Autotests: #3581 - missed smarts tests (#4021)

- add tests for missed test cases based on done tickets for smarts (#3710)

Co-authored-by: Urszula Gawlowska <[email protected]>

ketcher-autotests/tests/File-Management/Open-And-Save-Files/Open-File/open-file.spec.ts

@@ -47,9 +47,9 @@ test.describe('open files with different formats', () => {
   });
 
   /* two structures should be added on the canvas in the following test
-(same as in EPMLSOPKET-1835), however in this test when second structure is added
-the first one disappears. Couldn't reproduct manually.
-*/
+  (same as in EPMLSOPKET-1835), however in this test when second structure is added
+  the first one disappears. Couldn't reproduct manually.
+  */
   test('Open file - Input .mol, InChi', async ({ page }) => {
     /**
      * Test case: EPMLSOPKET-1835
@@ -159,4 +159,15 @@ the first one disappears. Couldn't reproduct manually.
       await pressButton(page, 'Open as New Project');
     });
   });
+
+  test('Open ket file with SMARTS attributes', async ({ page }) => {
+    /*
+      Test case: https://github.com/epam/ketcher/issues/3397
+      Description: ket file with SMARTS attributes should be open without error
+      */
+    await openFileAndAddToCanvas(
+      'KET/benzene-with-smarts-attributes.ket',
+      page,
+    );
+  });
 });

ketcher-autotests/tests/File-Management/Open-And-Save-Files/Save-File/save-file.spec.ts

@@ -412,4 +412,32 @@ test.describe('Open/Save/Paste files', () => {
     await getPreviewForSmiles(page, 'Daylight SMILES');
     await page.getByText('Warnings').click();
   });
+
+  test('Save *.ket file with atom list and atom properties', async ({
+    page,
+  }) => {
+    /**
+     * Test case: https://github.com/epam/ketcher/issues/3387
+     * Description: All the atom properties (general and query specific) for atom list should be saved in ket format
+     */
+    await openFileAndAddToCanvas(
+      'KET/benzene-with-atom-list-and-all-atom-and-query-attributes.ket',
+      page,
+    );
+
+    const expectedFile = await getKet(page);
+    await saveToFile(
+      'KET/benzene-with-atom-list-and-all-atom-and-query-attributes-to-compare.ket',
+      expectedFile,
+    );
+
+    const { fileExpected: ketFileExpected, file: ketFile } =
+      await receiveFileComparisonData({
+        page,
+        expectedFileName:
+          'tests/test-data/KET/benzene-with-atom-list-and-all-atom-and-query-attributes-to-compare.ket',
+      });
+
+    expect(ketFile).toEqual(ketFileExpected);
+  });
 });

ketcher-autotests/tests/File-Management/SMARTS-Files/smarts-files.spec.ts

@@ -0,0 +1,37 @@
+import { test } from '@playwright/test';
+import {
+  takeEditorScreenshot,
+  clickInTheMiddleOfTheScreen,
+  waitForPageInit,
+  pasteFromClipboardAndAddToCanvas,
+} from '@utils';
+
+test.describe('Loading SMARTS files', () => {
+  test.beforeEach(async ({ page }) => {
+    await waitForPageInit(page);
+  });
+
+  test.afterEach(async ({ page }) => {
+    await takeEditorScreenshot(page);
+  });
+
+  test('Loading SMARTS with custom query', async ({ page }) => {
+    /*
+    Test case: https://github.com/epam/Indigo/issues/1358
+    Description: [!#6,!#7,!#8] should be loaded as custom query without any error
+    */
+    const smartsStringToPaste = '[!#6,!#7,!#8]';
+    await pasteFromClipboardAndAddToCanvas(page, smartsStringToPaste, false);
+    await clickInTheMiddleOfTheScreen(page);
+  });
+
+  test('Loading SMARTS with aromatic atom list', async ({ page }) => {
+    /*
+    Test case: https://github.com/epam/Indigo/issues/1332
+    Description: c1-[#6]=[#6]-[#6]=[#6]-[c,n]=1 should be loaded as benzene with aromatic atom list (carbon and nitrogen)
+    */
+    const smartsStringToPaste = 'c1-[#6]=[#6]-[#6]=[#6]-[c,n]=1';
+    await pasteFromClipboardAndAddToCanvas(page, smartsStringToPaste, false);
+    await clickInTheMiddleOfTheScreen(page);
+  });
+});

ketcher-autotests/tests/Structure-Creating-&-Editing/Atom/Atom-Properties/atom-properties.spec.ts

@@ -386,6 +386,33 @@ test.describe('Atom Properties', () => {
     await doubleClickOnAtom(page, 'O', 0);
   });
 
+  test('Dialog - Atom type - List', async ({ page }) => {
+    /*
+      Test case: https://github.com/epam/ketcher/issues/3340
+      Description: if 'Atom type' is set to 'List' then dialog should change:
+      - Label and Number should be hided
+      - new items "List" (input field) and "edit" icon should be added
+      - "Not list (checkbox)" should be added
+    */
+    await openFileAndAddToCanvas('KET/benzene-ring-with-two-atoms.ket', page);
+    await doubleClickOnAtom(page, 'C', 0);
+    await page.locator('label').filter({ hasText: 'Atom Type' }).click();
+    await page.getByRole('option', { name: 'List', exact: true }).click();
+  });
+
+  test('Dialog - Atom type - Special', async ({ page }) => {
+    /*
+      Test case: https://github.com/epam/ketcher/issues/3340
+      Description: if 'Atom type' is set to 'Special' then dialog should change:
+      - Label and Number should be hidden
+      - new item "Special" (input field) and "edit" icon should be added
+    */
+    await openFileAndAddToCanvas('KET/benzene-ring-with-two-atoms.ket', page);
+    await doubleClickOnAtom(page, 'C', 0);
+    await page.locator('label').filter({ hasText: 'Atom Type' }).click();
+    await page.getByRole('option', { name: 'Special', exact: true }).click();
+  });
+
   test('Charge of the Atoms', async ({ page }) => {
     /*
       Test case: EPMLSOPKET-1606
@@ -423,6 +450,23 @@ test.describe('Atom Properties', () => {
     await page.getByLabel('Charge').fill('A');
   });
 
+  test('Type in the Charge field number bigger than maximum', async ({
+    page,
+  }) => {
+    /*
+      Test case: https://github.com/epam/ketcher/issues/3339
+      Description: The range for charge is from -999 to 999
+      The 'Charge' field is framed with the red frame.
+      The 'Error: Invalid charge value' tooltip appears when the cursor over the field.
+      The 'Apply' button becomes disabled.
+    */
+    await openFileAndAddToCanvas('KET/benzene-ring-with-two-atoms.ket', page);
+
+    await doubleClickOnAtom(page, 'C', 0);
+    await page.getByTestId('charge-input').fill('9999');
+    await page.getByTestId('charge-input').hover();
+  });
+
   test('Save structure with two Charge as *.mol file', async ({ page }) => {
     /*
       Test case: EPMLSOPKET-1606
@@ -532,6 +576,19 @@ test.describe('Atom Properties', () => {
     await page.getByLabel('Isotope').fill('b');
   });
 
+  test('Add incorrect negative Isotope in modal', async ({ page }) => {
+    /*
+      Test case: https://github.com/epam/ketcher/issues/3339
+      Description: The range for 'Isotope' field is from 0 to 999
+      Field highlight with red and tooltip appears: Invalid isotope value!
+    */
+    await openFileAndAddToCanvas('KET/chain.ket', page);
+
+    await doubleClickOnAtom(page, 'C', 1);
+    await page.getByTestId('isotope-input').fill('-88');
+    await page.getByTestId('isotope-input').hover();
+  });
+
   test('Save structure with Isotope information as *.mol file', async ({
     page,
   }) => {

ketcher-autotests/tests/Structure-Creating-&-Editing/SMARTS-attributes/Reaction-flags-attributes/reaction-flags-attributes.spec.ts

@@ -0,0 +1,87 @@
+import { Page, test } from '@playwright/test';
+import {
+  BondTypeName,
+  checkSmartsValue,
+  checkSmartsWarnings,
+  clickInTheMiddleOfTheScreen,
+  doubleClickOnAtom,
+  pressButton,
+  selectBond,
+  setReactionFlagExactChange,
+  setReactionFlagInversion,
+  takeEditorScreenshot,
+  waitForAtomPropsModal,
+  waitForPageInit,
+} from '@utils';
+
+const expectedSmarts = '[#6](-[#6])(-[#6])-[#6]';
+
+async function drawStructure(page: Page, numberOfClicks: number) {
+  await selectBond(BondTypeName.Single, page);
+  for (let i = 0; i < numberOfClicks; i++) {
+    await clickInTheMiddleOfTheScreen(page);
+  }
+}
+
+async function drawStructureAndDoubleClickOnAtom(
+  page: Page,
+  numberOfBondsAtStructure: number,
+  atomType: string,
+  numberOfAtom: number,
+) {
+  await waitForPageInit(page);
+  await drawStructure(page, numberOfBondsAtStructure);
+  await page.keyboard.press('Escape');
+  await doubleClickOnAtom(page, atomType, numberOfAtom);
+  await waitForAtomPropsModal(page);
+}
+
+test.describe('Checking atom properties attributes in SMARTS format', () => {
+  test.beforeEach(async ({ page }) => {
+    const numberOfAtom = 0;
+    const numberOfBondsAtStructure = 3;
+    await drawStructureAndDoubleClickOnAtom(
+      page,
+      numberOfBondsAtStructure,
+      'C',
+      numberOfAtom,
+    );
+    await page.getByTestId('Reaction flags-section').click();
+  });
+
+  test('Setting reaction flag - Inverts', async ({ page }) => {
+    /**
+     * Test case: https://github.com/epam/ketcher/issues/3431
+     * Description: setting reaction flag - inverts should have no impact on SMARTS output but warning should be displayed
+     */
+    await setReactionFlagInversion(page, 'Inverts');
+    await pressButton(page, 'Apply');
+    await takeEditorScreenshot(page);
+    await checkSmartsValue(page, expectedSmarts);
+    await checkSmartsWarnings(page);
+  });
+
+  test('Setting reaction flag - Retains', async ({ page }) => {
+    /**
+     * Test case: https://github.com/epam/ketcher/issues/3431
+     * Description: setting reaction flag - retains should have no impact on SMARTS output but warning should be displayed
+     */
+    await setReactionFlagInversion(page, 'Retains');
+    await pressButton(page, 'Apply');
+    await takeEditorScreenshot(page);
+    await checkSmartsValue(page, expectedSmarts);
+    await checkSmartsWarnings(page);
+  });
+
+  test('Setting reaction flag - Exact change checked', async ({ page }) => {
+    /**
+     * Test case: https://github.com/epam/ketcher/issues/3431
+     * Description: checking exact change option at reaction flag section should have no impact on SMARTS output but warning should be displayed
+     */
+    await setReactionFlagExactChange(page);
+    await pressButton(page, 'Apply');
+    await takeEditorScreenshot(page);
+    await checkSmartsValue(page, expectedSmarts);
+    await checkSmartsWarnings(page);
+  });
+});