#3531 – added tests for ketcher API for macro mode

ketcher-autotests/tests/Indigo-Tools/Reaction Auto-mapping tool/reaction-am-tool-veryfing-button.spec.ts

@@ -4,7 +4,6 @@ import {
   selectNestedTool,
   openFileAndAddToCanvas,
   takeEditorScreenshot,
-  pressButton,
   selectTopPanelButton,
   TopPanelButton,
   clickOnTheCanvas,

ketcher-autotests/tests/Macromolecule-editor/API/add-fragment.spec.ts

@@ -0,0 +1,62 @@
+import { Page, test } from '@playwright/test';
+import {
+  readFileContents,
+  waitForPageInit,
+  turnOnMacromoleculesEditor,
+  takeEditorScreenshot,
+  waitForSpinnerFinishedWork,
+  addFragment,
+  selectRectangleArea,
+  openFileAndAddToCanvas,
+  dragMouseTo,
+} from '@utils';
+
+const fileName = 'KET/alanine-monomers-bonded.ket';
+
+async function shiftStructure(page: Page) {
+  const startX = 100;
+  const startY = 100;
+  const endX = 800;
+  const endY = 750;
+  const toShiftToCoordinates = 400;
+
+  await selectRectangleArea(page, startX, startY, endX, endY);
+  const alanine = await page
+    .getByText('A', { exact: true })
+    .locator('..')
+    .first();
+  await alanine.hover();
+  await dragMouseTo(toShiftToCoordinates, toShiftToCoordinates, page);
+}
+
+test.describe('addFragment', () => {
+  test.beforeEach(async ({ page }) => {
+    await waitForPageInit(page);
+    await turnOnMacromoleculesEditor(page);
+    await openFileAndAddToCanvas(fileName, page);
+    await shiftStructure(page);
+  });
+
+  test.afterEach(async ({ page }) => {
+    await page.mouse.move(0, 0);
+    await takeEditorScreenshot(page);
+  });
+
+  test('mol with two monomers bonded', async ({ page }) => {
+    const fileContents = await readFileContents(
+      'tests/test-data/Molfiles-V3000/alanine-monomers-bonded-expected.mol',
+    );
+    await waitForSpinnerFinishedWork(
+      page,
+      async () => await addFragment(page, fileContents),
+    );
+  });
+
+  test('ket with two monomers bonded', async ({ page }) => {
+    const fileContents = await readFileContents(`tests/test-data/${fileName}`);
+    await waitForSpinnerFinishedWork(
+      page,
+      async () => await addFragment(page, fileContents),
+    );
+  });
+});

ketcher-autotests/tests/Macromolecule-editor/API/get-ket.spec.ts

@@ -0,0 +1,26 @@
+import { test, expect } from '@playwright/test';
+import {
+  openFileAndAddToCanvas,
+  readFileContents,
+  waitForPageInit,
+  turnOnMacromoleculesEditor,
+  getKet,
+  saveToFile,
+} from '@utils';
+
+test.describe('getKet', () => {
+  test.beforeEach(async ({ page }) => {
+    await waitForPageInit(page);
+    await turnOnMacromoleculesEditor(page);
+  });
+
+  test('with two monomers bonded', async ({ page }) => {
+    await openFileAndAddToCanvas('KET/alanine-monomers-bonded.ket', page);
+    const ket = await getKet(page);
+    await saveToFile('KET/alanine-monomers-bonded-expected.ket', ket);
+    const fileContents = await readFileContents(
+      'tests/test-data/KET/alanine-monomers-bonded-expected.ket',
+    );
+    expect(ket).toBe(fileContents);
+  });
+});

ketcher-autotests/tests/Macromolecule-editor/API/get-molFile.spec.ts

@@ -0,0 +1,29 @@
+import { test, expect } from '@playwright/test';
+import {
+  openFileAndAddToCanvas,
+  readFileContents,
+  waitForPageInit,
+  turnOnMacromoleculesEditor,
+  saveToFile,
+  getMolfile,
+} from '@utils';
+
+test.describe('getMolfile', () => {
+  test.beforeEach(async ({ page }) => {
+    await waitForPageInit(page);
+    await turnOnMacromoleculesEditor(page);
+  });
+
+  test('with two monomers bonded', async ({ page }) => {
+    await openFileAndAddToCanvas('KET/alanine-monomers-bonded.ket', page);
+    const mol = await getMolfile(page);
+    await saveToFile(
+      'Molfiles-V3000/alanine-monomers-bonded-expected.mol',
+      mol,
+    );
+    const fileContents = await readFileContents(
+      'tests/test-data/Molfiles-V3000/alanine-monomers-bonded-expected.mol',
+    );
+    expect(mol).toBe(fileContents);
+  });
+});

ketcher-autotests/tests/Macromolecule-editor/API/set-molecule.spec.ts

@@ -0,0 +1,38 @@
+import { test, expect } from '@playwright/test';
+import {
+  readFileContents,
+  waitForPageInit,
+  turnOnMacromoleculesEditor,
+  setMolecule,
+  takeEditorScreenshot,
+  waitForSpinnerFinishedWork,
+} from '@utils';
+
+test.describe('setMolecule', () => {
+  test.beforeEach(async ({ page }) => {
+    await waitForPageInit(page);
+    await turnOnMacromoleculesEditor(page);
+  });
+
+  test('mol with two monomers bonded', async ({ page }) => {
+    const fileContents = await readFileContents(
+      'tests/test-data/Molfiles-V3000/alanine-monomers-bonded-expected.mol',
+    );
+    await waitForSpinnerFinishedWork(
+      page,
+      async () => await setMolecule(page, fileContents),
+    );
+    await takeEditorScreenshot(page);
+  });
+
+  test('ket with two monomers bonded', async ({ page }) => {
+    const fileContents = await readFileContents(
+      'tests/test-data/KET/alanine-monomers-bonded.ket',
+    );
+    await waitForSpinnerFinishedWork(
+      page,
+      async () => await setMolecule(page, fileContents),
+    );
+    await takeEditorScreenshot(page);
+  });
+});

ketcher-autotests/tests/Settings/Atoms/atoms-settings.spec.ts

@@ -15,10 +15,12 @@ import {
 } from '@utils';
 import { scrollSettingBar } from '@utils/scrollSettingBar';
 
+const scrollBy = 150;
+
 async function setHydrogenLabelsOn(page: Page) {
   await selectTopPanelButton(TopPanelButton.Settings, page);
   await page.getByText('Atoms', { exact: true }).click();
-  await scrollSettingBar(page, 150);
+  await scrollSettingBar(page, scrollBy);
   await page.getByTestId('show-hydrogen-labels-input-span').click();
   await page.getByTestId('On-option').click();
   await pressButton(page, 'Apply');
@@ -31,7 +33,7 @@ async function selectExtendedTableElements(page: Page, element: string) {
 async function atomDefaultSettings(page: Page) {
   await selectTopPanelButton(TopPanelButton.Settings, page);
   await page.getByText('Atoms', { exact: true }).click();
-  await scrollSettingBar(page,150);
+  await scrollSettingBar(page, scrollBy);
 }
 
 async function ringBondCountQuery(page: Page, menuItem: string) {

ketcher-autotests/tests/test-data/KET/alanine-monomers-bonded-expected.ket

@@ -0,0 +1,183 @@
+{
+    "root": {
+        "nodes": [
+            {
+                "$ref": "monomer0"
+            },
+            {
+                "$ref": "monomer1"
+            }
+        ],
+        "connections": [
+            {
+                "connectionType": "single",
+                "endpoint1": {
+                    "monomerId": "monomer0",
+                    "attachmentPointId": "R2"
+                },
+                "endpoint2": {
+                    "monomerId": "monomer1",
+                    "attachmentPointId": "R1"
+                }
+            }
+        ],
+        "templates": [
+            {
+                "$ref": "monomerTemplate-A___Alanine"
+            }
+        ]
+    },
+    "monomer0": {
+        "type": "monomer",
+        "id": "0",
+        "position": {
+            "x": 10.675,
+            "y": 6.75
+        },
+        "alias": "A",
+        "templateId": "A___Alanine"
+    },
+    "monomerTemplate-A___Alanine": {
+        "type": "monomerTemplate",
+        "atoms": [
+            {
+                "label": "N",
+                "location": [
+                    -0.9805331061317909,
+                    -0.30629450761308635,
+                    0
+                ]
+            },
+            {
+                "label": "C",
+                "location": [
+                    -0.21253088283357013,
+                    0.20573302003705518,
+                    0
+                ],
+                "stereoLabel": "abs"
+            },
+            {
+                "label": "C",
+                "location": [
+                    -0.24245710640903242,
+                    1.359025604825105,
+                    0
+                ]
+            },
+            {
+                "label": "C",
+                "location": [
+                    0.8222288529623745,
+                    -0.30629450761308635,
+                    0
+                ]
+            },
+            {
+                "label": "O",
+                "location": [
+                    0.846138577281151,
+                    -1.2284597573196285,
+                    0
+                ]
+            },
+            {
+                "type": "rg-label",
+                "location": [
+                    1.5903092126145781,
+                    0.20573302003705518,
+                    0
+                ],
+                "$refs": [
+                    "rg-2"
+                ]
+            },
+            {
+                "type": "rg-label",
+                "location": [
+                    -1.8232336838376932,
+                    0.07071340035455183,
+                    0
+                ],
+                "$refs": [
+                    "rg-1"
+                ]
+            }
+        ],
+        "bonds": [
+            {
+                "type": 1,
+                "atoms": [
+                    1,
+                    0
+                ]
+            },
+            {
+                "type": 1,
+                "atoms": [
+                    1,
+                    2
+                ],
+                "stereo": 1
+            },
+            {
+                "type": 1,
+                "atoms": [
+                    1,
+                    3
+                ]
+            },
+            {
+                "type": 2,
+                "atoms": [
+                    3,
+                    4
+                ]
+            },
+            {
+                "type": 1,
+                "atoms": [
+                    3,
+                    5
+                ]
+            },
+            {
+                "type": 1,
+                "atoms": [
+                    0,
+                    6
+                ]
+            }
+        ],
+        "classHELM": "PEPTIDE",
+        "naturalAnalogShort": "A",
+        "id": "A___Alanine",
+        "alias": "A",
+        "attachmentPoints": [
+            {
+                "attachmentAtom": 6,
+                "leavingGroup": {
+                    "atoms": []
+                },
+                "type": "left"
+            },
+            {
+                "attachmentAtom": 5,
+                "leavingGroup": {
+                    "atoms": []
+                },
+                "type": "right"
+            }
+        ]
+    },
+    "monomer1": {
+        "type": "monomer",
+        "id": "1",
+        "position": {
+            "x": 15.375,
+            "y": 10.4
+        },
+        "alias": "A",
+        "templateId": "A___Alanine"
+    }
+}