From 188696f13f47fd1d2d9108f489829c8419d79489 Mon Sep 17 00:00:00 2001 From: Alexey Girin Date: Thu, 29 Feb 2024 10:48:46 +0300 Subject: [PATCH 1/3] Issue 3849: Autotests: Auromatizing/Dearomatizing works correct for Query features --- .../aromatize-dearomatize.spec.ts | 102 + ...stom-query-parameters-1-chromium-linux.png | Bin 0 -> 36719 bytes ...ery-but-only-ordinary-1-chromium-linux.png | Bin 0 -> 122485 bytes ...stom-query-parameters-1-chromium-linux.png | Bin 0 -> 35846 bytes ...ery-but-only-ordinary-1-chromium-linux.png | Bin 0 -> 136581 bytes .../all-possible-custom-query-features.ket | 453 + ...e-query-features-with-out-custom-query.ket | 11339 ++++++++++++++++ 7 files changed, 11894 insertions(+) create mode 100644 ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-Auromatize-molecules-with-custom-query-parameters-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-DEauromati-7fadb-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-Deuromatize-molecules-with-custom-query-parameters-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-auromatize-028fd-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/test-data/KET/all-possible-custom-query-features.ket create mode 100644 ketcher-autotests/tests/test-data/KET/all-possible-query-features-with-out-custom-query.ket diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts index 4f3a7b9209..804a4dafa8 100644 --- a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts +++ b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts @@ -17,6 +17,7 @@ import { saveToFile, waitForSpinnerFinishedWork, waitForPageInit, + openFileAndAddToCanvasAsNewProject, } from '@utils'; import { getCml, getMolfile, getRxn, getSmiles } from '@utils/formats'; @@ -378,4 +379,105 @@ test.describe('Aromatize/Dearomatize Tool', () => { expect(cmlFile).toEqual(cmlFileExpected); }); + + test('User can auromatize molecules with query parameters (not custom query, but only ordinary).', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/ketcher/issues/3849 - Test case 1 + Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + 1. Clear canvas + 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket + 3. Press Aromatize button + 4. Validate canvas + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/ketcher/issues/3529 issue. + Screenshots should be updated after fix. + */ + await openFileAndAddToCanvasAsNewProject( + 'KET/all-possible-query-features-with-out-custom-query.ket', + page, + ); + await waitForSpinnerFinishedWork(page, async () => { + await selectTopPanelButton(TopPanelButton.Aromatize, page); + }); + }); + + test('User can DEauromatize molecules with query parameters (not custom query, but only ordinary).', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/ketcher/issues/3849 - Test case 2 + Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + 1. Clear canvas + 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket + 3. Press Aromatize button + 4. Press Dearomatize button + 5. Validate canvas + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/ketcher/issues/3529 issue. + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/Indigo/issues/1757 issue. + Screenshots should be updated after fix. + */ + await openFileAndAddToCanvasAsNewProject( + 'KET/all-possible-query-features-with-out-custom-query.ket', + page, + ); + await waitForSpinnerFinishedWork(page, async () => { + await selectTopPanelButton(TopPanelButton.Aromatize, page); + }); + await waitForSpinnerFinishedWork(page, async () => { + await selectTopPanelButton(TopPanelButton.Dearomatize, page); + }); + }); + + test('User can Auromatize molecules with custom query parameters.', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/ketcher/issues/3849 - Test case 3 + Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + 1. Clear canvas + 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket + 3. Press Aromatize button + 4. Validate canvas + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/Indigo/issues/1753 issue. + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/Indigo/issues/1754 issue. + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/Indigo/issues/1759 issue. + Screenshots should be updated after fix. + */ + await openFileAndAddToCanvasAsNewProject( + 'KET/all-possible-custom-query-features.ket', + page, + ); + await waitForSpinnerFinishedWork(page, async () => { + await selectTopPanelButton(TopPanelButton.Aromatize, page); + }); + }); + + test('User can Deuromatize molecules with custom query parameters.', async ({ + page, + }) => { + /* + Test case: https://github.com/epam/ketcher/issues/3849 - Test case 4 + Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + 1. Clear canvas + 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket + 3. Press Aromatize button + 4. Press Dearomatize button + 4. Validate canvas + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/Indigo/issues/1753 issue. + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/Indigo/issues/1754 issue. + IMPORTANT: Result of execution is incorrect because of https://github.com/epam/Indigo/issues/1759 issue. + Screenshots should be updated after fix. + */ + await openFileAndAddToCanvasAsNewProject( + 'KET/all-possible-custom-query-features.ket', + page, + ); + await waitForSpinnerFinishedWork(page, async () => { + await selectTopPanelButton(TopPanelButton.Aromatize, page); + }); + await waitForSpinnerFinishedWork(page, async () => { + await selectTopPanelButton(TopPanelButton.Dearomatize, page); + }); + }); }); diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-Auromatize-molecules-with-custom-query-parameters-1-chromium-linux.png 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"ringBondCount": 9, + "substitutionCount": 9, + "unsaturatedAtom": true, + "hCount": 10, + "queryProperties": { + "aromaticity": "aliphatic", + "ringMembership": 9, + "ringSize": 9, + "connectivity": 9, + "chirality": "clockwise" + }, + "implicitHCount": 9 + }, + { + "label": "C", + "location": [ + 25.656890759022836, + -25.603360341627567, + 0 + ], + "ringBondCount": 9, + "substitutionCount": 9, + "unsaturatedAtom": true, + "hCount": 10, + "queryProperties": { + "aromaticity": "aliphatic", + "ringMembership": 9, + "ringSize": 9, + "connectivity": 9, + "chirality": "clockwise" + }, + "implicitHCount": 9 + }, + { + "label": "C", + "location": [ + 23.926424703213335, + -25.607848756914276, + 0 + ], + "ringBondCount": 9, + "substitutionCount": 9, + "unsaturatedAtom": true, + "hCount": 10, + "queryProperties": { + "aromaticity": "aliphatic", + "ringMembership": 9, + "ringSize": 9, + "connectivity": 9, + "chirality": "clockwise" + }, + "implicitHCount": 9 + }, + { + "label": "C", + "location": [ + 24.795478949537845, + -26.102908832186518, + 0 + ], + "ringBondCount": 9, + "substitutionCount": 9, + "unsaturatedAtom": true, + "hCount": 10, + "queryProperties": { + "aromaticity": "aliphatic", + "ringMembership": 9, + "ringSize": 9, + "connectivity": 9, + "chirality": "clockwise" + }, + "implicitHCount": 9 + } + ], + "bonds": [ + { + "type": 2, + "atoms": [ + 2, + 0 + ] + }, + { + "type": 1, + "atoms": [ + 0, + 4 + ] + }, + { + "type": 2, + "atoms": [ + 4, + 5 + ] + }, + { + "type": 1, + "atoms": [ + 5, + 3 + ] + }, + { + "type": 2, + "atoms": [ + 3, + 1 + ] + }, + { + "type": 1, + "atoms": [ + 1, + 2 + ] + } + ], + "stereoFlagPosition": { + "x": 25.656890759022836, + "y": -13.593391689998402, + "z": 0 + } + } +} \ No newline at end of file From af91a68627b69662df420f33e460dcfa3fe3ba75 Mon Sep 17 00:00:00 2001 From: Alexey Girin Date: Thu, 7 Mar 2024 10:33:09 +0300 Subject: [PATCH 2/3] Made requested changes (auromitize -> aromatize) --- .../aromatize-dearomatize.spec.ts | 14 +++++++------- ...uery-but-only-ordinary-1-chromium-linux.png} | Bin ...custom-query-parameters-1-chromium-linux.png | Bin 35846 -> 0 bytes ...uery-but-only-ordinary-1-chromium-linux.png} | Bin ...ustom-query-parameters-1-chromium-linux.png} | Bin 5 files changed, 7 insertions(+), 7 deletions(-) rename ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/{Aromatize-Dearomatize-Tool-User-can-DEauromati-7fadb-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png => Aromatize-Dearomatize-Tool-User-can-DEaromatiz-8c371-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png} (100%) delete mode 100644 ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-Deuromatize-molecules-with-custom-query-parameters-1-chromium-linux.png rename ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/{Aromatize-Dearomatize-Tool-User-can-auromatize-028fd-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png => Aromatize-Dearomatize-Tool-User-can-aromatize--4f29d-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png} (100%) rename ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/{Aromatize-Dearomatize-Tool-User-can-Auromatize-molecules-with-custom-query-parameters-1-chromium-linux.png => Aromatize-Dearomatize-Tool-User-can-aromatize-molecules-with-custom-query-parameters-1-chromium-linux.png} (100%) diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts index 804a4dafa8..0378f2cc38 100644 --- a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts +++ b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts @@ -380,12 +380,12 @@ test.describe('Aromatize/Dearomatize Tool', () => { expect(cmlFile).toEqual(cmlFileExpected); }); - test('User can auromatize molecules with query parameters (not custom query, but only ordinary).', async ({ + test('User can aromatize molecules with query parameters (not custom query, but only ordinary).', async ({ page, }) => { /* Test case: https://github.com/epam/ketcher/issues/3849 - Test case 1 - Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + Description: User can aromatize molecules with query parameters (not custom query, but only ordinary). 1. Clear canvas 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket 3. Press Aromatize button @@ -402,12 +402,12 @@ test.describe('Aromatize/Dearomatize Tool', () => { }); }); - test('User can DEauromatize molecules with query parameters (not custom query, but only ordinary).', async ({ + test('User can DEaromatize molecules with query parameters (not custom query, but only ordinary).', async ({ page, }) => { /* Test case: https://github.com/epam/ketcher/issues/3849 - Test case 2 - Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + Description: User can aromatize molecules with query parameters (not custom query, but only ordinary). 1. Clear canvas 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket 3. Press Aromatize button @@ -429,12 +429,12 @@ test.describe('Aromatize/Dearomatize Tool', () => { }); }); - test('User can Auromatize molecules with custom query parameters.', async ({ + test('User can aromatize molecules with custom query parameters.', async ({ page, }) => { /* Test case: https://github.com/epam/ketcher/issues/3849 - Test case 3 - Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + Description: User can aromatize molecules with query parameters (not custom query, but only ordinary). 1. Clear canvas 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket 3. Press Aromatize button @@ -458,7 +458,7 @@ test.describe('Aromatize/Dearomatize Tool', () => { }) => { /* Test case: https://github.com/epam/ketcher/issues/3849 - Test case 4 - Description: User can auromatize molecules with query parameters (not custom query, but only ordinary). + Description: User can aromatize molecules with query parameters (not custom query, but only ordinary). 1. Clear canvas 2. Open as New Project: AllPossibleQueryFeaturesWithOutCustomQuery.ket 3. Press Aromatize button diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-DEauromati-7fadb-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-DEaromatiz-8c371-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-DEauromati-7fadb-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png rename to ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-DEaromatiz-8c371-meters-not-custom-query-but-only-ordinary-1-chromium-linux.png diff --git 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diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-Auromatize-molecules-with-custom-query-parameters-1-chromium-linux.png b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-aromatize-molecules-with-custom-query-parameters-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-Auromatize-molecules-with-custom-query-parameters-1-chromium-linux.png rename to ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-aromatize-molecules-with-custom-query-parameters-1-chromium-linux.png From e13a634307541f8d1d7a32d8076f8b9aa8968745 Mon Sep 17 00:00:00 2001 From: Alexey Girin Date: Fri, 8 Mar 2024 17:09:40 +0300 Subject: [PATCH 3/3] Added fix for failed test (User can Dearomatize molecules with custom query parameters.) --- .../aromatize-dearomatize.spec.ts | 2 +- ...custom-query-parameters-1-chromium-linux.png | Bin 0 -> 35846 bytes 2 files changed, 1 insertion(+), 1 deletion(-) create mode 100644 ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts-snapshots/Aromatize-Dearomatize-Tool-User-can-Dearomatize-molecules-with-custom-query-parameters-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts index 0378f2cc38..7a04dc2b33 100644 --- a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts +++ b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/aromatize-dearomatize.spec.ts @@ -453,7 +453,7 @@ test.describe('Aromatize/Dearomatize Tool', () 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