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#5325 - Change natural analogue of monomers #5619

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merged 12 commits into from
Oct 3, 2024
Merged

#5325 - Change natural analogue of monomers #5619

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02ab839
#5325 - Change natural analogue of monomers
rrodionov91 Oct 1, 2024
2763c83
Locators update
AlexeyGirin Oct 1, 2024
9f49b6f
Failed tests fix
AlexeyGirin Oct 2, 2024
5169e3d
Failed tests fix 2
AlexeyGirin Oct 2, 2024
613b67d
Macro fixes
AlexeyGirin Oct 2, 2024
0452231
Micro fix
AlexeyGirin Oct 2, 2024
580239e
- fixed tests
rrodionov91 Oct 2, 2024
ce7e2e0
my fixes
AlexeyGirin Oct 3, 2024
1b7dae3
Merge branch '5325-change_natural_analogue_of_monomers' of https://gi…
AlexeyGirin Oct 3, 2024
b876ab6
More fixes
AlexeyGirin Oct 3, 2024
8ab6ac6
one more fix
AlexeyGirin Oct 3, 2024
461eea9
- skipped unstable test
rrodionov91 Oct 3, 2024
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Binary file added ...-of-ket--6d250--unresolved-monomers-and-save-in-idt-format-1-chromium-linux.png
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3 changes: 2 additions & 1 deletion ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,7 @@ import {
selectClearCanvasTool,
clickUndo,
dragMouseTo,
Sugars,
} from '@utils';
import { pageReload } from '@utils/common/helpers';
import { turnOnMacromoleculesEditor } from '@utils/macromolecules';
Expand Down Expand Up @@ -196,7 +197,7 @@ test.describe('Import-Saving .ket Files', () => {
test.slow();
await page.getByTestId('RNA-TAB').click();
await page.getByTestId('summary-Sugars').click();
await page.getByTestId('25R___2,5-Ribose').click();
await page.getByTestId(Sugars.TwentyFiveR).click();
await clickInTheMiddleOfTheScreen(page);
const expectedFile = await getKet(page);
await saveToFile('KET/25R-expected.ket', expectedFile);
Expand Down
29 changes: 16 additions & 13 deletions ...er-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher.spec.ts
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Expand Up @@ -59,6 +59,9 @@ import {
selectClearCanvasTool,
waitForIndigoToLoad,
waitForKetcherInit,
Sugars,
Bases,
Phosphates,
} from '@utils';
import {
addSuperatomAttachmentPoint,
Expand Down Expand Up @@ -113,9 +116,9 @@ async function addToFavoritesMonomers(page: Page) {
await page.getByTestId('meM___N-Methyl-Methionine').getByText('★').click();
await page.getByTestId('RNA-TAB').click();
await page.getByTestId('summary-Sugars').click();
await page.getByTestId('25R___2,5-Ribose').getByText('★').click();
await page.getByTestId(Sugars.TwentyFiveR).getByText('★').click();
await page.getByTestId('summary-Bases').click();
await page.getByTestId('baA___N-benzyl-adenine').getByText('★').click();
await page.getByTestId(Bases.baA).getByText('★').click();
await page.getByTestId('summary-Phosphates').click();
await page.getByTestId('bP___Boranophosphate').getByText('★').click();
await page.getByTestId('CHEM-TAB').click();
Expand Down Expand Up @@ -1099,21 +1102,21 @@ test.describe('Macro-Micro-Switcher', () => {
{
description: 'Sugar',
monomer: '25R',
monomerTestId: '25R___2,5-Ribose',
monomerTestId: Sugars.TwentyFiveR,
summaryTestId: 'summary-Sugars',
bondEndpoints: { first: 'R1', second: 'R2' },
},
{
description: 'Base',
monomer: 'meA',
monomerTestId: 'meA___N-Methyl-Adenine',
monomerTestId: Bases.meA,
summaryTestId: 'summary-Bases',
bondEndpoints: { first: 'R1', second: 'R1' },
},
{
description: 'Phosphate',
monomer: 'nasP',
monomerTestId: 'nasP___Sodium Phosporothioate',
monomerTestId: Phosphates.nasP,
summaryTestId: 'summary-Phosphates',
bondEndpoints: { first: 'R1', second: 'R2' },
},
Expand Down Expand Up @@ -1190,14 +1193,14 @@ test.describe('Macro-Micro-Switcher', () => {
{
description: 'Sugar',
monomer: '25R',
monomerTestId: '25R___2,5-Ribose',
monomerTestId: Sugars.TwentyFiveR,
summaryTestId: 'summary-Sugars',
bondEndpoints: { first: 'R1', second: 'R2' },
},
{
description: 'Base',
monomer: 'meA',
monomerTestId: 'meA___N-Methyl-Adenine',
monomerTestId: Bases.meA,
summaryTestId: 'summary-Bases',
bondEndpoints: { first: 'R1', second: 'R1' },
},
Expand Down Expand Up @@ -1283,21 +1286,21 @@ test.describe('Macro-Micro-Switcher', () => {
{
description: 'Sugar',
monomer: '25R',
monomerTestId: '25R___2,5-Ribose',
monomerTestId: Sugars.TwentyFiveR,
summaryTestId: 'summary-Sugars',
bondEndpoints: { first: 'R1', second: 'R2' },
},
{
description: 'Base',
monomer: 'meA',
monomerTestId: 'meA___N-Methyl-Adenine',
monomerTestId: Bases.meA,
summaryTestId: 'summary-Bases',
bondEndpoints: { first: 'R1', second: 'R1' },
},
{
description: 'Phosphate',
monomer: 'nasP',
monomerTestId: 'nasP___Sodium Phosporothioate',
monomerTestId: Phosphates.nasP,
summaryTestId: 'summary-Phosphates',
bondEndpoints: { first: 'R1', second: 'R2' },
},
Expand Down Expand Up @@ -1380,21 +1383,21 @@ test.describe('Macro-Micro-Switcher', () => {
{
description: 'Sugar',
monomer: '25R',
monomerTestId: '25R___2,5-Ribose',
monomerTestId: Sugars.TwentyFiveR,
summaryTestId: 'summary-Sugars',
bondEndpoints: { first: 'R1', second: 'R2' },
},
{
description: 'Base',
monomer: 'meA',
monomerTestId: 'meA___N-Methyl-Adenine',
monomerTestId: Bases.meA,
summaryTestId: 'summary-Bases',
bondEndpoints: { first: 'R1', second: 'R1' },
},
{
description: 'Phosphate',
monomer: 'nasP',
monomerTestId: 'nasP___Sodium Phosporothioate',
monomerTestId: Phosphates.nasP,
summaryTestId: 'summary-Phosphates',
bondEndpoints: { first: 'R1', second: 'R2' },
},
Expand Down
6 changes: 4 additions & 2 deletions ...r-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher2.spec.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -26,6 +26,8 @@ import {
selectDropdownTool,
clickInTheMiddleOfTheScreen,
selectClearCanvasTool,
Sugars,
Bases,
} from '@utils';
import { Peptides } from '@utils/selectors/macromoleculeEditor';

Expand All @@ -38,9 +40,9 @@ async function addToFavoritesMonomers(page: Page) {
await page.getByTestId('meM___N-Methyl-Methionine').getByText('★').click();
await page.getByTestId('RNA-TAB').click();
await page.getByTestId('summary-Sugars').click();
await page.getByTestId('25R___2,5-Ribose').getByText('★').click();
await page.getByTestId(Sugars.TwentyFiveR).getByText('★').click();
await page.getByTestId('summary-Bases').click();
await page.getByTestId('baA___N-benzyl-adenine').getByText('★').click();
await page.getByTestId(Bases.baA).getByText('★').click();
await page.getByTestId('summary-Phosphates').click();
await page.getByTestId('bP___Boranophosphate').getByText('★').click();
await page.getByTestId('CHEM-TAB').click();
Expand Down
12 changes: 7 additions & 5 deletions ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/add-custom-preset.spec.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,9 @@ import {
} from '@constants/testIdConstants';
import { waitForPageInit } from '@utils/common';
import {
Bases,
moveMouseToTheMiddleOfTheScreen,
Sugars,
takeEditorScreenshot,
takeMonomerLibraryScreenshot,
} from '@utils';
Expand Down Expand Up @@ -63,8 +65,8 @@ test.describe('Macromolecules custom presets', () => {

test('Add new preset and duplicate it', async ({ page }) => {
await selectRNAComponents(page, {
sugar: '25R___2,5-Ribose',
base: 'baA___N-benzyl-adenine',
sugar: Sugars.TwentyFiveR,
base: Bases.baA,
phosphate: 'bP___Boranophosphate',
});
await moveMouseToTheMiddleOfTheScreen(page);
Expand All @@ -75,7 +77,7 @@ test.describe('Macromolecules custom presets', () => {
await page.getByTestId('duplicate-btn').click();

await selectRNAComponents(page, {
sugar: "12ddR___1',2'-Di-Deoxy-Ribose",
sugar: "12ddR___1',2'-dideoxyribose",
base: 'A___Adenine',
phosphate: 'P___Phosphate',
});
Expand Down Expand Up @@ -111,13 +113,13 @@ test.describe('Macromolecules custom presets', () => {
await page.getByTestId(SUGAR).click();

// Click on <div> "25R ★"
await page.click('[data-testid="25R___2,5-Ribose"]');
await page.click(`[data-testid="${Sugars.TwentyFiveR}"]`);

// Click on <div> "Base Not selected"
await page.getByTestId(BASE).click();

// Click on <div> "baA ★"
await page.click('[data-testid="baA___N-benzyl-adenine"]');
await page.click(`[data-testid="${Bases.baA}"]`);

// Click on <button> "Add to Presets"
await page.getByTestId(BUTTON__ADD_TO_PRESETS).click();
Expand Down
36 changes: 17 additions & 19 deletions ketcher-autotests/tests/Macromolecule-editor/RNA-Builder/rna-library.spec.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -61,7 +61,7 @@ async function drawThreeMonomers(page: Page) {
const y3 = 106;
await selectMonomer(page, Sugars.ThreeA6);
await page.mouse.click(x1, y1);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await page.mouse.click(x2, y2);
await selectMonomer(page, Phosphates.Phosphate);
await page.mouse.click(x3, y3);
Expand Down Expand Up @@ -93,7 +93,7 @@ async function drawBasePhosphate(page: Page) {
const base1 = bases.nth(0);
const phosphates = await page.getByText('P').locator('..');
const phosphate1 = phosphates.nth(0);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await clickInTheMiddleOfTheScreen(page);
await selectMonomer(page, Phosphates.Phosphate);
await page.mouse.click(x, y);
Expand Down Expand Up @@ -133,7 +133,7 @@ async function drawSugarBase(page: Page) {
const base1 = bases.nth(0);
await selectMonomer(page, Sugars.ThreeA6);
await clickInTheMiddleOfTheScreen(page);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await page.mouse.click(x, y);
await selectSingleBondTool(page);
await sugar1.hover();
Expand Down Expand Up @@ -370,7 +370,7 @@ test.describe('RNA Library', () => {
*/
await expandCollapseRnaBuilder(page);
await selectMonomer(page, Sugars.ThreeA6);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await selectMonomer(page, Phosphates.Boranophosphate);
await pressAddToPresetsButton(page);
await page.getByTestId('3A6(baA)bP_baA_3A6_bP').click();
Expand All @@ -388,12 +388,10 @@ test.describe('RNA Library', () => {
Test was updated since logic for RNA Builder was changed in a scope of https://github.com/epam/ketcher/issues/3816
*/
await expandCollapseRnaBuilder(page);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await selectMonomer(page, Phosphates.Boranophosphate);
await page.getByTestId('rna-builder-slot--sugar').click();
await page
.getByTestId("3SS6___3'-Thiol-Modifier 6 S-S from Glen Research")
.click();
await page.getByTestId(Sugars.ThreeSS6).click();
await page.getByTestId('rna-builder-slot--sugar').click();
await takeRNABuilderScreenshot(page);
});
Expand Down Expand Up @@ -459,7 +457,7 @@ test.describe('RNA Library', () => {
});
await page.getByTestId('edit').locator('div').click();
await page.getByTestId('rna-builder-slot--base').click();
await page.getByTestId('baA___N-benzyl-adenine').click();
await page.getByTestId(Bases.baA).click();
await page.getByTestId('save-btn').click();
await page.getByTestId('25R(baA)Test-6-Ph_baA_25R_Test-6-Ph').click();
// To avoid unstable test execution
Expand Down Expand Up @@ -548,7 +546,7 @@ test.describe('RNA Library', () => {
*/
await expandCollapseRnaBuilder(page);
await selectMonomer(page, Sugars.TwentyFiveR);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await selectMonomer(page, Phosphates.Boranophosphate);
await pressAddToPresetsButton(page);
await page.getByTestId('25R(baA)bP_baA_25R_bP').click({
Expand All @@ -571,7 +569,7 @@ test.describe('RNA Library', () => {
await page.getByTestId("3A6___6-amino-hexanol (3' end)").click();
await moveMouseAway(page);
await page.getByTestId('rna-builder-slot--base').click();
await page.getByTestId('baA___N-benzyl-adenine').click();
await page.getByTestId(Bases.baA).click();
await moveMouseAway(page);
await page.getByTestId('rna-builder-slot--phosphate').click();
await page.getByTestId('bP___Boranophosphate').click();
Expand All @@ -586,7 +584,7 @@ test.describe('RNA Library', () => {
*/
await expandCollapseRnaBuilder(page);
await page.getByTestId('rna-builder-slot--sugar').click();
await page.getByTestId('25R___2,5-Ribose').click();
await page.getByTestId(Sugars.TwentyFiveR).click();
// To avoid unstable test execution
// Hide tooltip which overlays 'rna-builder-slot--base' element
await moveMouseAway(page);
Expand Down Expand Up @@ -614,7 +612,7 @@ test.describe('RNA Library', () => {
groupName: 'Sugars',
name: "3A6___6-amino-hexanol (3' end)",
},
{ type: 'base', groupName: 'Bases', name: 'baA___N-benzyl-adenine' },
{ type: 'base', groupName: 'Bases', name: Bases.baA },
{
type: 'phosphate',
groupName: 'Phosphates',
Expand Down Expand Up @@ -642,7 +640,7 @@ test.describe('RNA Library', () => {
*/
await expandCollapseRnaBuilder(page);
await selectMonomer(page, Sugars.ThreeA6);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await pressAddToPresetsButton(page);
await page.getByTestId('3A6(baA)_baA_3A6_.').click();
await clickInTheMiddleOfTheScreen(page);
Expand Down Expand Up @@ -673,7 +671,7 @@ test.describe('RNA Library', () => {
Description: Base-Phosphate Combination not added to Presets.
*/
await expandCollapseRnaBuilder(page);
await selectMonomer(page, Bases.NBebnzylAdenine);
await selectMonomer(page, Bases.baA);
await selectMonomer(page, Phosphates.Boranophosphate);
await page.getByTestId('rna-builder-slot--base').click();
await takeRNABuilderScreenshot(page);
Expand Down Expand Up @@ -811,8 +809,8 @@ test.describe('RNA Library', () => {
});

const molecules = [
{ type: 'Sugars', description: '25R___2,5-Ribose' },
{ type: 'Bases', description: 'baA___N-benzyl-adenine' },
{ type: 'Sugars', description: Sugars.TwentyFiveR },
{ type: 'Bases', description: Bases.baA },
{ type: 'Phosphates', description: 'bP___Boranophosphate' },
];

Expand Down Expand Up @@ -959,7 +957,7 @@ test.describe('RNA Library', () => {
*/
await expandCollapseRnaBuilder(page);
await page.getByTestId('rna-builder-slot--sugar').click();
await page.getByTestId(`12ddR___1',2'-Di-Deoxy-Ribose`).click();
await page.getByTestId(Sugars.TwelveddR).click();
await page.getByTestId('rna-builder-slot--base').click();
await takePresetsScreenshot(page);
});
Expand Down Expand Up @@ -1140,7 +1138,7 @@ test.describe('RNA Library', () => {
*/
await expandCollapseRnaBuilder(page);
await page.getByTestId('rna-builder-slot--base').click();
await page.getByTestId(`baA___N-benzyl-adenine`).click();
await page.getByTestId(Bases.baA).click();
await page.getByTestId('rna-builder-slot--sugar').click();
await takePresetsScreenshot(page);
});
Expand Down
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