#3019 - Add Phenylalanice mustard to template library

epam · Aug 28, 2023 · 4cb3547 · 4cb3547
1 parent c3e1e08
commit 4cb3547
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diff --git a/ketcher-autotests/tests/Templates/Template-Library/template-library.spec.ts b/ketcher-autotests/tests/Templates/Template-Library/template-library.spec.ts
@@ -0,0 +1,27 @@
+import { test } from '@playwright/test';
+import {
+  selectTopPanelButton,
+  takeEditorScreenshot,
+  TopPanelButton,
+} from '@utils';
+
+test.describe('Templates - Template Library', () => {
+  test.beforeEach(async ({ page }) => {
+    await page.goto('');
+  });
+
+  test.afterEach(async ({ page }) => {
+    await takeEditorScreenshot(page);
+  });
+
+  test.only('Template with chiral flag 0 with ignoreChiralFlag enabled/disabled', async ({
+    page,
+  }) => {
+    await selectTopPanelButton(TopPanelButton.Settings, page);
+    await page.getByText('Stereochemistry', { exact: true }).click();
+    await page.getByLabel('Ignore the chiral flag').click();
+    // await pressButton(page, 'Labels Only');
+    // await page.getByRole('option', { name: color }).click();
+    // await pressButton(page, 'Apply');
+  });
+});
diff --git a/packages/ketcher-react/src/templates/library.sdf b/packages/ketcher-react/src/templates/library.sdf
@@ -11630,3 +11630,59 @@ M  END
 library.svg#tmpl268
 
 $$$$
+Phenylalanine mustard
+  Ketcher  8252313372D 1   1.00000     0.00000     0
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
+   18.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   19.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   20.2500   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   19.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   18.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   18.2500   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   17.2500   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   16.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   15.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   15.2500   -9.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+   15.2500  -11.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+   17.2500  -11.6071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+   21.2500   -9.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+   21.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   22.7500   -9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   23.2500   -8.1429    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
+   21.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   22.7500  -10.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   23.2500  -11.6071    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  2  0     0  0
+  2  3  1  0     0  0
+  3  4  2  0     0  0
+  4  5  1  0     0  0
+  5  6  2  0     0  0
+  6  1  1  0     0  0
+  6  7  1  0     0  0
+  7  8  1  0     0  0
+  8  9  1  0     0  0
+  9 10  2  0     0  0
+  9 11  1  0     0  0
+  8 12  1  1     0  0
+  3 13  1  0     0  0
+  13 14  1  0     0  0
+  14 15  1  0     0  0
+  15 16  1  0     0  0
+  13 17  1  0     0  0
+  17 18  1  0     0  0
+  18 19  1  0     0  0
+M  END
+>  <atomid>
+0
+
+>  <bondid>
+0
+
+>  <group>
+Aromatics
+
+>  <prerender>
+library.svg#tmpl269
+
+$$$$