diff --git a/ketcher-autotests/tests/Macromolecule-editor/Ambiguous-Monomers/ambiguous-monomer-attachment-points.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Ambiguous-Monomers/ambiguous-monomer-attachment-points.spec.ts new file mode 100644 index 0000000000..8efb9d18f7 --- /dev/null +++ b/ketcher-autotests/tests/Macromolecule-editor/Ambiguous-Monomers/ambiguous-monomer-attachment-points.spec.ts @@ -0,0 +1,369 @@ +/* eslint-disable no-magic-numbers */ +import { + chooseFileFormat, + turnOnMacromoleculesEditor, + zoomWithMouseWheel, +} from '@utils/macromolecules'; +import { Page, test, BrowserContext, chromium } from '@playwright/test'; +import { + takeEditorScreenshot, + waitForIndigoToLoad, + waitForKetcherInit, + openStructurePasteFromClipboard, + waitForSpinnerFinishedWork, + selectClearCanvasTool, + selectSingleBondTool, +} from '@utils'; +import { pageReload } from '@utils/common/helpers'; + +let page: Page; +let sharedContext: BrowserContext; + +test.beforeAll(async ({ browser }) => { + try { + sharedContext = await browser.newContext(); + } catch (error) { + console.error('Error on creation browser context:', error); + console.log('Restarting browser...'); + await browser.close(); + browser = await chromium.launch(); + sharedContext = await browser.newContext(); + } + + // Reminder: do not pass page as async + page = await sharedContext.newPage(); + + await page.goto('', { waitUntil: 'domcontentloaded' }); + await waitForKetcherInit(page); + await waitForIndigoToLoad(page); + await turnOnMacromoleculesEditor(page); +}); + +test.afterEach(async () => { + await page.keyboard.press('Escape'); + await page.keyboard.press('Escape'); + // await page.keyboard.press('Control+0'); + await selectClearCanvasTool(page); + // await page.keyboard.press('Control+0'); +}); + +test.afterAll(async ({ browser }) => { + await page.close(); + await sharedContext.close(); + browser.contexts().forEach((someContext) => { + someContext.close(); + }); +}); + +async function loadHELMFromClipboard(page: Page, helmString: string) { + await openStructurePasteFromClipboard(page); + await chooseFileFormat(page, 'HELM'); + await page.getByTestId('open-structure-textarea').fill(helmString); + await waitForSpinnerFinishedWork( + page, + async () => await page.getByTestId('add-to-canvas-button').click(), + ); +} +async function hoverMouseOverMonomer(page: Page, monomerLocatorIndex: number) { + await page.locator('use').nth(monomerLocatorIndex).hover(); +} + +interface IHELMString { + testDescription: string; + HELMString: string; + 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; +} + +const ambiguousMonomers: IHELMString[] = [ + { + testDescription: + '1. Ambiguous alternatives peptide made of peptide(R1) and peptide(R1) should result in peptide(R1)', + HELMString: 'PEPTIDE1{([Pyrro],[Am-])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '2. Ambiguous alternatives peptide made of peptide(R2) and peptide(R2) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([Glc],[Hva])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '3. Ambiguous alternatives peptide made of peptide(R2+R3) and peptide(R2+R3) should result in peptide(R2+R3)', + HELMString: 'PEPTIDE1{([Mpa],[Mba])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '4. Ambiguous alternatives peptide made of peptide(R1+R2) and peptide(R1+R2) should result in peptide(R1+R2)', + HELMString: 'PEPTIDE1{([D-Nle],[2Nal])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '5. Ambiguous alternatives peptide made of peptide(R1+R2+R3) and peptide(R1+R2+R3) should result in peptide(R1+R2+R3)', + HELMString: 'PEPTIDE1{([Aad],[Asu])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '6. Ambiguous alternatives peptide made of peptide(R1) and peptide(R1+R2+R3) should result in peptide(R1)', + HELMString: 'PEPTIDE1{([Pyrro],[Asu])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '7. Ambiguous alternatives peptide made of peptide(R2) and peptide(R1) should result in peptide with no APs', + HELMString: 'PEPTIDE1{([Glc],[Am-])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '8. Ambiguous alternatives peptide made of peptide(R2+R3) and peptide(R2) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([Mpa],[Hva])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '9. Ambiguous alternatives peptide made of peptide(R1+R2) and peptide(R2+R3) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([D-Nle],[Mba])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '10. Ambiguous alternatives peptide made of peptide(R1+R2+R3) and peptide(R1+R2) should result in peptide(R1+R2)', + HELMString: 'PEPTIDE1{([Aad],[2Nal])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '11. Ambiguous alternatives peptide made of peptide(R1) and peptide(R1+R2) should result in peptide(R1)', + HELMString: 'PEPTIDE1{([Pyrro],[2Nal])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '12. Ambiguous alternatives peptide made of peptide(R2) and peptide(R1+R2+R3) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([Glc],[Asu])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '13. Ambiguous alternatives peptide made of peptide(R2+R3) and peptide(R1) should result in peptide with no APs', + HELMString: 'PEPTIDE1{([Mpa],[Am-])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '14. Ambiguous alternatives peptide made of peptide(R1+R2) and peptide(R2) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([D-Nle],[Hva])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '15. Ambiguous alternatives peptide made of peptide(R1+R2+R3) and peptide(R2+R3) should result in peptide(R2+R3)', + HELMString: 'PEPTIDE1{([Aad],[Mba])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '16. Ambiguous mixed peptide made of peptide(R1) and peptide(R1) should result in peptide(R1)', + HELMString: 'PEPTIDE1{([Pyrro]+[Am-])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '17. Ambiguous mixed peptide made of peptide(R2) and peptide(R2) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([Glc]+[Hva])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '18. Ambiguous mixed peptide made of peptide(R2+R3) and peptide(R2+R3) should result in peptide(R2+R3)', + HELMString: 'PEPTIDE1{([Mpa]+[Mba])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '19. Ambiguous mixed peptide made of peptide(R1+R2) and peptide(R1+R2) should result in peptide(R1+R2)', + HELMString: 'PEPTIDE1{([D-Nle]+[2Nal])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '20. Ambiguous mixed peptide made of peptide(R1+R2+R3) and peptide(R1+R2+R3) should result in peptide(R1+R2+R3)', + HELMString: 'PEPTIDE1{([Aad]+[Asu])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '21. Ambiguous mixed peptide made of peptide(R1) and peptide(R1+R2+R3) should result in peptide(R1)', + HELMString: 'PEPTIDE1{([Pyrro]+[Asu])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '22. Ambiguous mixed peptide made of peptide(R2) and peptide(R1) should result in peptide with no APs', + HELMString: 'PEPTIDE1{([Glc]+[Am-])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '23. Ambiguous mixed peptide made of peptide(R2+R3) and peptide(R2) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([Mpa]+[Hva])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '24. Ambiguous mixed peptide made of peptide(R1+R2) and peptide(R2+R3) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([D-Nle]+[Mba])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '25. Ambiguous mixed peptide made of peptide(R1+R2+R3) and peptide(R1+R2) should result in peptide(R1+R2)', + HELMString: 'PEPTIDE1{([Aad]+[2Nal])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '26. Ambiguous mixed peptide made of peptide(R1) and peptide(R1+R2) should result in peptide(R1)', + HELMString: 'PEPTIDE1{([Pyrro]+[2Nal])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '27. Ambiguous mixed peptide made of peptide(R2) and peptide(R1+R2+R3) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([Glc]+[Asu])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '28. Ambiguous mixed peptide made of peptide(R2+R3) and peptide(R1) should result in peptide with no APs', + HELMString: 'PEPTIDE1{([Mpa]+[Am-])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '29. Ambiguous mixed peptide made of peptide(R1+R2) and peptide(R2) should result in peptide(R2)', + HELMString: 'PEPTIDE1{([D-Nle]+[Hva])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '30. Ambiguous mixed peptide made of peptide(R1+R2+R3) and peptide(R2+R3) should result in peptide(R2+R3)', + HELMString: 'PEPTIDE1{([Aad]+[Mba])}$$$V2.0', + monomerLocatorIndex: 0, + }, + { + testDescription: + '31. Ambiguous alternatives base made of base(R1) and base(R1) should result in base(R1)', + HELMString: 'RNA1{R([2imen2],[5meC])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '32. Ambiguous alternatives base made of base(R1+R2) and base(R1+R2) should result in base(R1+R2)', + HELMString: 'RNA1{R([oC64m5],[nC65U])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '33. Ambiguous alternatives base made of base(R1+R2+R3) and base(R1+R2+R3) should result in base(R1+R2+R3)', + HELMString: 'RNA1{R([nC6n5C],[nC6n8A])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '34. Ambiguous alternatives base made of base(R1) and base(R1+R2+R3) should result in base(R1)', + HELMString: 'RNA1{R([2imen2],[nC6n8A])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '35. Ambiguous alternatives base made of base(R1+R2) and base(R1) should result in base(R1)', + HELMString: 'RNA1{R([oC64m5],[5meC])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '36. Ambiguous alternatives base made of base(R1+R2+R3) and base(R1+R2) should result in base(R1+R2)', + HELMString: 'RNA1{R([nC6n5C],[nC65U])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '37. Ambiguous mixed base made of base(R1) and base(R1) should result in base(R1)', + HELMString: 'RNA1{R([2imen2]+[5meC])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '38. Ambiguous mixed base made of base(R1+R2) and base(R1+R2) should result in base(R1+R2)', + HELMString: 'RNA1{R([oC64m5]+[nC65U])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '39. Ambiguous mixed base made of base(R1+R2+R3) and base(R1+R2+R3) should result in base(R1+R2+R3)', + HELMString: 'RNA1{R([nC6n5C]+[nC6n8A])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '40. Ambiguous mixed base made of base(R1) and base(R1+R2+R3) should result in base(R1)', + HELMString: 'RNA1{R([2imen2]+[nC6n8A])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '41. Ambiguous mixed base made of base(R1+R2) and base(R1) should result in base(R1)', + HELMString: 'RNA1{R([oC64m5]+[5meC])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, + { + testDescription: + '42. Ambiguous mixed base made of base(R1+R2+R3) and base(R1+R2) should result in base(R1+R2)', + HELMString: 'RNA1{R([nC6n5C]+[nC65U])P}$$$$V2.0', + monomerLocatorIndex: 1, + }, +]; + +test.describe('Monomer APs checks: ', () => { + for (const ambiguousMonomer of ambiguousMonomers) { + test(`${ambiguousMonomer.testDescription}`, async () => { + /* + Test case1: https://github.com/epam/ketcher/issues/5614 + Description: Verify that the ambiguous monomer has an attachment point Rn only if all the monomers making up that ambiguous monomer have the attachment point Rn. + Case: + 1. Load correct HELM via paste from clipboard way + 2. Turn on Single Bond tool + 3. Hover mouse over monomer + 4. Take screenshot of the canvas to compare it with example + */ + test.setTimeout(25000); + if (ambiguousMonomer.pageReloadNeeded) await pageReload(page); + await zoomWithMouseWheel(page, -600); + + await loadHELMFromClipboard(page, ambiguousMonomer.HELMString); + await selectSingleBondTool(page); + await hoverMouseOverMonomer(page, ambiguousMonomer.monomerLocatorIndex); + await takeEditorScreenshot(page, { + masks: [page.getByTestId('polymer-library-preview')], + }); + + await zoomWithMouseWheel(page, 600); + // Test should be skipped if related bug exists + test.fixme( + ambiguousMonomer.shouldFail === true, + `That test fails because of ${ambiguousMonomer.issueNumber} issue.`, + ); + }); + } +}); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Ambiguous-Monomers/ambiguous-monomer-attachment-points.spec.ts-snapshots/Monomer-APs-checks-1-Ambiguous-alternatives-3ba87--and-petide-R1-should-result-in-peptide-R1-1-chromium-linux.png 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