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#3869 enhancement
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@StarlaStarla
StarlaStarla committed Jan 30, 2024
1 parent 6a1a825 commit 187aedb
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Showing 11 changed files with 236 additions and 178 deletions.
270 changes: 144 additions & 126 deletions ketcher-autotests/tests/Macromolecule-editor/Polymer-Bond-Tool/snake-bond-tool.spec.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -275,73 +275,89 @@ test.describe('Snake Bond Tool', () => {
await page.getByText('RNA').click();
await selectSnakeBondTool(page);

await addRnaPresetOnCanvas(page, 'A_A_R_P', 300, 300);
await addRnaPresetOnCanvas(page, 'C_C_R_P', 400, 600);
await addRnaPresetOnCanvas(page, 'G_G_R_P', 600, 400);
const { phosphate } = await addRnaPresetOnCanvas(
page,
'A_A_R_P',
300,
300,
0,
0,
);
const { sugar: sugar1, phosphate: phosphate1 } = await addRnaPresetOnCanvas(
page,
'C_C_R_P',
400,
600,
1,
1,
);
const { sugar: sugar2 } = await addRnaPresetOnCanvas(
page,
'G_G_R_P',
600,
400,
2,
2,
);

await selectSingleBondTool(page);

const phosphate1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(0);

const phosphate2 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(1);

const sugar1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(1);
const sugar2 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(2);

await bondTwoMonomers(page, phosphate1, sugar1);
await bondTwoMonomers(page, phosphate2, sugar2);
await bondTwoMonomers(page, phosphate, sugar1);
await bondTwoMonomers(page, phosphate1, sugar2);

await takeEditorScreenshot(page);
});

test('Check snake mode arrange for RNA chain', async ({ page }) => {
await page.getByText('RNA').click();

await addRnaPresetOnCanvas(page, 'A_A_R_P', 300, 300);
await addRnaPresetOnCanvas(page, 'C_C_R_P', 400, 600);
await addRnaPresetOnCanvas(page, 'G_G_R_P', 600, 400);
await addRnaPresetOnCanvas(page, 'T_T_R_P', 800, 200);
await addRnaPresetOnCanvas(page, 'T_T_R_P', 100, 100);
const { phosphate } = await addRnaPresetOnCanvas(
page,
'A_A_R_P',
300,
300,
0,
0,
);
const { sugar: sugar1, phosphate: phosphate1 } = await addRnaPresetOnCanvas(
page,
'C_C_R_P',
400,
600,
1,
1,
);
const { sugar: sugar2, phosphate: phosphate2 } = await addRnaPresetOnCanvas(
page,
'G_G_R_P',
600,
400,
2,
2,
);
const { sugar: sugar3, phosphate: phosphate3 } = await addRnaPresetOnCanvas(
page,
'T_T_R_P',
800,
200,
3,
3,
);
const { sugar: sugar4 } = await addRnaPresetOnCanvas(
page,
'T_T_R_P',
100,
100,
4,
4,
);

await selectSingleBondTool(page);

const phosphate1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(0);
const phosphate2 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(1);
const phosphate3 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(2);
const phosphate4 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(3);
const sugar1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(1);
const sugar2 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(2);
const sugar3 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(3);
const sugar4 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(4);

await bondTwoMonomers(page, phosphate1, sugar1);
await bondTwoMonomers(page, phosphate2, sugar2);
await bondTwoMonomers(page, phosphate3, sugar3);
await bondTwoMonomers(page, phosphate4, sugar4);
await bondTwoMonomers(page, phosphate, sugar1);
await bondTwoMonomers(page, phosphate1, sugar2);
await bondTwoMonomers(page, phosphate2, sugar3);
await bondTwoMonomers(page, phosphate3, sugar4);

await selectSnakeBondTool(page);
await takeEditorScreenshot(page);
Expand Down Expand Up @@ -411,35 +427,36 @@ test.describe('Snake Bond Tool', () => {
await page.getByText('RNA').click();
await selectSnakeBondTool(page);

await addRnaPresetOnCanvas(page, 'A_A_R_P', 200, 200);
await addRnaPresetOnCanvas(page, 'C_C_R_P', 300, 500);
await addRnaPresetOnCanvas(page, 'G_G_R_P', 400, 300);
const { phosphate } = await addRnaPresetOnCanvas(
page,
'A_A_R_P',
200,
200,
0,
0,
);
const { sugar: sugar1, phosphate: phosphate1 } = await addRnaPresetOnCanvas(
page,
'C_C_R_P',
300,
500,
1,
1,
);
const { sugar: sugar2, phosphate: phosphate2 } = await addRnaPresetOnCanvas(
page,
'G_G_R_P',
400,
300,
2,
2,
);

await selectSingleBondTool(page);

const phosphate1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(0);
const phosphate2 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(1);
const phosphate3 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(2);

const sugar1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(1);
const sugar2 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(2);

await bondTwoMonomers(page, phosphate1, sugar1);
await bondTwoMonomers(page, phosphate2, sugar2);
await bondTwoMonomers(page, phosphate3, peptide1);

await page.locator('button[title=R1]').nth(1).click();
await page.locator('button[title=Connect]').click();
await bondTwoMonomers(page, phosphate, sugar1);
await bondTwoMonomers(page, phosphate1, sugar2);
await bondTwoMonomers(page, phosphate2, peptide1, undefined, 'R1');
await bondTwoMonomers(page, peptide1, peptide2);
await bondTwoMonomers(page, peptide2, peptide3);

Expand All @@ -460,8 +477,22 @@ test.describe('Snake Bond Tool', () => {
await page.getByText('RNA').click();
await selectSnakeBondTool(page);

await addRnaPresetOnCanvas(page, 'A_A_R_P', 200, 200);
await addRnaPresetOnCanvas(page, 'G_G_R_P', 700, 300);
const { phosphate } = await addRnaPresetOnCanvas(
page,
'A_A_R_P',
200,
200,
0,
0,
);
const { sugar } = await addRnaPresetOnCanvas(
page,
'G_G_R_P',
700,
300,
1,
1,
);

await page.getByTestId('summary-Sugars').click();
const sugarOfNucleoside = await addMonomerToCanvas(
Expand All @@ -484,15 +515,6 @@ test.describe('Snake Bond Tool', () => {

await selectSingleBondTool(page);
await bondTwoMonomers(page, sugarOfNucleoside, baseOfNucleoside);

const phosphate = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(0);

const sugar = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(1);

await bondTwoMonomers(page, phosphate, sugarOfNucleoside);
await bondTwoMonomers(page, sugarOfNucleoside, sugar);

Expand All @@ -507,12 +529,31 @@ test.describe('Snake Bond Tool', () => {

test('Create snake bond for chain with side chains', async ({ page }) => {
await page.getByText('RNA').click();

await addRnaPresetOnCanvas(page, 'A_A_R_P', 200, 200);
await addRnaPresetOnCanvas(page, 'G_G_R_P', 500, 300);
await addRnaPresetOnCanvas(page, 'T_T_R_P', 700, 300);
await addRnaPresetOnCanvas(page, 'U_U_R_P', 900, 300);

const { phosphate } = await addRnaPresetOnCanvas(
page,
'A_A_R_P',
200,
200,
0,
0,
);
const { sugar: sugar1, phosphate: phosphate1 } = await addRnaPresetOnCanvas(
page,
'G_G_R_P',
500,
300,
1,
1,
);
const { sugar: sugar2, phosphate: phosphate2 } = await addRnaPresetOnCanvas(
page,
'T_T_R_P',
700,
300,
2,
2,
);
await addRnaPresetOnCanvas(page, 'U_U_R_P', 900, 300, 3, 3);
await page.getByTestId('summary-Sugars').click();
const sugarOfNucleoside = await addMonomerToCanvas(
page,
Expand Down Expand Up @@ -601,40 +642,17 @@ test.describe('Snake Bond Tool', () => {

await selectSingleBondTool(page);
await bondTwoMonomers(page, sugarOfNucleoside, baseOfNucleoside);
await bondTwoMonomers(page, baseOfNucleoside, monomer1);
await page.locator('button[title=R2]').nth(0).click();
await page.locator('button[title=R1]').nth(1).click();
await page.locator('button[title=Connect]').click();
await bondTwoMonomers(page, baseOfNucleoside, monomer1, 'R2', 'R1');

await bondTwoMonomers(page, monomer1, monomer2);
await bondTwoMonomers(page, monomer2, monomer3);
await bondTwoMonomers(page, monomer3, monomer4);
await bondTwoMonomers(page, monomer2, monomer5);
await page.locator('button[title=R1]').nth(1).click();
await page.locator('button[title=Connect]').click();

const phosphate = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(0);

const sugar = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(1);
const sugar1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(2);
const phosphate1 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(1);
const phosphate2 = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(2);
await bondTwoMonomers(page, monomer2, monomer5, undefined, 'R1');

await bondTwoMonomers(page, phosphate, sugarOfNucleoside);
await bondTwoMonomers(page, sugarOfNucleoside, sugar);
await bondTwoMonomers(page, phosphate1, sugar1);
await bondTwoMonomers(page, phosphate2, monomer6);
await page.locator('button[title=R1]').nth(1).click();
await page.locator('button[title=Connect]').click();
await bondTwoMonomers(page, sugarOfNucleoside, sugar1);
await bondTwoMonomers(page, phosphate1, sugar2);
await bondTwoMonomers(page, phosphate2, monomer6, undefined, 'R1');
await bondTwoMonomers(page, monomer6, monomer7);
await bondTwoMonomers(page, monomer7, monomer8);

Expand Down
10 changes: 10 additions & 0 deletions ketcher-autotests/tests/utils/canvas/helpers.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -330,10 +330,20 @@ export async function addRnaPresetOnCanvas(
presetId: string,
positionX: number,
positionY: number,
sugarIndex: number,
phosphateIndex: number,
) {
await page.getByTestId(presetId).click();
await page.mouse.click(positionX, positionY);
await hideMonomerPreview(page);
const sugar = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='R']]`)
.nth(sugarIndex);
const phosphate = await page
.locator(`//\*[name() = 'g' and ./\*[name()='text' and .='P']]`)
.nth(phosphateIndex);

return { sugar, phosphate };
}

export async function addChemOnCanvas(page: Page, chemId: string) {
Expand Down
12 changes: 12 additions & 0 deletions ketcher-autotests/tests/utils/macromolecules/polymerBond.ts
View file
Original file line number Diff line number Diff line change
Expand Up @@ -5,10 +5,22 @@ export async function bondTwoMonomers(
page: Page,
firstMonomerElement: Locator,
secondMonomerElement: Locator,
connectTitle1?: string,
connectTitle2?: string,
) {
await firstMonomerElement.hover();
await page.mouse.down();
await secondMonomerElement.hover();
await page.mouse.up();
await hideMonomerPreview(page);
const dialog = await page.getByRole('dialog');
if (await dialog.isVisible()) {
if (connectTitle1) {
await page.locator(`button[title='${connectTitle1}']`).nth(0).click();
}
if (connectTitle2) {
await page.locator(`button[title='${connectTitle2}']`).nth(1).click();
}
await page.locator('button[title=Connect]').click();
}
}
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