699cd25 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-cascade-reaction-2-1-1-auto-wrap-spaces-all-elements-9-lines-truncated-expected.rdf @@ -0,0 +1,108 @@ +$RDFILE 1 +$DATM 12/17/24 12:09 +$RFMT +$RXN + + -INDIGO- 1217241209 + + 1 1 +$MOL + + -INDIGO-12172412092D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 6.0221 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1561 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1561 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0221 -9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8881 -8.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8881 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 3 4 1 0 0 0 0 + 4 5 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diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-2x1-text-bottom-match-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-2x1-text-bottom-match-expected.rdf new file mode 100644 index 0000000000..2263bcccb4 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-2x1-text-bottom-match-expected.rdf @@ -0,0 +1,62 @@ +$RDFILE 1 +$DATM 12/16/24 09:21 +$RFMT +$RXN + + -INDIGO- 1216240921 + + 2 1 +$MOL + + -INDIGO-12162409212D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 9.6089 -5.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7429 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7429 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6089 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4750 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4750 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-12162409212D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 9.4464 -9.3868 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a/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-2x1-text-top-match-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-2x1-text-top-match-expected.rdf new file mode 100644 index 0000000000..51e4d6b86b --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-2x1-text-top-match-expected.rdf @@ -0,0 +1,62 @@ +$RDFILE 1 +$DATM 12/16/24 09:20 +$RFMT +$RXN + + -INDIGO- 1216240920 + + 2 1 +$MOL + + -INDIGO-12162409202D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 9.6089 -5.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7429 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7429 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6089 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4750 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4750 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-12162409202D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 9.4464 -9.3868 0.0000 C 0 0 0 0 0 0 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diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-reaction-2x1-text-modified-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-reaction-2x1-text-modified-expected.rdf new file mode 100644 index 0000000000..658273878d --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/ket-single-reaction-2x1-text-modified-expected.rdf @@ -0,0 +1,68 @@ +$RDFILE 1 +$DATM 12/18/24 09:52 +$RFMT +$RXN + + -INDIGO- 1218240952 + + 2 1 +$MOL + + -INDIGO-12182409522D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 7.9025 -4.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0365 -6.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0365 -5.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9025 -6.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7685 -5.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7685 -6.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-12182409522D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 7.9025 -9.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4025 -10.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0935 -10.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.4025 -10.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7115 -10.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$MOL + + -INDIGO-12182409522D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 18.1901 -7.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.3241 -7.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.3241 -8.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.1901 -9.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.0561 -8.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.0561 -7.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6 1 1 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 +M END +$DTYPE Name +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +12345 789 abcd EFGH ~!@#$% &*- +12345 789 abcd EFGH ~!@#$% &*- +$DTYPE Reaction Conditions +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +12345 789 abcd EFGH ~!@#$% &*- +12345 789 abcd EFGH ~!@#$% &*- diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-cascade-reactions-name-conditions.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-cascade-reactions-name-conditions.rdf new file mode 100644 index 0000000000..047e4ee693 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-cascade-reactions-name-conditions.rdf @@ -0,0 +1,453 @@ +$RDFILE 1 +$DATM 10/09/24 16:13 +$RDFILE 1 +$DATM 10/09/24 16:13 +$RFMT +$RXN + + -INDIGO- 1009241613 + + 1 1 +$MOL + + -INDIGO-10092416132D + + 2 1 0 0 0 0 0 0 0 0999 V2000 + 8.2158 -33.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0818 -32.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 0 +M END +$MOL + + -INDIGO-10092416132D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 15.1145 -32.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.1145 -33.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.9806 -33.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8466 -33.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 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-65.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2977 -64.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4329 -66.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2991 -66.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2999 -67.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1663 -68.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0321 -67.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8984 -68.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8992 -69.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7656 -69.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6312 -69.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7664 -70.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6328 -71.3778 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0313 -66.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1649 -66.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 2 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + 5 6 4 0 0 0 0 + 6 7 4 0 0 0 0 + 7 8 4 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 10 11 1 0 0 0 0 + 11 12 1 0 0 0 0 + 11 13 1 0 0 0 0 + 13 14 1 0 0 0 0 + 8 15 4 0 0 0 0 + 15 16 4 0 0 0 0 + 16 5 4 0 0 0 0 +M END +$MOL + + -INDIGO-09132418352D + + 19 19 0 0 0 0 0 0 0 0999 V2000 + 15.2460 -67.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.1116 -67.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.1108 -68.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.9780 -67.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.8437 -67.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7101 -67.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7109 -66.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 19.5757 -67.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.4421 -67.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 21.3077 -67.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.3069 -68.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.1726 -69.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.0390 -68.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.9046 -69.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.7710 -68.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.6366 -69.0693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 24.7718 -67.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 23.0398 -67.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.1742 -67.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 1 0 0 0 0 + 2 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + 5 6 1 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 10 11 4 0 0 0 0 + 11 12 4 0 0 0 0 + 12 13 4 0 0 0 0 + 13 14 1 0 0 0 0 + 14 15 1 0 0 0 0 + 15 16 1 0 0 0 0 + 15 17 2 0 0 0 0 + 13 18 4 0 0 0 0 + 18 19 4 0 0 0 0 + 19 10 4 0 0 0 0 +M END +$MOL + + -INDIGO-09132418352D + + 10 10 0 0 0 0 0 0 0 0999 V2000 + 38.5163 -68.6894 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 39.3827 -68.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 40.2483 -68.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 41.1147 -68.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 41.9803 -68.6922 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 41.1155 -67.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 41.9819 -66.6922 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 + 40.2499 -66.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 39.3835 -67.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 38.5179 -66.6894 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 4 0 0 0 0 + 3 4 4 0 0 0 0 + 4 5 1 0 0 0 0 + 4 6 4 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 4 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 1 0 0 0 0 + 9 2 4 0 0 0 0 +M END +$DTYPE Name +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +$DTYPE Reaction Conditions +$DATUM Not available +$RFMT +$RXN + + -INDIGO- 0913241836 + + 1 1 +$MOL + + -INDIGO-09132418362D + + 10 10 0 0 0 0 0 0 0 0999 V2000 + 50.4073 -68.8144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 51.2737 -68.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 52.1393 -68.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 53.0057 -68.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 53.8713 -68.8172 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 53.0065 -67.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 53.8729 -66.8172 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 + 52.1409 -66.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 51.2745 -67.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 50.4089 -66.8144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 4 0 0 0 0 + 3 4 4 0 0 0 0 + 4 5 1 0 0 0 0 + 4 6 4 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 4 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 1 0 0 0 0 + 9 2 4 0 0 0 0 +M END +$MOL + + -INDIGO-09132418362D + + 4 3 0 0 0 0 0 0 0 0999 V2000 + 60.8409 -67.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 59.9745 -68.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 59.1089 -67.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 58.2425 -68.0400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 0 + 2 3 1 0 0 0 0 + 3 4 1 0 0 0 0 +M END +$DTYPE Name +$DATUM Not available +$DTYPE Reaction Conditions +$DATUM 12345 789 abcd EFGH ~!@#$% &*- diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-expected1.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-expected1.rdf index 6656acdda5..fd5d21b0a0 100644 --- a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-expected1.rdf +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-rxn-v2000-cascade-reaction-2-1-1-expected1.rdf @@ -1,14 +1,14 @@ $RDFILE 1 -$DATM 12/02/24 18:59 +$DATM 12/18/24 13:39 $RFMT $RXN - -INDIGO- 1202241859 + -INDIGO- 1218241339 3 2 $MOL - -INDIGO-12022418592D + -INDIGO-12182413392D 6 6 0 0 0 0 0 0 0 0999 V2000 0.4202 -14.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 @@ -26,7 +26,7 @@ $MOL M END $MOL - -INDIGO-12022418592D + -INDIGO-12182413392D 16 16 0 0 0 0 0 0 0 0999 V2000 0.0789 -2.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 @@ -64,7 +64,7 @@ $MOL M END $MOL - -INDIGO-12022418592D + -INDIGO-12182413392D 19 19 0 0 0 0 0 0 0 0999 V2000 -2.0829 -11.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 @@ -108,7 +108,7 @@ $MOL M END $MOL - -INDIGO-12022418592D + -INDIGO-12182413392D 4 3 0 0 0 0 0 0 0 0999 V2000 31.4829 -8.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 @@ -121,7 +121,7 @@ $MOL M END $MOL - -INDIGO-12022418592D + -INDIGO-12182413392D 10 10 0 0 0 0 0 0 0 0999 V2000 18.5955 -9.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines-truncated.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines-truncated.rdf new file mode 100644 index 0000000000..921da48e3e --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines-truncated.rdf @@ -0,0 +1,46 @@ +$RDFILE 1 +$DATM 11/21/24 17:24 +$RFMT +$RXN + + -INDIGO- 1121241724 + + 1 1 +$MOL + + -INDIGO-11212417242D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 13.5598 -10.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -10.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4266 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -11.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5598 -11.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4288 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212417242D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 20.6751 -10.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.1754 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.4847 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.1747 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.8653 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines.rdf new file mode 100644 index 0000000000..006813fbe7 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-9-lines.rdf @@ -0,0 +1,47 @@ +$RDFILE 1 +$DATM 11/21/24 17:24 +$RFMT +$RXN + + -INDIGO- 1121241724 + + 1 1 +$MOL + + -INDIGO-11212417242D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 13.5598 -10.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -10.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4266 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -11.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5598 -11.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4288 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212417242D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 20.6751 -10.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.1754 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.4847 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.1747 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.8653 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 + diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces-all-elements-truncated.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces-all-elements-truncated.rdf new file mode 100644 index 0000000000..6afdf5dd87 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces-all-elements-truncated.rdf @@ -0,0 +1,46 @@ +$RDFILE 1 +$DATM 11/22/24 17:33 +$RFMT +$RXN + + -INDIGO- 1122241733 + + 1 1 +$MOL + + -INDIGO-11222417332D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 9.0273 5.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7576 5.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8941 5.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7576 4.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0273 4.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8963 3.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11222417332D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 14.9925 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.4929 4.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8021 4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4921 4.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1828 4.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$DTYPE Name +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 4567890 12345 67890abcdefghijklmnopqrstuvwxy ABCDEFG HIJKLMNOPQRSTUVWXYZ1234 567890 ~!@#$%^&*() _-+=?.,{}[]|\/"'`:;<>abc +$DTYPE Reaction Conditions +$DATUM defghi jklmnopqrstuvwxyabcdefghiABCDE \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces.rdf new file mode 100644 index 0000000000..ba6319e88d --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-auto-wrap-spaces.rdf @@ -0,0 +1,46 @@ +$RDFILE 1 +$DATM 11/22/24 14:15 +$RFMT +$RXN + + -INDIGO- 1122241415 + + 1 1 +$MOL + + -INDIGO-11222414152D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 8.0377 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7680 2.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9045 2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7680 1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0377 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9066 0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11222414152D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 15.1737 2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.6741 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.9833 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6733 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3640 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$DTYPE Name +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 4567890 12345 67890abcdefghijklmnopqrstuvwxy ABCDEFGHIJKLMNOPQRSTUVWXYZ1234 567890 abcdefghijklmnopqrstuvwxyabcdefghi +$DTYPE Reaction Conditions +$DATUM 67890 abcdefghijklmnopqrstuvwx \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-conditions-not-available-no-wrap-30-symbols.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-conditions-not-available-no-wrap-30-symbols.rdf new file mode 100644 index 0000000000..1125ddb019 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-conditions-not-available-no-wrap-30-symbols.rdf @@ -0,0 +1,46 @@ +$RDFILE 1 +$DATM 11/21/24 17:24 +$RFMT +$RXN + + -INDIGO- 1121241724 + + 1 1 +$MOL + + -INDIGO-11212417242D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 13.5598 -10.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -10.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4266 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -11.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5598 -11.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4288 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212417242D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 20.6751 -10.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.1754 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.4847 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.1747 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.8653 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$DTYPE Name +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +$DTYPE Reaction Conditions +$DATUM Not available \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-name-not-available-no-wrap-30-symbols.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-name-not-available-no-wrap-30-symbols.rdf new file mode 100644 index 0000000000..338938e8e6 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-name-not-available-no-wrap-30-symbols.rdf @@ -0,0 +1,46 @@ +$RDFILE 1 +$DATM 11/21/24 17:24 +$RFMT +$RXN + + -INDIGO- 1121241724 + + 1 1 +$MOL + + -INDIGO-11212417242D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 13.5598 -10.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -10.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4266 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -11.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5598 -11.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4288 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212417242D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 20.6751 -10.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.1754 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.4847 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.1747 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.8653 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 0 0 0 + 5 4 2 0 0 0 0 + 4 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 3 1 1 0 0 0 0 +M END +$DTYPE Name +$DATUM Not available +$DTYPE Reaction Conditions +$DATUM 12345 789 abcd EFGH ~!@#$% &*- \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-no-wrap-30-symbols.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-no-wrap-30-symbols.rdf new file mode 100644 index 0000000000..92187ff39e --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-1x1-no-wrap-30-symbols.rdf @@ -0,0 +1,46 @@ +$RDFILE 1 +$DATM 11/21/24 17:24 +$RFMT +$RXN + + -INDIGO- 1121241724 + + 1 1 +$MOL + + -INDIGO-11212417242D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 13.5598 -10.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -10.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4266 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2902 -11.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5598 -11.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4288 -11.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212417242D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 20.6751 -10.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.1754 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.4847 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.1747 -11.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.8653 -10.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 5 1 0 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at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-manual-wrap-9-lines.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-manual-wrap-9-lines.rdf new file mode 100644 index 0000000000..2b7dbfc96e --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-manual-wrap-9-lines.rdf @@ -0,0 +1,70 @@ +$RDFILE 1 +$DATM 11/21/24 13:48 +$RFMT +$RXN + + -INDIGO- 1121241348 + + 2 1 +$MOL + + -INDIGO-11212413482D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 21.9261 -9.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.0601 -10.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.0601 -9.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.9261 -11.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.7922 -9.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.7922 -10.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212413482D + + 5 5 0 0 0 0 0 0 0 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--git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-no-wrap-30-symbols.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-no-wrap-30-symbols.rdf new file mode 100644 index 0000000000..87af29f810 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-no-wrap-30-symbols.rdf @@ -0,0 +1,64 @@ +$RDFILE 1 +$DATM 11/21/24 13:48 +$RFMT +$RXN + + -INDIGO- 1121241348 + + 2 1 +$MOL + + -INDIGO-11212413482D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 21.9261 -9.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.0601 -10.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.0601 -9.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.9261 -11.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.7922 -9.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.7922 -10.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212413482D + + 5 5 0 0 0 0 0 0 0 0999 V2000 + 21.9261 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a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-not-available-name-conditions.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-not-available-name-conditions.rdf new file mode 100644 index 0000000000..6c4352f27d --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-2x1-not-available-name-conditions.rdf @@ -0,0 +1,64 @@ +$RDFILE 1 +$DATM 11/21/24 13:48 +$RFMT +$RXN + + -INDIGO- 1121241348 + + 2 1 +$MOL + + -INDIGO-11212413482D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 21.9261 -9.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.0601 -10.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.0601 -9.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.9261 -11.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.7922 -9.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.7922 -10.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212413482D + + 5 5 0 0 0 0 0 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a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-5x1-auto-wrap-spaces-all-elements.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-5x1-auto-wrap-spaces-all-elements.rdf new file mode 100644 index 0000000000..a7defa0e69 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-single-reaction-5x1-auto-wrap-spaces-all-elements.rdf @@ -0,0 +1,107 @@ +$RDFILE 1 +$DATM 11/21/24 19:27 +$RFMT +$RXN + + -INDIGO- 1121241927 + + 5 1 +$MOL + + -INDIGO-11212419272D + + 6 6 0 0 0 0 0 0 0 0999 V2000 + 17.7151 -77.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8491 -79.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.8491 -78.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7151 -79.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.5811 -78.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.5811 -79.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3 1 2 0 0 0 0 + 1 5 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 4 1 0 0 0 0 + 4 2 2 0 0 0 0 + 2 3 1 0 0 0 0 +M END +$MOL + + -INDIGO-11212419272D + + 6 6 0 0 0 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ABCDEFGHIJKLMNOPQRSTUVWXYZ1234 567890 ~!@#$%^&*() _-+=?.,{}[]|\/"'`:;<>abcdefghijklmnopqrstuvwxyabcdefghi +$DTYPE Reaction Conditions +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 4567890 12345 67890abcdefghijklmnopqrstuvwxy ABCDEFGHIJKLMNOPQRSTUVWXYZ1234 567890 ~!@#$%^&*() _-+=?.,{}[]|\/"'`:;<>abcdefghijklmnopqrstuvwxyabcdefghi diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-v2000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-v2000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf new file mode 100644 index 0000000000..97231d6f92 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-v2000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf @@ -0,0 +1,167 @@ +$RDFILE +$RXN + + -INDIGO- 0913241835 + + 2 1 +$MOL + + -INDIGO-09132418352D + + 16 16 0 0 0 0 0 0 0 0999 V2000 + 1.5657 -64.8825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4321 -65.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2977 -64.8811 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+ 3 4 4 0 0 0 0 + 4 5 1 0 0 0 0 + 4 6 4 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 4 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 1 0 0 0 0 + 9 2 4 0 0 0 0 +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$RFMT +$RXN + + -INDIGO- 0913241836 + + 1 1 +$MOL + + -INDIGO-09132418362D + + 10 10 0 0 0 0 0 0 0 0999 V2000 + 50.4073 -68.8144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 51.2737 -68.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 52.1393 -68.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 53.0057 -68.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 53.8713 -68.8172 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 53.0065 -67.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 53.8729 -66.8172 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 + 52.1409 -66.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 51.2745 -67.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 50.4089 -66.8144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 4 0 0 0 0 + 3 4 4 0 0 0 0 + 4 5 1 0 0 0 0 + 4 6 4 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 4 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 1 0 0 0 0 + 9 2 4 0 0 0 0 +M END +$MOL + + -INDIGO-09132418362D + + 4 3 0 0 0 0 0 0 0 0999 V2000 + 60.8409 -67.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 59.9745 -68.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 59.1089 -67.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 58.2425 -68.0400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 0 + 2 3 1 0 0 0 0 + 3 4 1 0 0 0 0 +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V2000/rdf-v2000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-v2000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf new file mode 100644 index 0000000000..66267eb4ca --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V2000/rdf-v2000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf @@ -0,0 +1,194 @@ +$RDFILE +$RXN + + -INDIGO- 0917241400 + + 2 1 +$MOL + + -INDIGO-09172414002D + + 10 10 0 0 0 0 0 0 0 0999 V2000 + 22.0262 -98.2171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 22.8926 -97.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.7582 -98.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.6246 -97.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.4902 -98.2199 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 24.6254 -96.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.4918 -96.2198 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 + 23.7598 -96.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.8934 -96.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.0278 -96.2170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 4 0 0 0 0 + 3 4 4 0 0 0 0 + 4 5 1 0 0 0 0 + 4 6 4 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 4 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 1 0 0 0 0 + 9 2 4 0 0 0 0 +M END +$MOL + + -INDIGO-09172414002D + + 4 3 0 0 0 0 0 0 0 0999 V2000 + 31.6667 -97.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 30.8003 -97.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.9347 -97.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.0683 -97.5897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 0 + 2 3 1 0 0 0 0 + 3 4 1 0 0 0 0 +M END +$MOL + + -INDIGO-09172414002D + + 11 10 0 0 0 0 0 0 0 0999 V2000 + 46.8533 -95.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 47.7267 -95.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 48.5736 -95.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 47.7066 -96.6245 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 47.7066 -97.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 48.7027 -96.6035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 49.3595 -97.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 49.4286 -95.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 46.7428 -96.6084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 46.2355 -97.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 46.0143 -96.0547 0.0000 C 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 + 2 4 1 0 0 0 0 + 4 5 2 0 0 0 0 + 4 6 1 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 1 0 0 0 0 + 4 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 9 11 1 0 0 0 0 +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$RFMT +$RXN + + -INDIGO- 0917241246 + + 2 1 +$MOL + + -INDIGO-09172412462D + + 16 16 0 0 0 0 0 0 0 0999 V2000 + 1.0415 -6.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9080 -7.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7736 -6.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9088 -8.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7750 -8.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7758 -9.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6422 -10.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5081 -9.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3743 -10.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.3751 -11.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2415 -11.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1072 -11.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2423 -12.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1088 -13.2734 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5073 -8.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6408 -8.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 2 0 0 0 0 + 2 4 1 0 0 0 0 + 4 5 1 0 0 0 0 + 5 6 4 0 0 0 0 + 6 7 4 0 0 0 0 + 7 8 4 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 10 11 1 0 0 0 0 + 11 12 1 0 0 0 0 + 11 13 1 0 0 0 0 + 13 14 1 0 0 0 0 + 8 15 4 0 0 0 0 + 15 16 4 0 0 0 0 + 16 5 4 0 0 0 0 +M END +$MOL + + -INDIGO-09172412462D + + 19 19 0 0 0 0 0 0 0 0999 V2000 + 14.7221 -8.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5877 -9.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5869 -10.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.4542 -8.9580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 17.3198 -9.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.1862 -8.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.1870 -7.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 19.0519 -9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.9183 -8.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 20.7839 -9.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.7831 -10.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.6488 -10.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.5152 -10.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 23.3808 -10.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 24.2473 -10.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.1129 -10.9649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 24.2481 -9.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 22.5160 -9.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.6504 -8.9622 0.0000 C 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 + 2 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 + 6 8 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 10 11 4 0 0 0 0 + 11 12 4 0 0 0 0 + 12 13 4 0 0 0 0 + 13 14 1 0 0 0 0 + 14 15 1 0 0 0 0 + 15 16 1 0 0 0 0 + 15 17 2 0 0 0 0 + 13 18 4 0 0 0 0 + 18 19 4 0 0 0 0 + 19 10 4 0 0 0 0 +M END +$MOL + + -INDIGO-09172412462D + + 10 10 0 0 0 0 0 0 0 0999 V2000 + 37.9927 -10.5850 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 38.8592 -10.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 39.7248 -10.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 40.5912 -10.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 41.4569 -10.5878 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 40.5920 -9.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 41.4585 -8.5877 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 + 39.7264 -8.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 38.8600 -9.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 37.9943 -8.5849 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 4 0 0 0 0 + 3 4 4 0 0 0 0 + 4 5 1 0 0 0 0 + 4 6 4 0 0 0 0 + 6 7 1 0 0 0 0 + 6 8 4 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 1 0 0 0 0 + 9 2 4 0 0 0 0 +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V3000/ket-cascade-reactions-name-conditions-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V3000/ket-cascade-reactions-name-conditions-expected.rdf new file mode 100644 index 0000000000..89a60f0b40 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V3000/ket-cascade-reactions-name-conditions-expected.rdf @@ -0,0 +1,503 @@ +$RDFILE 1 +$DATM 12/17/24 13:03 +$RFMT +$RXN V3000 + + -INDIGO- 1217241303 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 2 1 0 0 0 +M V30 BEGIN ATOM +M V30 1 C -7.86325 -7.95288 0.0 0 +M V30 2 C -6.99723 -7.45287 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 1 2 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 2.49133 -7.20289 0.0 0 +M V30 2 C 2.49133 -8.20287 0.0 0 +M V30 3 C 3.35742 -8.70286 0.0 0 +M V30 4 C 4.22341 -8.20287 0.0 0 +M V30 5 C 4.22341 -7.20289 0.0 0 +M V30 6 C 3.35742 -6.70289 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 6 1 +M V30 2 1 1 2 +M V30 3 1 2 3 +M V30 4 1 3 4 +M V30 5 1 4 5 +M V30 6 1 5 6 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890123456789012345678901234567890 +ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd123 +$RFMT +$RXN V3000 + + -INDIGO- 1217241303 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 7 7 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 23.3764 0.309204 0.0 0 +M V30 2 C 24.1603 0.926811 0.0 0 +M V30 3 C 25.1333 0.704208 0.0 0 +M V30 4 C 25.5674 -0.191599 0.0 0 +M V30 5 C 23.3819 -0.698004 0.0 0 +M V30 6 C 25.134 -1.09861 0.0 0 +M V30 7 C 24.1603 -1.32121 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 2 1 +M V30 2 1 1 5 +M V30 3 1 5 7 +M V30 4 1 7 6 +M V30 5 1 6 4 +M V30 6 1 4 3 +M V30 7 1 3 2 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 8 8 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 34.1229 0.107946 0.0 0 +M V30 2 C 34.1231 1.11046 0.0 0 +M V30 3 C 34.8282 1.81576 0.0 0 +M V30 4 C 34.8284 -0.59736 0.0 0 +M V30 5 C 35.8308 -0.59736 0.0 0 +M V30 6 C 36.5363 0.107946 0.0 0 +M V30 7 C 36.5362 1.11046 0.0 0 +M V30 8 C 35.8308 1.81586 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 2 1 +M V30 2 1 1 4 +M V30 3 1 4 5 +M V30 4 1 5 6 +M V30 5 1 6 7 +M V30 6 1 7 8 +M V30 7 1 8 3 +M V30 8 1 3 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 1234567890 1234567890 +abcde FGHIJKLMNOP +~!@#$%^&*()_-+=? \/"'`:; +WWWWWWWW WWW +123456789012345678901234567890 +$DTYPE Reaction Conditions +$DATUM 1234567890 1234567890 +abcde FGHIJKLMNOP +~!@#$%^&*()_-+=? \/"'`:; +WWWWWWWW WWW +$RFMT +$RXN V3000 + + -INDIGO- 1217241303 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 11.0161 -19.6388 0.0 0 +M V30 2 C 11.8825 -19.1396 0.0 0 +M V30 3 C 12.7481 -19.6402 0.0 0 +M V30 4 C 13.6145 -19.1408 0.0 0 +M V30 5 F 14.4801 -19.6416 0.0 0 +M V30 6 C 13.6153 -18.1407 0.0 0 +M V30 7 Br 14.4817 -17.6415 0.0 0 +M V30 8 C 12.7497 -17.6401 0.0 0 +M V30 9 C 11.8833 -18.1395 0.0 0 +M V30 10 F 11.0177 -17.6387 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 4 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 25.6355 -18.3911 0.0 0 +M V30 2 C 24.7692 -18.8906 0.0 0 +M V30 3 C 23.9036 -18.3897 0.0 0 +M V30 4 Cl 23.0373 -18.8891 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$RFMT +$RXN V3000 + + -INDIGO- 1217241303 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 5 5 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 3.84124 -1.99466 0.0 0 +M V30 2 C 4.65023 -2.58245 0.0 0 +M V30 3 C 4.34123 -3.53354 0.0 0 +M V30 4 C 3.34125 -3.53354 0.0 0 +M V30 5 C 3.03225 -2.58245 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 5 +M V30 2 1 5 4 +M V30 3 1 4 3 +M V30 4 1 3 2 +M V30 5 1 2 1 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 2.49133 -7.20289 0.0 0 +M V30 2 C 2.49133 -8.20287 0.0 0 +M V30 3 C 3.35742 -8.70286 0.0 0 +M V30 4 C 4.22341 -8.20287 0.0 0 +M V30 5 C 4.22341 -7.20289 0.0 0 +M V30 6 C 3.35742 -6.70289 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 6 1 +M V30 2 1 1 2 +M V30 3 1 2 3 +M V30 4 1 3 4 +M V30 5 1 4 5 +M V30 6 1 5 6 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 4 4 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 14.6595 -4.68261 0.0 0 +M V30 2 C 14.6558 -3.68759 0.0 0 +M V30 3 C 13.6475 -4.66961 0.0 0 +M V30 4 C 13.645 -3.68759 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 4 +M V30 3 1 4 3 +M V30 4 1 3 1 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 +4567890 12345 +67890abcdefghijklmnopqrstuvwxy +ABCDEFG +HIJKLMNOPQRSTUVWXYZ1234 567890 +~!@#$%^&*() _-+=?.,{}[]|\/"'`: +;<>abc +$DTYPE Reaction Conditions +$DATUM defghi jklmnopqrstuvwxyabcdefghiABCDE +$RFMT +$RXN V3000 + + -INDIGO- 1217241303 + +M V30 COUNTS 3 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 5 4 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 5.25071 7.8935 0.0 0 +M V30 2 C 4.38461 7.3935 0.0 0 +M V30 3 C 3.51861 7.8935 0.0 0 +M V30 4 C 2.65261 7.3935 0.0 0 +M V30 5 C 1.78661 7.8935 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 2 1 +M V30 2 2 3 2 +M V30 3 1 4 3 +M V30 4 1 5 4 +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 C 2.65352 4.1434 0.0 0 +M V30 2 C 4.3838 4.1438 0.0 0 +M V30 3 C 3.52031 4.6435 0.0 0 +M V30 4 C 4.3838 3.14291 0.0 0 +M V30 5 C 2.65352 3.13841 0.0 0 +M V30 6 C 3.52241 2.64341 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 3.51876 0.14341 0.0 0 +M V30 2 C 4.01907 -1.39663 0.0 0 +M V30 3 C 4.32838 -0.450405 0.0 0 +M V30 4 C 3.01835 -1.39663 0.0 0 +M V30 5 C 2.70894 -0.450405 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 REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 3 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 13.8129 3.07597 0.0 0 +M V30 2 C 14.8142 3.07597 0.0 0 +M V30 3 C 14.3136 3.94092 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 END +$DTYPE Name +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +$DTYPE Reaction Conditions +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +$RFMT +$RXN V3000 + + -INDIGO- 1217241303 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 3 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 13.8129 3.07597 0.0 0 +M V30 2 C 14.8142 3.07597 0.0 0 +M V30 3 C 14.3136 3.94092 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 BEGIN CTAB +M V30 COUNTS 4 4 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 14.6595 -4.68261 0.0 0 +M V30 2 C 14.6558 -3.68759 0.0 0 +M V30 3 C 13.6475 -4.66961 0.0 0 +M V30 4 C 13.645 -3.68759 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 4 +M V30 3 1 4 3 +M V30 4 1 3 1 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 7 7 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 23.3764 0.309204 0.0 0 +M V30 2 C 24.1603 0.926811 0.0 0 +M V30 3 C 25.1333 0.704208 0.0 0 +M V30 4 C 25.5674 -0.191599 0.0 0 +M V30 5 C 23.3819 -0.698004 0.0 0 +M V30 6 C 25.134 -1.09861 0.0 0 +M V30 7 C 24.1603 -1.32121 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 2 1 +M V30 2 1 1 5 +M V30 3 1 5 7 +M V30 4 1 7 6 +M V30 5 1 6 4 +M V30 6 1 4 3 +M V30 7 1 3 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 4567890 12345 67890abcdefghijklmnopqrstuvwxy ABCDEFGHIJKLMNOPQRSTUVWXYZ1234 567890 abcdefghijklmnopqrstuvwxyabcdefghi +$DTYPE Reaction Conditions +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 4567890 12345 67890abcdefghijklmnopqrstuvwxy ABCDEFGHIJKLMNOPQRSTUVWXYZ1234 567890 abcdefghijklmnopqrstuvwxyabcdefghi +$RFMT +$RXN V3000 + + -INDIGO- 1217241303 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 16 16 0 0 0 +M V30 BEGIN ATOM +M V30 1 N -5.76847 -11.7675 0.0 0 +M V30 2 C -4.90205 -12.2667 0.0 0 +M V30 3 O -4.03644 -11.7661 0.0 0 +M V30 4 C -4.90125 -13.2668 0.0 0 +M V30 5 C -4.03504 -13.7662 0.0 0 +M V30 6 C -4.03424 -14.7662 0.0 0 +M V30 7 C -3.16782 -15.2654 0.0 0 +M V30 8 C -2.302 -14.7648 0.0 0 +M V30 9 O -1.43568 -15.2642 0.0 0 +M V30 10 C -1.43488 -16.2643 0.0 0 +M V30 11 C -0.568467 -16.7635 0.0 0 +M V30 12 O 0.29715 -16.2629 0.0 0 +M V30 13 C -0.567667 -17.7636 0.0 0 +M V30 14 Cl 0.29875 -18.263 0.0 0 +M V30 15 C -2.3028 -13.7648 0.0 0 +M V30 16 C -3.16922 -13.2656 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 2 2 3 +M V30 3 1 2 4 +M V30 4 1 4 5 +M V30 5 4 5 6 +M V30 6 4 6 7 +M V30 7 4 7 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 1 10 11 +M V30 11 1 11 12 +M V30 12 1 11 13 +M V30 13 1 13 14 +M V30 14 4 8 15 +M V30 15 4 15 16 +M V30 16 4 16 5 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 19 19 0 0 0 +M V30 BEGIN ATOM +M V30 1 C -7.93024 -21.7602 0.0 0 +M V30 2 C -7.06462 -22.2609 0.0 0 +M V30 3 C -7.06543 -23.2609 0.0 0 +M V30 4 N -6.19821 -21.7616 0.0 0 +M V30 5 C -5.3325 -22.2622 0.0 0 +M V30 6 C -4.46609 -21.763 0.0 0 +M V30 7 O -4.46529 -20.763 0.0 0 +M V30 8 C -3.60047 -22.2637 0.0 0 +M V30 9 O -2.73406 -21.7644 0.0 0 +M V30 10 C -1.86845 -22.265 0.0 0 +M V30 11 C -1.86925 -23.2651 0.0 0 +M V30 12 C -1.00353 -23.7657 0.0 0 +M V30 13 C -0.13712 -23.2665 0.0 0 +M V30 14 C 0.728492 -23.7671 0.0 0 +M V30 15 C 1.59491 -23.2679 0.0 0 +M V30 16 N 2.46052 -23.7685 0.0 0 +M V30 17 O 1.5957 -22.2678 0.0 0 +M V30 18 C -0.136319 -22.2665 0.0 0 +M V30 19 C -1.00193 -21.7658 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 2 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 1 6 7 +M V30 7 1 6 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 4 10 11 +M V30 11 4 11 12 +M V30 12 4 12 13 +M V30 13 1 13 14 +M V30 14 1 14 15 +M V30 15 1 15 16 +M V30 16 2 15 17 +M V30 17 4 13 18 +M V30 18 4 18 19 +M V30 19 4 19 10 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 11.0161 -19.6388 0.0 0 +M V30 2 C 11.8825 -19.1396 0.0 0 +M V30 3 C 12.7481 -19.6402 0.0 0 +M V30 4 C 13.6145 -19.1408 0.0 0 +M V30 5 F 14.4801 -19.6416 0.0 0 +M V30 6 C 13.6153 -18.1407 0.0 0 +M V30 7 Br 14.4817 -17.6415 0.0 0 +M V30 8 C 12.7497 -17.6401 0.0 0 +M V30 9 C 11.8833 -18.1395 0.0 0 +M V30 10 F 11.0177 -17.6387 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 12345 789 abcd EFGH ~!@#$% &*- diff --git a/ketcher-autotests/tests/test-data/RDF-V3000/ket-cascade-reactions-name-conditions-v3000.rdf b/ketcher-autotests/tests/test-data/RDF-V3000/ket-cascade-reactions-name-conditions-v3000.rdf new file mode 100644 index 0000000000..f81090fd3f --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V3000/ket-cascade-reactions-name-conditions-v3000.rdf @@ -0,0 +1,521 @@ +$RDFILE 1 +$DATM 12/17/24 13:15 +$RFMT +$RXN V3000 + + -INDIGO- 1217241315 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 2 1 0 0 0 +M V30 BEGIN ATOM +M V30 1 C -7.10584 -10.5536 0.0 0 +M V30 2 C -6.23982 -10.0536 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 1 2 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 3.24874 -9.80361 0.0 0 +M V30 2 C 3.24874 -10.8036 0.0 0 +M V30 3 C 4.11482 -11.3036 0.0 0 +M V30 4 C 4.98081 -10.8036 0.0 0 +M V30 5 C 4.98081 -9.80361 0.0 0 +M V30 6 C 4.11482 -9.30362 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 6 1 +M V30 2 1 1 2 +M V30 3 1 2 3 +M V30 4 1 3 4 +M V30 5 1 4 5 +M V30 6 1 5 6 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 123456789012345678901234567890 +ABCDefghijklmnopqrstuvwxyzabcd +EFGHIJKLMNOPQRSTUVWXYZabcdefgh +123456789012345678901234567890 +123456789012345678901234567890 +ABCDefghijklmnopqrstuvwxyzabcd +EFGHIJKLMNOPQRSTUVWXYZabcdefgh +123456789012345678901234567890 +ABCDefghijklmnopqrstuvwxyza... +$RFMT +$RXN V3000 + + -INDIGO- 1217241315 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 7 7 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 23.9725 0.16811 0.0 0 +M V30 2 C 24.7564 0.785715 0.0 0 +M V30 3 C 25.7294 0.563113 0.0 0 +M V30 4 C 26.1635 -0.332694 0.0 0 +M V30 5 C 23.978 -0.839098 0.0 0 +M V30 6 C 25.7301 -1.2397 0.0 0 +M V30 7 C 24.7564 -1.4623 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 2 1 +M V30 2 1 1 5 +M V30 3 1 5 7 +M V30 4 1 7 6 +M V30 5 1 6 4 +M V30 6 1 4 3 +M V30 7 1 3 2 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 8 8 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 34.719 -0.839628 0.0 0 +M V30 2 C 34.7192 0.162939 0.0 0 +M V30 3 C 35.4243 0.868216 0.0 0 +M V30 4 C 35.4245 -1.5449 0.0 0 +M V30 5 C 36.4269 -1.5449 0.0 0 +M V30 6 C 37.1324 -0.839628 0.0 0 +M V30 7 C 37.1323 0.162939 0.0 0 +M V30 8 C 36.4269 0.868316 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 2 1 +M V30 2 1 1 4 +M V30 3 1 4 5 +M V30 4 1 5 6 +M V30 5 1 6 7 +M V30 6 1 7 8 +M V30 7 1 8 3 +M V30 8 1 3 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 1234567890 1234567890 +abcde FGHIJKLMNOP +~!@#$%^&*()_-+=? \/"'`:; +WWWWWWWW WWW +123456789012345678901234567890 +$DTYPE Reaction Conditions +$DATUM 1234567890 1234567890 +abcde FGHIJKLMNOP +~!@#$%^&*()_-+=? \/"'`:;... +$RFMT +$RXN V3000 + + -INDIGO- 1217241315 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 11.7735 -22.2396 0.0 0 +M V30 2 C 12.6399 -21.7404 0.0 0 +M V30 3 C 13.5055 -22.241 0.0 0 +M V30 4 C 14.3719 -21.7416 0.0 0 +M V30 5 F 15.2375 -22.2424 0.0 0 +M V30 6 C 14.3727 -20.7415 0.0 0 +M V30 7 Br 15.2391 -20.2423 0.0 0 +M V30 8 C 13.5071 -20.2409 0.0 0 +M V30 9 C 12.6407 -20.7403 0.0 0 +M V30 10 F 11.7751 -20.2395 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 4 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 26.3929 -20.9919 0.0 0 +M V30 2 C 25.5266 -21.4914 0.0 0 +M V30 3 C 24.661 -20.9905 0.0 0 +M V30 4 Cl 23.7947 -21.4899 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$RFMT +$RXN V3000 + + -INDIGO- 1217241315 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 5 5 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 4.11477 -2.49864 0.0 0 +M V30 2 C 4.92378 -3.08635 0.0 0 +M V30 3 C 4.61478 -4.03746 0.0 0 +M V30 4 C 3.61477 -4.03746 0.0 0 +M V30 5 C 3.30577 -3.08635 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 5 +M V30 2 1 5 4 +M V30 3 1 4 3 +M V30 4 1 3 2 +M V30 5 1 2 1 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 3.24874 -9.80361 0.0 0 +M V30 2 C 3.24874 -10.8036 0.0 0 +M V30 3 C 4.11482 -11.3036 0.0 0 +M V30 4 C 4.98081 -10.8036 0.0 0 +M V30 5 C 4.98081 -9.80361 0.0 0 +M V30 6 C 4.11482 -9.30362 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 6 1 +M V30 2 1 1 2 +M V30 3 1 2 3 +M V30 4 1 3 4 +M V30 5 1 4 5 +M V30 6 1 5 6 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 4 4 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 15.4169 -7.28334 0.0 0 +M V30 2 C 15.4132 -6.28831 0.0 0 +M V30 3 C 14.4049 -7.27034 0.0 0 +M V30 4 C 14.4024 -6.28831 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 4 +M V30 3 1 4 3 +M V30 4 1 3 1 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 +4567890 12345 +67890abcdefghijklmnopqrstuvwxy +ABCDEFG +HIJKLMNOPQRSTUVWXYZ1234 567890 +~!@#$%^&*() _-+=?.,{}[]|\/"'`: +;<>abc +$DTYPE Reaction Conditions +$DATUM defghi... +$RFMT +$RXN V3000 + + -INDIGO- 1217241315 + +M V30 COUNTS 3 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 5 4 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 5.84682 10.4943 0.0 0 +M V30 2 C 4.98072 9.99428 0.0 0 +M V30 3 C 4.11472 10.4943 0.0 0 +M V30 4 C 3.24872 9.99428 0.0 0 +M V30 5 C 2.38272 10.4943 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 2 1 +M V30 2 2 3 2 +M V30 3 1 4 3 +M V30 4 1 5 4 +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 C 3.24963 6.74418 0.0 0 +M V30 2 C 4.97992 6.74458 0.0 0 +M V30 3 C 4.11642 7.24428 0.0 0 +M V30 4 C 4.97992 5.74369 0.0 0 +M V30 5 C 3.24963 5.73919 0.0 0 +M V30 6 C 4.11852 5.24419 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 4.11492 2.74419 0.0 0 +M V30 2 C 4.61522 1.20421 0.0 0 +M V30 3 C 4.92452 2.1504 0.0 0 +M V30 4 C 3.61443 1.20421 0.0 0 +M V30 5 C 3.30503 2.1504 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 REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 3 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 14.409 5.67679 0.0 0 +M V30 2 C 15.4103 5.67679 0.0 0 +M V30 3 C 14.9097 6.54169 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 END +$DTYPE Name +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +$DTYPE Reaction Conditions +$DATUM 12345 789 abcd EFGH ~!@#$% &*- +$RFMT +$RXN V3000 + + -INDIGO- 1217241315 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 3 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 14.409 5.67679 0.0 0 +M V30 2 C 15.4103 5.67679 0.0 0 +M V30 3 C 14.9097 6.54169 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 BEGIN CTAB +M V30 COUNTS 4 4 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 15.4169 -7.28334 0.0 0 +M V30 2 C 15.4132 -6.28831 0.0 0 +M V30 3 C 14.4049 -7.27034 0.0 0 +M V30 4 C 14.4024 -6.28831 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 4 +M V30 3 1 4 3 +M V30 4 1 3 1 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 7 7 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 23.9725 0.16811 0.0 0 +M V30 2 C 24.7564 0.785715 0.0 0 +M V30 3 C 25.7294 0.563113 0.0 0 +M V30 4 C 26.1635 -0.332694 0.0 0 +M V30 5 C 23.978 -0.839098 0.0 0 +M V30 6 C 25.7301 -1.2397 0.0 0 +M V30 7 C 24.7564 -1.4623 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 2 1 +M V30 2 1 1 5 +M V30 3 1 5 7 +M V30 4 1 7 6 +M V30 5 1 6 4 +M V30 6 1 4 3 +M V30 7 1 3 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 +4567890 12345 +67890abcdefghijklmnopqrstuvwxy +ABCDEFGHIJKLMNOPQRSTUVWXYZ1234 +567890 +abcdefghijklmnopqrstuvwxyabcde +fghi +$DTYPE Reaction Conditions +$DATUM ABCDE FGHIJKLMNOPQRSTUVWXYZ123 +4567890 12345 +67890abcdefghijklmnopqrstuvwxy +ABCDEFGHIJKLMNOPQRSTUVWXYZ1234 +567890 +abcdefghijklmnopqrstuvwxyabcde +fghi +$RFMT +$RXN V3000 + + -INDIGO- 1217241315 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 16 16 0 0 0 +M V30 BEGIN ATOM +M V30 1 N -5.01105 -14.3683 0.0 0 +M V30 2 C -4.14466 -14.8675 0.0 0 +M V30 3 O -3.27896 -14.3669 0.0 0 +M V30 4 C -4.14386 -15.8676 0.0 0 +M V30 5 C -3.27756 -16.367 0.0 0 +M V30 6 C -3.27676 -17.367 0.0 0 +M V30 7 C -2.41037 -17.8662 0.0 0 +M V30 8 C -1.54458 -17.3656 0.0 0 +M V30 9 O -0.678287 -17.865 0.0 0 +M V30 10 C -0.677487 -18.8651 0.0 0 +M V30 11 C 0.188905 -19.3643 0.0 0 +M V30 12 O 1.0545 -18.8637 0.0 0 +M V30 13 C 0.189705 -20.3643 0.0 0 +M V30 14 Cl 1.0562 -20.8637 0.0 0 +M V30 15 C -1.54538 -16.3656 0.0 0 +M V30 16 C -2.41177 -15.8664 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 2 2 3 +M V30 3 1 2 4 +M V30 4 1 4 5 +M V30 5 4 5 6 +M V30 6 4 6 7 +M V30 7 4 7 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 1 10 11 +M V30 11 1 11 12 +M V30 12 1 11 13 +M V30 13 1 13 14 +M V30 14 4 8 15 +M V30 15 4 15 16 +M V30 16 4 16 5 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 19 19 0 0 0 +M V30 BEGIN ATOM +M V30 1 C -7.17283 -24.361 0.0 0 +M V30 2 C -6.30722 -24.8617 0.0 0 +M V30 3 C -6.30802 -25.8617 0.0 0 +M V30 4 N -5.44081 -24.3624 0.0 0 +M V30 5 C -4.5751 -24.863 0.0 0 +M V30 6 C -3.70869 -24.3638 0.0 0 +M V30 7 O -3.70789 -23.3637 0.0 0 +M V30 8 C -2.84308 -24.8645 0.0 0 +M V30 9 O -1.97668 -24.3652 0.0 0 +M V30 10 C -1.11097 -24.8658 0.0 0 +M V30 11 C -1.11177 -25.8659 0.0 0 +M V30 12 C -0.246057 -26.3665 0.0 0 +M V30 13 C 0.620352 -25.8673 0.0 0 +M V30 14 C 1.48596 -26.3679 0.0 0 +M V30 15 C 2.35237 -25.8687 0.0 0 +M V30 16 N 3.21798 -26.3693 0.0 0 +M V30 17 O 2.35317 -24.8686 0.0 0 +M V30 18 C 0.621152 -24.8673 0.0 0 +M V30 19 C -0.244457 -24.3666 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 2 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 1 6 7 +M V30 7 1 6 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 4 10 11 +M V30 11 4 11 12 +M V30 12 4 12 13 +M V30 13 1 13 14 +M V30 14 1 14 15 +M V30 15 1 15 16 +M V30 16 2 15 17 +M V30 17 4 13 18 +M V30 18 4 18 19 +M V30 19 4 19 10 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 11.7735 -22.2396 0.0 0 +M V30 2 C 12.6399 -21.7404 0.0 0 +M V30 3 C 13.5055 -22.241 0.0 0 +M V30 4 C 14.3719 -21.7416 0.0 0 +M V30 5 F 15.2375 -22.2424 0.0 0 +M V30 6 C 14.3727 -20.7415 0.0 0 +M V30 7 Br 15.2391 -20.2423 0.0 0 +M V30 8 C 13.5071 -20.2409 0.0 0 +M V30 9 C 12.6407 -20.7403 0.0 0 +M V30 10 F 11.7751 -20.2395 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 12345 789 abcd EFGH ~!@#$% &*- diff --git a/ketcher-autotests/tests/test-data/RDF-V3000/ket-single-reaction-2-1-1-no-text-expected.rdf b/ketcher-autotests/tests/test-data/RDF-V3000/ket-single-reaction-2-1-1-no-text-expected.rdf new file mode 100644 index 0000000000..c314f2d5f4 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V3000/ket-single-reaction-2-1-1-no-text-expected.rdf @@ -0,0 +1,119 @@ +$RDFILE 1 +$DATM 12/18/24 13:42 +$RFMT +$RXN V3000 + + -INDIGO- 1218241342 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 13.7468 -7.65249 0.0 0 +M V30 2 C 13.7468 -8.6525 0.0 0 +M V30 3 C 14.6128 -9.15251 0.0 0 +M V30 4 C 15.4789 -8.6525 0.0 0 +M V30 5 C 15.4789 -7.65249 0.0 0 +M V30 6 C 14.6128 -7.15248 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 6 1 +M V30 2 1 1 2 +M V30 3 1 2 3 +M V30 4 1 3 4 +M V30 5 1 4 5 +M V30 6 1 5 6 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 5 5 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 20.3878 -7.13305 0.0 0 +M V30 2 C 21.1968 -7.72085 0.0 0 +M V30 3 C 20.8878 -8.67193 0.0 0 +M V30 4 C 19.8878 -8.67193 0.0 0 +M V30 5 C 19.5789 -7.72085 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 5 +M V30 2 1 5 4 +M V30 3 1 4 3 +M V30 4 1 3 2 +M V30 5 1 2 1 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM abcde FGHIJKLMNOP!@##$%^^^&* +$RFMT +$RXN V3000 + + -INDIGO- 1218241342 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 8.37269 -6.40257 0.0 0 +M V30 2 C 10.103 -6.40208 0.0 0 +M V30 3 C 9.23948 -5.90246 0.0 0 +M V30 4 C 10.103 -7.40303 0.0 0 +M V30 5 C 8.37269 -7.40751 0.0 0 +M V30 6 C 9.24166 -7.90253 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 9.01289 -8.55745 0.0 0 +M V30 2 C 9.51328 -10.0975 0.0 0 +M V30 3 C 9.82252 -9.15131 0.0 0 +M V30 4 C 8.51251 -10.0975 0.0 0 +M V30 5 C 8.20317 -9.15131 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 REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 6 6 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 13.7468 -7.65249 0.0 0 +M V30 2 C 13.7468 -8.6525 0.0 0 +M V30 3 C 14.6128 -9.15251 0.0 0 +M V30 4 C 15.4789 -8.6525 0.0 0 +M V30 5 C 15.4789 -7.65249 0.0 0 +M V30 6 C 14.6128 -7.15248 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 6 1 +M V30 2 1 1 2 +M V30 3 1 2 3 +M V30 4 1 3 4 +M V30 5 1 4 5 +M V30 6 1 5 6 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM abcde FGHIJKLMNOP!@##$%^^^&* diff --git a/ketcher-autotests/tests/test-data/RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-expected1.rdf b/ketcher-autotests/tests/test-data/RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-expected1.rdf index 000a59993b..2e4e0c5ac7 100644 --- a/ketcher-autotests/tests/test-data/RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-expected1.rdf +++ b/ketcher-autotests/tests/test-data/RDF-V3000/rdf-rxn-v3000-cascade-reaction-2-1-1-expected1.rdf @@ -1,9 +1,9 @@ $RDFILE 1 -$DATM 12/02/24 18:59 +$DATM 12/18/24 13:39 $RFMT $RXN V3000 - -INDIGO- 1202241859 + -INDIGO- 1218241339 M V30 COUNTS 3 2 M V30 BEGIN REACTANT diff --git a/ketcher-autotests/tests/test-data/RDF-V3000/rdf-v3000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf b/ketcher-autotests/tests/test-data/RDF-V3000/rdf-v3000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf new file mode 100644 index 0000000000..bc72943f73 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V3000/rdf-v3000-cascade-reaction-2-1-1-auto-wrap-9-lines-and-truncated.rdf @@ -0,0 +1,184 @@ +$RDFILE 1 +$DATM 10/08/24 16:11 +$RFMT +$RXN V3000 + + -INDIGO- 0913241840 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 16 16 0 0 0 +M V30 BEGIN ATOM +M V30 1 N -3.12721 -3.12798 0.0 0 +M V30 2 C -2.26078 -3.6272 0.0 0 +M V30 3 O -1.39515 -3.12658 0.0 0 +M V30 4 C -2.25998 -4.62723 0.0 0 +M V30 5 C -1.39374 -5.12665 0.0 0 +M V30 6 C -1.39295 -6.12669 0.0 0 +M V30 7 C -0.526512 -6.62591 0.0 0 +M V30 8 C 0.33932 -6.12529 0.0 0 +M V30 9 O 1.20555 -6.62471 0.0 0 +M V30 10 C 1.20635 -7.62475 0.0 0 +M V30 11 C 2.07278 -8.12397 0.0 0 +M V30 12 O 2.93842 -7.62335 0.0 0 +M V30 13 C 2.07359 -9.124 0.0 0 +M V30 14 Cl 2.94002 -9.62342 0.0 0 +M V30 15 C 0.338519 -5.12525 0.0 0 +M V30 16 C -0.527912 -4.62603 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 2 2 3 +M V30 3 1 2 4 +M V30 4 1 4 5 +M V30 5 4 5 6 +M V30 6 4 6 7 +M V30 7 4 7 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 1 10 11 +M V30 11 1 11 12 +M V30 12 1 11 13 +M V30 13 1 13 14 +M V30 14 4 8 15 +M V30 15 4 15 16 +M V30 16 4 16 5 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 19 19 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 10.5533 -5.30659 0.0 0 +M V30 2 C 11.419 -5.80721 0.0 0 +M V30 3 C 11.4182 -6.80725 0.0 0 +M V30 4 N 12.2854 -5.30799 0.0 0 +M V30 5 C 13.1511 -5.80861 0.0 0 +M V30 6 C 14.0175 -5.30939 0.0 0 +M V30 7 O 14.0183 -4.30936 0.0 0 +M V30 8 C 14.8831 -5.81001 0.0 0 +M V30 9 O 15.7495 -5.31079 0.0 0 +M V30 10 C 16.6152 -5.81141 0.0 0 +M V30 11 C 16.6144 -6.81145 0.0 0 +M V30 12 C 17.48 -7.31207 0.0 0 +M V30 13 C 18.3464 -6.81285 0.0 0 +M V30 14 C 19.2121 -7.31347 0.0 0 +M V30 15 C 20.0785 -6.81425 0.0 0 +M V30 16 N 20.9441 -7.31487 0.0 0 +M V30 17 O 20.0793 -5.81421 0.0 0 +M V30 18 C 18.3472 -5.81281 0.0 0 +M V30 19 C 17.4816 -5.31219 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 2 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 1 6 7 +M V30 7 1 6 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 4 10 11 +M V30 11 4 11 12 +M V30 12 4 12 13 +M V30 13 1 13 14 +M V30 14 1 14 15 +M V30 15 1 15 16 +M V30 16 2 15 17 +M V30 17 4 13 18 +M V30 18 4 18 19 +M V30 19 4 19 10 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 33.824 -6.93497 0.0 0 +M V30 2 C 34.6904 -6.43576 0.0 0 +M V30 3 C 35.5561 -6.93637 0.0 0 +M V30 4 C 36.4225 -6.43695 0.0 0 +M V30 5 F 37.2881 -6.93777 0.0 0 +M V30 6 C 36.4233 -5.43692 0.0 0 +M V30 7 Br 37.2897 -4.93771 0.0 0 +M V30 8 C 35.5577 -4.93631 0.0 0 +M V30 9 C 34.6912 -5.43572 0.0 0 +M V30 10 F 33.8256 -4.9349 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$RFMT +$RXN V3000 + + -INDIGO- 0913241840 + +M V30 COUNTS 1 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 14.3332 -9.27986 0.0 0 +M V30 2 C 15.1996 -8.78065 0.0 0 +M V30 3 C 16.0652 -9.28126 0.0 0 +M V30 4 C 16.9316 -8.78185 0.0 0 +M V30 5 F 17.7972 -9.28266 0.0 0 +M V30 6 C 16.9324 -7.78185 0.0 0 +M V30 7 Br 17.7988 -7.28264 0.0 0 +M V30 8 C 16.0668 -7.28124 0.0 0 +M V30 9 C 15.2004 -7.78065 0.0 0 +M V30 10 F 14.3348 -7.27984 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 4 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 24.7668 -8.00752 0.0 0 +M V30 2 C 23.9004 -8.50692 0.0 0 +M V30 3 C 23.0348 -8.00612 0.0 0 +M V30 4 Cl 22.1684 -8.50552 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/RDF-V3000/rdf-v3000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf b/ketcher-autotests/tests/test-data/RDF-V3000/rdf-v3000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf new file mode 100644 index 0000000000..f6617742b3 --- /dev/null +++ b/ketcher-autotests/tests/test-data/RDF-V3000/rdf-v3000-cascade-reaction-2-1-2-1-auto-wrap-9-lines-and-truncated.rdf @@ -0,0 +1,210 @@ +$RDFILE +$RXN V3000 + + -INDIGO- 0917241416 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 16 16 0 0 0 +M V30 BEGIN ATOM +M V30 1 N -2.53707 -1.85789 0.0 0 +M V30 2 C -1.67063 -2.35711 0.0 0 +M V30 3 O -0.805003 -1.85649 0.0 0 +M V30 4 C -1.66983 -3.35714 0.0 0 +M V30 5 C -0.803599 -3.85656 0.0 0 +M V30 6 C -0.802802 -4.8566 0.0 0 +M V30 7 C 0.0636327 -5.35582 0.0 0 +M V30 8 C 0.929465 -4.8552 0.0 0 +M V30 9 O 1.7957 -5.35462 0.0 0 +M V30 10 C 1.7965 -6.35466 0.0 0 +M V30 11 C 2.66293 -6.85388 0.0 0 +M V30 12 O 3.52856 -6.35326 0.0 0 +M V30 13 C 2.66373 -7.85392 0.0 0 +M V30 14 Cl 3.53016 -8.35333 0.0 0 +M V30 15 C 0.928663 -3.85516 0.0 0 +M V30 16 C 0.0622327 -3.35594 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 2 2 3 +M V30 3 1 2 4 +M V30 4 1 4 5 +M V30 5 4 5 6 +M V30 6 4 6 7 +M V30 7 4 7 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 1 10 11 +M V30 11 1 11 12 +M V30 12 1 11 13 +M V30 13 1 13 14 +M V30 14 4 8 15 +M V30 15 4 15 16 +M V30 16 4 16 5 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 19 19 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 11.1435 -4.03651 0.0 0 +M V30 2 C 12.0091 -4.53712 0.0 0 +M V30 3 C 12.0083 -5.53716 0.0 0 +M V30 4 N 12.8756 -4.03791 0.0 0 +M V30 5 C 13.7412 -4.53852 0.0 0 +M V30 6 C 14.6076 -4.03931 0.0 0 +M V30 7 O 14.6084 -3.03927 0.0 0 +M V30 8 C 15.4733 -4.53992 0.0 0 +M V30 9 O 16.3397 -4.04071 0.0 0 +M V30 10 C 17.2053 -4.54132 0.0 0 +M V30 11 C 17.2045 -5.54136 0.0 0 +M V30 12 C 18.0702 -6.04198 0.0 0 +M V30 13 C 18.9366 -5.54276 0.0 0 +M V30 14 C 19.8022 -6.04338 0.0 0 +M V30 15 C 20.6687 -5.54416 0.0 0 +M V30 16 N 21.5343 -6.04478 0.0 0 +M V30 17 O 20.6695 -4.54412 0.0 0 +M V30 18 C 18.9374 -4.54272 0.0 0 +M V30 19 C 18.0718 -4.04211 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 2 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 1 6 7 +M V30 7 1 6 8 +M V30 8 1 8 9 +M V30 9 1 9 10 +M V30 10 4 10 11 +M V30 11 4 11 12 +M V30 12 4 12 13 +M V30 13 1 13 14 +M V30 14 1 14 15 +M V30 15 1 15 16 +M V30 16 2 15 17 +M V30 17 4 13 18 +M V30 18 4 18 19 +M V30 19 4 19 10 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 34.4141 -5.66488 0.0 0 +M V30 2 C 35.2806 -5.16567 0.0 0 +M V30 3 C 36.1462 -5.66628 0.0 0 +M V30 4 C 37.0126 -5.16687 0.0 0 +M V30 5 F 37.8783 -5.66768 0.0 0 +M V30 6 C 37.0134 -4.16683 0.0 0 +M V30 7 Br 37.8799 -3.66762 0.0 0 +M V30 8 C 36.1478 -3.66622 0.0 0 +M V30 9 C 35.2814 -4.16563 0.0 0 +M V30 10 F 34.4157 -3.66482 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 +$RFMT +$RXN V3000 + + -INDIGO- 0917241417 + +M V30 COUNTS 2 1 +M V30 BEGIN REACTANT +M V30 BEGIN CTAB +M V30 COUNTS 10 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 F 1.94432 -6.03915 0.0 0 +M V30 2 C 2.81073 -5.53995 0.0 0 +M V30 3 C 3.67634 -6.04055 0.0 0 +M V30 4 C 4.54275 -5.54115 0.0 0 +M V30 5 F 5.40836 -6.04195 0.0 0 +M V30 6 C 4.54355 -4.54113 0.0 0 +M V30 7 Br 5.40996 -4.04193 0.0 0 +M V30 8 C 3.67794 -4.04053 0.0 0 +M V30 9 C 2.81153 -4.53993 0.0 0 +M V30 10 F 1.94592 -4.03913 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 4 2 3 +M V30 3 4 3 4 +M V30 4 1 4 5 +M V30 5 4 4 6 +M V30 6 1 6 7 +M V30 7 4 6 8 +M V30 8 4 8 9 +M V30 9 1 9 10 +M V30 10 4 9 2 +M V30 END BOND +M V30 END CTAB +M V30 BEGIN CTAB +M V30 COUNTS 4 3 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 11.5849 -4.91381 0.0 0 +M V30 2 C 10.7185 -5.4132 0.0 0 +M V30 3 C 9.85288 -4.91241 0.0 0 +M V30 4 Cl 8.98649 -5.4118 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 2 1 2 +M V30 2 1 2 3 +M V30 3 1 3 4 +M V30 END BOND +M V30 END CTAB +M V30 END REACTANT +M V30 BEGIN PRODUCT +M V30 BEGIN CTAB +M V30 COUNTS 11 10 0 0 0 +M V30 BEGIN ATOM +M V30 1 C 26.7715 -2.87476 0.0 0 +M V30 2 N 27.6448 -3.60302 0.0 0 +M V30 3 C 28.4917 -2.88366 0.0 0 +M V30 4 P 27.6248 -4.44662 0.0 0 +M V30 5 O 27.6248 -5.45632 0.0 0 +M V30 6 N 28.6208 -4.42562 0.0 0 +M V30 7 C 29.2777 -5.0513 0.0 0 +M V30 8 C 29.3467 -3.60944 0.0 0 +M V30 9 N 26.6609 -4.4305 0.0 0 +M V30 10 C 26.1536 -5.31931 0.0 0 +M V30 11 C 25.9324 -3.87677 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 1 2 3 +M V30 3 1 2 4 +M V30 4 2 4 5 +M V30 5 1 4 6 +M V30 6 1 6 7 +M V30 7 1 6 8 +M V30 8 1 4 9 +M V30 9 1 9 10 +M V30 10 1 9 11 +M V30 END BOND +M V30 END CTAB +M V30 END PRODUCT +M END +$DTYPE Name +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcd +$DTYPE Reaction Conditions +$DATUM 123456789012345678901234567890ABCDefghijklmnopqrstuvwxyzabcdEFGHIJKLMNOPQRSTUVWXYZabcdefgh123456789012345678901234567890 \ No newline at end of file diff --git a/ketcher-autotests/tests/utils/canvas/helpers.ts b/ketcher-autotests/tests/utils/canvas/helpers.ts index 691899d773..a632292fb8 100644 --- a/ketcher-autotests/tests/utils/canvas/helpers.ts +++ b/ketcher-autotests/tests/utils/canvas/helpers.ts @@ -23,12 +23,14 @@ import { selectRing, waitForSpinnerFinishedWork, getControlModifier, + TopPanelButton, } from '..'; import { waitForRender } from '@utils/common'; import { openSettings, selectAtomInToolbar, selectRectangleSelectionTool, + selectTopPanelButton, } from './tools'; import { getLeftTopBarSize } from './common/getLeftTopBarSize'; @@ -502,3 +504,17 @@ export async function selectRedoByKeyboard( export async function copyToClipboardByIcon(page: Page) { await page.getByTestId('copy-to-clipboard').click(); } + +export async function selectAromatizeTool(page: Page) { + await waitForSpinnerFinishedWork( + page, + async () => await selectTopPanelButton(TopPanelButton.Aromatize, page), + ); +} + +export async function selectDearomatizeTool(page: Page) { + await waitForSpinnerFinishedWork( + page, + async () => await selectTopPanelButton(TopPanelButton.Dearomatize, page), + ); +} diff --git a/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts b/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts index ec1df18a06..212ec94435 100644 --- a/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts +++ b/ketcher-autotests/tests/utils/files/receiveFileComparisonData.ts @@ -126,11 +126,11 @@ const GetFileMethod: Record = { cdxml: 'getCDXml' as keyof Ketcher, cml: 'getCml', inchi: 'getInchi', - sdf: 'getSdf', - fasta: 'getFasta', - seq: 'getSequence', - idt: 'getIdt', - rdf: 'getRdf', + sdf: 'getSdf' as keyof Ketcher, + fasta: 'getFasta' as keyof Ketcher, + seq: 'getSequence' as keyof Ketcher, + idt: 'getIdt' as keyof Ketcher, + rdf: 'getRdf' as keyof Ketcher, } as const; type KetcherApiFunction = (format?: string) => Promise; diff --git a/ketcher-autotests/tests/utils/macromolecules/polymerBond.ts b/ketcher-autotests/tests/utils/macromolecules/polymerBond.ts index a002f92de6..c60fd4e309 100644 --- a/ketcher-autotests/tests/utils/macromolecules/polymerBond.ts +++ b/ketcher-autotests/tests/utils/macromolecules/polymerBond.ts @@ -2,7 +2,6 @@ import { Locator, Page } from '@playwright/test'; import { hideMonomerPreview } from '@utils/macromolecules/index'; import { clickOnCanvas, moveMouseAway, selectMacroBond } from '..'; -import { DropdownToolIds } from '@utils/clicks/types'; import { MacroBondTool } from '@utils/canvas/tools/selectNestedTool/types'; export async function bondTwoMonomers( @@ -11,13 +10,14 @@ export async function bondTwoMonomers( secondMonomerElement: Locator, connectTitle1?: string, connectTitle2?: string, + bondType: (typeof MacroBondTool)[keyof typeof MacroBondTool] = MacroBondTool.SINGLE, needSelectAttachmentPoint = true, needConnect = true, ) { - await selectMacroBond(page, MacroBondTool.SINGLE); - await firstMonomerElement.hover(); + await selectMacroBond(page, bondType); + await firstMonomerElement.hover({ force: true }); await page.mouse.down(); - await secondMonomerElement.hover(); + await secondMonomerElement.hover({ force: true }); await page.mouse.up(); await hideMonomerPreview(page); const dialog = page.getByRole('dialog'); @@ -40,7 +40,7 @@ export async function bondTwoMonomersPointToPoint( secondMonomerElement: Locator, firstMonomerConnectionPoint?: string, secondMonomerConnectionPoint?: string, - bondType?: DropdownToolIds, + bondType?: (typeof MacroBondTool)[keyof typeof MacroBondTool], ) { await selectMacroBond(page, bondType); await firstMonomerElement.hover({ force: true }); diff --git a/ketcher-autotests/tests/utils/selectors/addTextBoxToCanvas.ts b/ketcher-autotests/tests/utils/selectors/addTextBoxToCanvas.ts index 1b52b7f8ff..40d4f4ba7e 100644 --- a/ketcher-autotests/tests/utils/selectors/addTextBoxToCanvas.ts +++ b/ketcher-autotests/tests/utils/selectors/addTextBoxToCanvas.ts @@ -6,3 +6,20 @@ export async function addTextBoxToCanvas(page: Page) { await clickInTheMiddleOfTheScreen(page); await page.getByRole('dialog').getByRole('textbox').click(); } + +export async function addTextToCanvas( + page: Page, + text: string, + x?: number, + y?: number, +) { + await page.getByTestId('text').click(); + if (x !== undefined && y !== undefined) { + await page.mouse.click(x, y); + } else { + await clickInTheMiddleOfTheScreen(page); + } + const textBox = page.getByRole('dialog').getByRole('textbox'); + await textBox.click(); + await textBox.fill(text); +} diff --git a/ketcher-autotests/tests/utils/types.ts b/ketcher-autotests/tests/utils/types.ts index d67907a409..b266af53c0 100644 --- a/ketcher-autotests/tests/utils/types.ts +++ b/ketcher-autotests/tests/utils/types.ts @@ -12,3 +12,8 @@ export enum MonomerType { CHEM = 'CHEM', UnknownMonomer = 'CHEM', } + +export enum MacroBondType { + Single = 'covalent', + Hydrogen = 'hydrogen', +}