diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts new file mode 100644 index 0000000000..0cfc5d3ef3 --- /dev/null +++ b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts @@ -0,0 +1,176 @@ +import { + test, + // expect, +} from '@playwright/test'; +import { + TopPanelButton, + openFileAndAddToCanvas, + selectTopPanelButton, + takeEditorScreenshot, + waitForPageInit, + // saveToFile, + openFile, + // receiveFileComparisonData, + // selectOptionInDropdown, + // pressButton, + selectSnakeLayoutModeTool, + chooseFileFormat, + // readFileContents, + // getFasta, +} from '@utils'; +import { turnOnMacromoleculesEditor } from '@utils/macromolecules'; + +test.describe('Import-Saving .fasta Files', () => { + test.beforeEach(async ({ page }) => { + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + }); + + // const fileTypes = ['dna', 'rna', 'peptide']; + // + // for (const fileType of fileTypes) { + // test(`Import .fasta ${fileType} file`, async ({ page }) => { + // // TODO: add selection 'RNA', 'DNA', 'Peptide' to openFileAndAddToCanvas + // await openFileAndAddToCanvas(`FASTA/fasta-${fileType}.fasta`, page); + // await takeEditorScreenshot(page); + // }); + // } + + test('Import incorrect data', async ({ page }) => { + const randomText = 'asjfnsalkfl'; + await selectTopPanelButton(TopPanelButton.Open, page); + await page.getByTestId('paste-from-clipboard-button').click(); + await page.getByTestId('open-structure-textarea').fill(randomText); + await chooseFileFormat(page, 'FASTA'); + await page.getByTestId('add-to-canvas-button').click(); + await takeEditorScreenshot(page); + }); + + // test('Import .fasta peptide and when hover to peptide', async ({ + // page, + // }) => { + // await openFileAndAddToCanvas( + // 'FASTA/fasta-peptide.fasta', + // page, + // ); + // await page.getByTestId('select-rectangle').click(); + // await page.getByText('N').locator('..').hover(); + // await takeEditorScreenshot(page); + // }); + + // test('Check import of .ket file and save in .fasta format', async ({ + // page, + // }) => { + // await openFileAndAddToCanvas('KET/rna-a.ket', page); + // const expectedFile = await getFasta(page); + // await saveToFile( + // 'FASTA/fasta-rna-a-expected.fasta', + // expectedFile, + // ); + // + // const METADATA_STRING_INDEX = [1]; + // + // const { fileExpected: fastaFileExpected, file: fastaFile } = + // await receiveFileComparisonData({ + // page, + // expectedFileName: + // 'tests/test-data/FASTA/rna-a-expected.fasta', + // metaDataIndexes: METADATA_STRING_INDEX, + // }); + // + // expect(fastaFile).toEqual(fastaFileExpected); + // + // await takeEditorScreenshot(page); + // }); + + // test('Check that empty file can be saved in .fasta format', async ({ + // page, + // }) => { + // const expectedFile = await getFasta(page); + // await saveToFile('FASTA/fasta-empty.fasta', expectedFile); + // + // const METADATA_STRING_INDEX = [1]; + // + // const { fileExpected: fastaFileExpected, file: fastaFile } = + // await receiveFileComparisonData({ + // page, + // expectedFileName: + // 'tests/test-data/FASTA/fasta-empty.fasta', + // metaDataIndexes: METADATA_STRING_INDEX, + // }); + // + // expect(fastaFile).toEqual(fastaFileExpected); + // }); + + test('Check that system does not let importing empty .fasta file', async ({ + page, + }) => { + await selectTopPanelButton(TopPanelButton.Open, page); + await openFile('FASTA/fasta-empty.fasta', page); + await page.getByText('Add to Canvas').isDisabled(); + }); + + // test('Check that system does not let uploading corrupted .fasta file', async ({ + // page, + // }) => { + // await selectTopPanelButton(TopPanelButton.Open, page); + // + // const filename = 'FASTA/fasta-corrupted.fasta'; + // await openFile(filename, page); + // await selectOptionInDropdown(filename, page); + // await pressButton(page, 'Add to Canvas'); + // await takeEditorScreenshot(page); + // }); + + test('Validate correct displaying of snake viewed RNA chain loaded from .fasta file format', async ({ + page, + }) => { + await openFileAndAddToCanvas('FASTA/fasta-snake-mode-rna.fasta', page); + await selectSnakeLayoutModeTool(page); + await takeEditorScreenshot(page); + }); + + // test('Check that you can save snake viewed chain of peptides in a .fasta file', async ({ + // page, + // }) => { + // await openFileAndAddToCanvas( + // 'FASTA/fasta-snake-mode-peptides.fasta', + // page, + // ); + // await selectSnakeLayoutModeTool(page); + // const expectedFile = await getFasta(page); + // await saveToFile( + // 'FASTA/fasta-snake-mode-peptides-expected.fasta', + // expectedFile, + // ); + // + // const METADATA_STRING_INDEX = [1]; + // + // const { fileExpected: molFileExpected, file: molFile } = + // await receiveFileComparisonData({ + // page, + // expectedFileName: + // 'tests/test-data/FASTA/fasta-snake-mode-peptides-expected.fasta', + // metaDataIndexes: METADATA_STRING_INDEX, + // }); + // + // expect(molFile).toEqual(molFileExpected); + // }); + + // test('Export to .fasta file', async ({ page }) => { + // await openFileAndAddToCanvas('KET/rna-a.ket', page); + // await selectTopPanelButton(TopPanelButton.Save, page); + // await chooseFileFormat(page, 'FASTA'); + // await page + // .getByTestId('dropdown-select') + // .getByRole('combobox') + // .allInnerTexts(); + // + // const textArea = page.getByTestId('preview-area-text'); + // const file = await readFileContents( + // 'tests/test-data/FASTA/fasta-rna-a.fasta', + // ); + // const valueInTextarea = await textArea.inputValue(); + // await expect(valueInTextarea).toBe(file); + // }); +}); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Import-incorrect-data-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Import-incorrect-data-1-chromium-linux.png new file mode 100644 index 0000000000..c2c8b1aefb Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Import-incorrect-data-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Validate-correct-di-57433-ewed-RNA-chain-loaded-from-fasta-file-format-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Validate-correct-di-57433-ewed-RNA-chain-loaded-from-fasta-file-format-1-chromium-linux.png new file mode 100644 index 0000000000..1a832b12eb Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-fasta.spec.ts-snapshots/Import-Saving-fasta-Files-Validate-correct-di-57433-ewed-RNA-chain-loaded-from-fasta-file-format-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts new file mode 100644 index 0000000000..72d08d0412 --- /dev/null +++ b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts @@ -0,0 +1,455 @@ +import { test, expect } from '@playwright/test'; +import { + TopPanelButton, + moveMouseAway, + openFileAndAddToCanvas, + takeEditorScreenshot, + waitForPageInit, + getKet, + saveToFile, + receiveFileComparisonData, + waitForRender, + selectTopPanelButton, + openFile, + pressButton, + selectSnakeLayoutModeTool, + turnOnMicromoleculesEditor, +} from '@utils'; +import { turnOnMacromoleculesEditor } from '@utils/macromolecules'; + +test.describe('Import-Saving .ket Files', () => { + test.beforeEach(async ({ page }) => { + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + }); + + test('Open ket file with monomers and bonds', async ({ page }) => { + /* + Test case: #3230 - Support parsing KET file for macromolecules on ketcher side + Description: Ket Deserialize + */ + await openFileAndAddToCanvas('KET/monomers-with-bonds.ket', page); + await moveMouseAway(page); + await takeEditorScreenshot(page); + }); + + test('Check save and open of file with 50 monomers saved in KET format', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: Structure in center of canvas after opening + The structure does not fit on the canvas when opened, and to + see the whole picture in this test and in future ones, zoom is used + */ + await openFileAndAddToCanvas('KET/fifty-monomers.ket', page); + const expectedFile = await getKet(page); + await saveToFile('KET/fifty-monomers-expected.ket', expectedFile); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: 'tests/test-data/KET/fifty-monomers-expected.ket', + }); + + expect(ketFile).toEqual(ketFileExpected); + + const numberOfPressZoomOut = 6; + for (let i = 0; i < numberOfPressZoomOut; i++) { + await waitForRender(page, async () => { + await page.getByTestId('zoom-out-button').click(); + }); + } + await takeEditorScreenshot(page); + }); + + test('Check save and open of file with 100 monomers saved in KET format', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: Structure in center of canvas after opening + */ + await openFileAndAddToCanvas('KET/hundred-monomers.ket', page); + const expectedFile = await getKet(page); + await saveToFile('KET/hundred-monomers-expected.ket', expectedFile); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: 'tests/test-data/KET/hundred-monomers-expected.ket', + }); + + expect(ketFile).toEqual(ketFileExpected); + + const numberOfPressZoomOut = 7; + for (let i = 0; i < numberOfPressZoomOut; i++) { + await waitForRender(page, async () => { + await page.getByTestId('zoom-out-button').click(); + }); + } + await takeEditorScreenshot(page); + }); + + test('Check that empty file can be saved in .ket format', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: Empty file can be saved in .ket format + */ + const expectedFile = await getKet(page); + await saveToFile('KET/empty-canvas-expected.ket', expectedFile); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: 'tests/test-data/KET/empty-canvas-expected.ket', + }); + + expect(ketFile).toEqual(ketFileExpected); + }); + + test('Check that system does not let importing empty .ket file', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: System does not let importing empty .ket file + */ + await selectTopPanelButton(TopPanelButton.Open, page); + await openFile('KET/empty-file.ket', page); + await page.getByText('Add to Canvas').isDisabled(); + }); + + test('Check that system does not let uploading corrupted .ket file', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: System does not let uploading corrupted .ket file + */ + await selectTopPanelButton(TopPanelButton.Open, page); + await openFile('KET/corrupted-file.ket', page); + await pressButton(page, 'Add to Canvas'); + await takeEditorScreenshot(page); + }); + + test('Validate correct displaying of snake viewed peptide chain loaded from .ket file format', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: Sequence of Peptides displaying according to snake view mockup. + */ + await openFileAndAddToCanvas('KET/snake-mode-peptides.ket', page); + await selectSnakeLayoutModeTool(page); + await takeEditorScreenshot(page); + }); + + test('Check that .ket file with macro structures is imported correctly in macro mode when saving it in micro mode', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: .ket file with macro structures is imported correctly in macro mode when saving it in micro mode + */ + await openFileAndAddToCanvas('KET/monomers-saved-in-micro-mode.ket', page); + await takeEditorScreenshot(page); + }); + + test('Check that macro .ket file can be imported in micro mode', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: .ket file imported in micro mode + */ + await turnOnMicromoleculesEditor(page); + await openFileAndAddToCanvas('KET/monomers-saved-in-macro-mode.ket', page); + await takeEditorScreenshot(page); + }); + + test('Check that RNA preset in not changing after saving and importing it as .ket file', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: .ket file with macro structures is imported correctly in macro mode + */ + await openFileAndAddToCanvas('KET/three-presets.ket', page); + await takeEditorScreenshot(page); + }); + + test('Check that CHEMs in not changing after saving and importing it as .ket file', async ({ + page, + }) => { + /* + Test case: Import/Saving files + Description: .ket file with macro structures is imported correctly in macro mode. + */ + await openFileAndAddToCanvas('KET/three-chems-connected.ket', page); + await takeEditorScreenshot(page); + }); +}); + +test.describe('Base monomers on the canvas, their connection points and preview tooltips', () => { + /* + Test case: https://github.com/epam/ketcher/issues/3780 + Description: These bunch of tests validates that system correctly load every type of monomer + (Base) from ket file, correctly show them on canvas (name, shape, color), + shows correct number or connections and shows correct preview tooltip + */ + test.beforeEach(async ({ page }) => { + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + }); + + const fileNames = [ + '01 - (R1) - Left only', + '04 - (R1,R2) - R3 gap', + '05 - (R1,R3) - R2 gap', + '08 - (R1,R2,R3)', + '09 - (R1,R3,R4)', + '12 - (R1,R2,R3,R4)', + '13 - (R1,R3,R4,R5)', + '15 - (R1,R2,R3,R4,R5)', + ]; + + for (const fileName of fileNames) { + test(`for ${fileName}`, async ({ page }) => { + await openFileAndAddToCanvas(`KET/Base-Templates/${fileName}.ket`, page); + await page.getByTestId('single-bond').click(); + await page.getByText('R1').locator('..').hover(); + await takeEditorScreenshot(page); + + const expectedFile = await getKet(page); + await saveToFile( + `KET/Base-Templates/${fileName}-expected.ket`, + expectedFile, + ); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: `tests/test-data/KET/Base-Templates/${fileName}-expected.ket`, + }); + + expect(ketFile).toEqual(ketFileExpected); + }); + } +}); + +test.describe('CHEM monomers on the canvas, their connection points and preview tooltips', () => { + /* + Test case: https://github.com/epam/ketcher/issues/3780 + Description: These bunch of tests validates that system correctly load every type of monomer + (CHEM) from ket file, correctly show them on canvas (name, shape, color), + shows correct number or connections and shows correct preview tooltip + */ + test.beforeEach(async ({ page }) => { + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + }); + + const fileNames = [ + '01 - (R1) - Left only', + '02 - (R2) - Right only', + '03 - (R3) - Side only', + '04 - (R1,R2) - R3 gap', + '05 - (R1,R3) - R2 gap', + '06 - (R2,R3) - R1 gap', + '07 - (R3,R4)', + '08 - (R1,R2,R3)', + '09 - (R1,R3,R4)', + '10 - (R2,R3,R4)', + '11 - (R3,R4,R5)', + '12 - (R1,R2,R3,R4)', + '13 - (R1,R3,R4,R5)', + '14 - (R2,R3,R4,R5)', + '15 - (R1,R2,R3,R4,R5)', + ]; + + for (const fileName of fileNames) { + test(`for ${fileName}`, async ({ page }) => { + await openFileAndAddToCanvas(`KET/CHEM-Templates/${fileName}.ket`, page); + await page.getByTestId('single-bond').click(); + await page.getByText('(R').locator('..').first().hover(); + await takeEditorScreenshot(page); + + const expectedFile = await getKet(page); + await saveToFile( + `KET/CHEM-Templates/${fileName}-expected.ket`, + expectedFile, + ); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: `tests/test-data/KET/CHEM-Templates/${fileName}-expected.ket`, + }); + + expect(ketFile).toEqual(ketFileExpected); + }); + } +}); + +test.describe('Peptide monomers on the canvas, their connection points and preview tooltips', () => { + /* + Test case: https://github.com/epam/ketcher/issues/3780 + Description: These bunch of tests validates that system correctly load every type of monomer + (Peptide) from ket file, correctly show them on canvas (name, shape, color), + shows correct number or connections and shows correct preview tooltip + */ + test.beforeEach(async ({ page }) => { + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + }); + + const fileNames = [ + '01 - (R1) - Left only', + '02 - (R2) - Right only', + '03 - (R3) - Side only', + '04 - (R1,R2) - R3 gap', + '05 - (R1,R3) - R2 gap', + '06 - (R2,R3) - R1 gap', + '07 - (R3,R4)', + '08 - (R1,R2,R3)', + '09 - (R1,R3,R4)', + '10 - (R2,R3,R4)', + '11 - (R3,R4,R5)', + '12 - (R1,R2,R3,R4)', + '13 - (R1,R3,R4,R5)', + '14 - (R2,R3,R4,R5)', + '15 - (R1,R2,R3,R4,R5)', + ]; + + for (const fileName of fileNames) { + test(`for ${fileName}`, async ({ page }) => { + await openFileAndAddToCanvas( + `KET/Peptide-Templates/${fileName}.ket`, + page, + ); + await page.getByTestId('single-bond').click(); + await page.getByText('(R').locator('..').first().hover(); + await takeEditorScreenshot(page); + + const expectedFile = await getKet(page); + await saveToFile( + `KET/Peptide-Templates/${fileName}-expected.ket`, + expectedFile, + ); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: `tests/test-data/KET/Peptide-Templates/${fileName}-expected.ket`, + }); + + expect(ketFile).toEqual(ketFileExpected); + }); + } +}); + +test.describe('Phosphate monomers on the canvas, their connection points and preview tooltips', () => { + /* + Test case: https://github.com/epam/ketcher/issues/3780 + Description: These bunch of tests validates that system correctly load every type of monomer + (Phosphate) from ket file, correctly show them on canvas (name, shape, color), + shows correct number or connections and shows correct preview tooltip + */ + test.beforeEach(async ({ page }) => { + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + }); + + const fileNames = [ + '01 - (R1) - Left only', + '02 - (R2) - Right only', + '03 - (R3) - Side only', + '04 - (R1,R2) - R3 gap', + '05 - (R1,R3) - R2 gap', + '06 - (R2,R3) - R1 gap', + '07 - (R3,R4)', + '08 - (R1,R2,R3)', + '09 - (R1,R3,R4)', + '10 - (R2,R3,R4)', + '11 - (R3,R4,R5)', + '12 - (R1,R2,R3,R4)', + '13 - (R1,R3,R4,R5)', + '14 - (R2,R3,R4,R5)', + '15 - (R1,R2,R3,R4,R5)', + ]; + + for (const fileName of fileNames) { + test(`for ${fileName}`, async ({ page }) => { + await openFileAndAddToCanvas( + `KET/Phosphate-Templates/${fileName}.ket`, + page, + ); + await page.getByTestId('single-bond').click(); + await page.getByText('(R').locator('..').first().hover(); + await takeEditorScreenshot(page); + + const expectedFile = await getKet(page); + await saveToFile( + `KET/Phosphate-Templates/${fileName}-expected.ket`, + expectedFile, + ); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: `tests/test-data/KET/Phosphate-Templates/${fileName}-expected.ket`, + }); + + expect(ketFile).toEqual(ketFileExpected); + }); + } +}); + +test.describe('Sugar monomers on the canvas, their connection points and preview tooltips', () => { + /* + Test case: https://github.com/epam/ketcher/issues/3780 + Description: These bunch of tests validates that system correctly load every type of monomer + (Sugar) from ket file, correctly show them on canvas (name, shape, color), + shows correct number or connections and shows correct preview tooltip + */ + test.beforeEach(async ({ page }) => { + await waitForPageInit(page); + await turnOnMacromoleculesEditor(page); + }); + + const fileNames = [ + '01 - (R1) - Left only', + '02 - (R2) - Right only', + '03 - (R3) - Side only', + '04 - (R1,R2) - R3 gap', + '05 - (R1,R3) - R2 gap', + '06 - (R2,R3) - R1 gap', + '07 - (R3,R4)', + '08 - (R1,R2,R3)', + '09 - (R1,R3,R4)', + '10 - (R2,R3,R4)', + '11 - (R3,R4,R5)', + '12 - (R1,R2,R3,R4)', + '13 - (R1,R3,R4,R5)', + '14 - (R2,R3,R4,R5)', + '15 - (R1,R2,R3,R4,R5)', + ]; + + for (const fileName of fileNames) { + test(`for ${fileName}`, async ({ page }) => { + await openFileAndAddToCanvas(`KET/Sugar-Templates/${fileName}.ket`, page); + await page.getByTestId('single-bond').click(); + await page.getByText('(R').locator('..').first().hover(); + await takeEditorScreenshot(page); + + const expectedFile = await getKet(page); + await saveToFile( + `KET/Sugar-Templates/${fileName}-expected.ket`, + expectedFile, + ); + const { file: ketFile, fileExpected: ketFileExpected } = + await receiveFileComparisonData({ + page, + expectedFileName: `tests/test-data/KET/Sugar-Templates/${fileName}-expected.ket`, + }); + + expect(ketFile).toEqual(ketFileExpected); + }); + } +}); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--27f55-nd-preview-tooltips-for-05---R1-R3---R2-gap-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--27f55-nd-preview-tooltips-for-05---R1-R3---R2-gap-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--27f55-nd-preview-tooltips-for-05---R1-R3---R2-gap-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--27f55-nd-preview-tooltips-for-05---R1-R3---R2-gap-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--52330-nd-preview-tooltips-for-01---R1---Left-only-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--52330-nd-preview-tooltips-for-01---R1---Left-only-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--52330-nd-preview-tooltips-for-01---R1---Left-only-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--52330-nd-preview-tooltips-for-01---R1---Left-only-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--87959-nd-preview-tooltips-for-04---R1-R2---R3-gap-1-chromium-linux.png 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ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-07---R3-R4-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-07---R3-R4-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-08---R1-R2-R3-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-08---R1-R2-R3-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-08---R1-R2-R3-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-08---R1-R2-R3-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-09---R1-R3-R4-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-09---R1-R3-R4-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-09---R1-R3-R4-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-09---R1-R3-R4-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-10---R2-R3-R4-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-10---R2-R3-R4-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-10---R2-R3-R4-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-10---R2-R3-R4-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-11---R3-R4-R5-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-11---R3-R4-R5-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-11---R3-R4-R5-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-11---R3-R4-R5-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-12---R1-R2-R3-R4-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-12---R1-R2-R3-R4-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-12---R1-R2-R3-R4-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-12---R1-R2-R3-R4-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-13---R1-R3-R4-R5-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-13---R1-R3-R4-R5-1-chromium-linux.png similarity index 100% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-13---R1-R3-R4-R5-1-chromium-linux.png rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-13---R1-R3-R4-R5-1-chromium-linux.png diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-14---R2-R3-R4-R5-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-14---R2-R3-R4-R5-1-chromium-linux.png new file mode 100644 index 0000000000..627b81dee3 Binary files /dev/null and b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-ket.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-14---R2-R3-R4-R5-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-mol.spec.ts similarity index 59% rename from ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts rename to ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-mol.spec.ts index 8fd261362c..272fe47939 100644 --- a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts +++ b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving-mol.spec.ts @@ -1,36 +1,97 @@ -import { - turnOnMacromoleculesEditor, - turnOnMicromoleculesEditor, -} from '@utils/macromolecules'; import { test, expect } from '@playwright/test'; import { TopPanelButton, - getKet, - getMolfile, - openFile, + clickInTheMiddleOfTheScreen, openFileAndAddToCanvas, - pressButton, - receiveFileComparisonData, - saveToFile, - selectEraseTool, - selectOptionInDropdown, + openFromFileViaClipboard, + readFileContents, selectTopPanelButton, takeEditorScreenshot, waitForPageInit, + getMolfile, + saveToFile, + openFile, + receiveFileComparisonData, waitForRender, + selectEraseTool, + selectOptionInDropdown, + pressButton, selectSnakeLayoutModeTool, + turnOnMicromoleculesEditor, } from '@utils'; +import { + chooseFileFormat, + turnOnMacromoleculesEditor, +} from '@utils/macromolecules'; + +function removeNotComparableData(file: string) { + return file + .split('\n') + .filter((_, lineNumber) => lineNumber !== 1) + .join('\n'); +} -test.describe('Import-Saving-Files', () => { +const topLeftCorner = -300; + +test.describe('Import-Saving .mol Files', () => { test.beforeEach(async ({ page }) => { await waitForPageInit(page); await turnOnMacromoleculesEditor(page); }); + test('Import monomers and chem', async ({ page }) => { + await openFileAndAddToCanvas( + 'Molfiles-V3000/monomers-and-chem.mol', + page, + topLeftCorner, + topLeftCorner, + ); + await takeEditorScreenshot(page); + }); + + test('Import monomers and chem with clipboard', async ({ page }) => { + await selectTopPanelButton(TopPanelButton.Open, page); + await openFromFileViaClipboard( + 'tests/test-data/Molfiles-V3000/monomers-and-chem.mol', + page, + ); + await clickInTheMiddleOfTheScreen(page); + await takeEditorScreenshot(page); + }); + + test('Import incorrect data', async ({ page }) => { + const randomText = 'asjfnsalkfl'; + await selectTopPanelButton(TopPanelButton.Open, page); + await page.getByTestId('paste-from-clipboard-button').click(); + await page.getByTestId('open-structure-textarea').fill(randomText); + await page.getByTestId('add-to-canvas-button').click(); + await takeEditorScreenshot(page); + }); + + test('Export monomers and chem', async ({ page }) => { + await openFileAndAddToCanvas('KET/monomers-and-chem.ket', page); + await selectTopPanelButton(TopPanelButton.Save, page); + await chooseFileFormat(page, 'MDL Molfile V3000'); + await page + .getByTestId('dropdown-select') + .getByRole('combobox') + .allInnerTexts(); + + const textArea = page.getByTestId('preview-area-text'); + const file = await readFileContents( + 'tests/test-data/Molfiles-V3000/monomers-and-chem.mol', + ); + const expectedData = removeNotComparableData(file); + const valueInTextarea = removeNotComparableData( + await textArea.inputValue(), + ); + await expect(valueInTextarea).toBe(expectedData); + }); + test('After opening a file in macro mode, structure is in center of the screen and no need scroll to find it', async ({ page, }) => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3666 Description: Structure in center of canvas after opening */ @@ -41,7 +102,7 @@ test.describe('Import-Saving-Files', () => { test('Monomers are not stacked, easy to read, colors and preview match with Ketcher library after importing a file', async ({ page, }) => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3667 https://github.com/epam/ketcher/issues/3668 Description: Monomers are not stacked, easy to read, colors and preview match with Ketcher library after importing a file @@ -54,9 +115,9 @@ test.describe('Import-Saving-Files', () => { test('After importing a file with modified monomers, it is clear which monomer is modified, and when hovering, preview display changes made during modification', async ({ page, }) => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3669 - Description: After importing a file with modified monomers, it is clear which monomer is modified, + Description: After importing a file with modified monomers, it is clear which monomer is modified, and when hovering, preview display changes made during modification */ await openFileAndAddToCanvas( @@ -72,9 +133,9 @@ test.describe('Import-Saving-Files', () => { for (const fileType of fileTypes) { test(`Import ${fileType.toUpperCase()} file`, async ({ page }) => { - /* + /* Test case: Import/Saving files - Description: Imported DNA file opens without errors. + Description: Imported DNA file opens without errors. DNA contains the nitrogen bases adenine (A), thymine (T) for DNA, uracil (U) for RNA, cytosine (C), and guanine (G). In RNA, thymine (T) is replaced by uracil (U). We have bug https://github.com/epam/ketcher/issues/3383 @@ -84,66 +145,10 @@ test.describe('Import-Saving-Files', () => { }); } - test('Check save and open of file with 50 monomers saved in KET format', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: Structure in center of canvas after opening - The structure does not fit on the canvas when opened, and to - see the whole picture in this test and in future ones, zoom is used - */ - await openFileAndAddToCanvas('KET/fifty-monomers.ket', page); - const expectedFile = await getKet(page); - await saveToFile('KET/fifty-monomers-expected.ket', expectedFile); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: 'tests/test-data/KET/fifty-monomers-expected.ket', - }); - - expect(ketFile).toEqual(ketFileExpected); - - const numberOfPressZoomOut = 6; - for (let i = 0; i < numberOfPressZoomOut; i++) { - await waitForRender(page, async () => { - await page.getByTestId('zoom-out-button').click(); - }); - } - await takeEditorScreenshot(page); - }); - - test('Check save and open of file with 100 monomers saved in KET format', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: Structure in center of canvas after opening - */ - await openFileAndAddToCanvas('KET/hundred-monomers.ket', page); - const expectedFile = await getKet(page); - await saveToFile('KET/hundred-monomers-expected.ket', expectedFile); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: 'tests/test-data/KET/hundred-monomers-expected.ket', - }); - - expect(ketFile).toEqual(ketFileExpected); - - const numberOfPressZoomOut = 7; - for (let i = 0; i < numberOfPressZoomOut; i++) { - await waitForRender(page, async () => { - await page.getByTestId('zoom-out-button').click(); - }); - } - await takeEditorScreenshot(page); - }); - test('Check import of file with 50 monomers and save in MOL V3000 format', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: Structure in center of canvas after opening */ @@ -179,7 +184,7 @@ test.describe('Import-Saving-Files', () => { test('Check import of file with 100 monomers and save in MOL V3000 format', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: Structure in center of canvas after opening */ @@ -226,28 +231,10 @@ test.describe('Import-Saving-Files', () => { }); } - test('Check that empty file can be saved in .ket format', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: Empty file can be saved in .ket format - */ - const expectedFile = await getKet(page); - await saveToFile('KET/empty-canvas-expected.ket', expectedFile); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: 'tests/test-data/KET/empty-canvas-expected.ket', - }); - - expect(ketFile).toEqual(ketFileExpected); - }); - test('Check that empty file can be saved in .mol format', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: Empty file can be saved in .mol format */ @@ -267,22 +254,10 @@ test.describe('Import-Saving-Files', () => { expect(molFile).toEqual(molFileExpected); }); - test('Check that system does not let importing empty .ket file', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: System does not let importing empty .ket file - */ - await selectTopPanelButton(TopPanelButton.Open, page); - await openFile('KET/empty-file.ket', page); - await page.getByText('Add to Canvas').isDisabled(); - }); - test('Check that system does not let importing empty .mol file', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: System does not let importing empty .mol file */ @@ -291,23 +266,10 @@ test.describe('Import-Saving-Files', () => { await page.getByText('Add to Canvas').isDisabled(); }); - test('Check that system does not let uploading corrupted .ket file', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: System does not let uploading corrupted .ket file - */ - await selectTopPanelButton(TopPanelButton.Open, page); - await openFile('KET/corrupted-file.ket', page); - await pressButton(page, 'Add to Canvas'); - await takeEditorScreenshot(page); - }); - test('Check that system does not let uploading corrupted .mol file', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: System does not let uploading corrupted .mol file */ @@ -320,22 +282,10 @@ test.describe('Import-Saving-Files', () => { await takeEditorScreenshot(page); }); - test('Validate correct displaying of snake viewed peptide chain loaded from .ket file format', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: Sequence of Peptides displaying according to snake view mockup. - */ - await openFileAndAddToCanvas('KET/snake-mode-peptides.ket', page); - await selectSnakeLayoutModeTool(page); - await takeEditorScreenshot(page); - }); - test('Validate correct displaying of snake viewed peptide chain loaded from .mol file format', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: Sequence of Peptides displaying according to snake view mockup. */ @@ -350,7 +300,7 @@ test.describe('Import-Saving-Files', () => { test('Check that you can save snake viewed chain of peptides in a Mol v3000 file', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: Snake viewed chain of peptides saved in a Mol v3000 file */ @@ -378,21 +328,10 @@ test.describe('Import-Saving-Files', () => { expect(molFile).toEqual(molFileExpected); }); - test('Check that .ket file with macro structures is imported correctly in macro mode when saving it in micro mode', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: .ket file with macro structures is imported correctly in macro mode when saving it in micro mode - */ - await openFileAndAddToCanvas('KET/monomers-saved-in-micro-mode.ket', page); - await takeEditorScreenshot(page); - }); - test('Check that .mol file with macro structures is imported correctly in macro mode when saving it in micro mode', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: .mol file with macro structures is imported correctly in macro mode when saving it in micro mode */ @@ -403,22 +342,10 @@ test.describe('Import-Saving-Files', () => { await takeEditorScreenshot(page); }); - test('Check that macro .ket file can be imported in micro mode', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: .ket file imported in micro mode - */ - await turnOnMicromoleculesEditor(page); - await openFileAndAddToCanvas('KET/monomers-saved-in-macro-mode.ket', page); - await takeEditorScreenshot(page); - }); - test('Check that macro .mol file can be imported in micro mode', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: .mol file imported in micro mode */ @@ -430,21 +357,10 @@ test.describe('Import-Saving-Files', () => { await takeEditorScreenshot(page); }); - test('Check that RNA preset in not changing after saving and importing it as .ket file', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: .ket file with macro structures is imported correctly in macro mode - */ - await openFileAndAddToCanvas('KET/three-presets.ket', page); - await takeEditorScreenshot(page); - }); - test('Check that RNA preset in not changing after saving and importing it as .mol file', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: .mol file with macro structures is imported correctly in macro mode */ @@ -452,21 +368,10 @@ test.describe('Import-Saving-Files', () => { await takeEditorScreenshot(page); }); - test('Check that CHEMs in not changing after saving and importing it as .ket file', async ({ - page, - }) => { - /* - Test case: Import/Saving files - Description: .ket file with macro structures is imported correctly in macro mode. - */ - await openFileAndAddToCanvas('KET/three-chems-connected.ket', page); - await takeEditorScreenshot(page); - }); - test('Check that CHEMs in not changing after saving and importing it as .mol file', async ({ page, }) => { - /* + /* Test case: Import/Saving files Description: .mol file with macro structures is imported correctly in macro mode. */ @@ -516,275 +421,11 @@ test.describe('Import modified .mol files from external editor', () => { } }); -test.describe('Base monomers on the canvas, their connection points and preview tooltips', () => { - /* - Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Base) from ket file, correctly show them on canvas (name, shape, color), - shows correct number or connections and shows correct preview tooltip - */ - test.beforeEach(async ({ page }) => { - await waitForPageInit(page); - await turnOnMacromoleculesEditor(page); - }); - - const fileNames = [ - '01 - (R1) - Left only', - '04 - (R1,R2) - R3 gap', - '05 - (R1,R3) - R2 gap', - '08 - (R1,R2,R3)', - '09 - (R1,R3,R4)', - '12 - (R1,R2,R3,R4)', - '13 - (R1,R3,R4,R5)', - '15 - (R1,R2,R3,R4,R5)', - ]; - - for (const fileName of fileNames) { - test(`for ${fileName}`, async ({ page }) => { - await openFileAndAddToCanvas(`KET/Base-Templates/${fileName}.ket`, page); - await page.getByTestId('single-bond').click(); - await page.getByText('R1').locator('..').hover(); - await takeEditorScreenshot(page); - - const expectedFile = await getKet(page); - await saveToFile( - `KET/Base-Templates/${fileName}-expected.ket`, - expectedFile, - ); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: `tests/test-data/KET/Base-Templates/${fileName}-expected.ket`, - }); - - expect(ketFile).toEqual(ketFileExpected); - }); - } -}); - -test.describe('CHEM monomers on the canvas, their connection points and preview tooltips', () => { - /* - Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (CHEM) from ket file, correctly show them on canvas (name, shape, color), - shows correct number or connections and shows correct preview tooltip - */ - test.beforeEach(async ({ page }) => { - await waitForPageInit(page); - await turnOnMacromoleculesEditor(page); - }); - - const fileNames = [ - '01 - (R1) - Left only', - '02 - (R2) - Right only', - '03 - (R3) - Side only', - '04 - (R1,R2) - R3 gap', - '05 - (R1,R3) - R2 gap', - '06 - (R2,R3) - R1 gap', - '07 - (R3,R4)', - '08 - (R1,R2,R3)', - '09 - (R1,R3,R4)', - '10 - (R2,R3,R4)', - '11 - (R3,R4,R5)', - '12 - (R1,R2,R3,R4)', - '13 - (R1,R3,R4,R5)', - '14 - (R2,R3,R4,R5)', - '15 - (R1,R2,R3,R4,R5)', - ]; - - for (const fileName of fileNames) { - test(`for ${fileName}`, async ({ page }) => { - await openFileAndAddToCanvas(`KET/CHEM-Templates/${fileName}.ket`, page); - await page.getByTestId('single-bond').click(); - await page.getByText('(R').locator('..').first().hover(); - await takeEditorScreenshot(page); - - const expectedFile = await getKet(page); - await saveToFile( - `KET/CHEM-Templates/${fileName}-expected.ket`, - expectedFile, - ); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: `tests/test-data/KET/CHEM-Templates/${fileName}-expected.ket`, - }); - - expect(ketFile).toEqual(ketFileExpected); - }); - } -}); - -test.describe('Peptide monomers on the canvas, their connection points and preview tooltips', () => { - /* - Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Peptide) from ket file, correctly show them on canvas (name, shape, color), - shows correct number or connections and shows correct preview tooltip - */ - test.beforeEach(async ({ page }) => { - await waitForPageInit(page); - await turnOnMacromoleculesEditor(page); - }); - - const fileNames = [ - '01 - (R1) - Left only', - '02 - (R2) - Right only', - '03 - (R3) - Side only', - '04 - (R1,R2) - R3 gap', - '05 - (R1,R3) - R2 gap', - '06 - (R2,R3) - R1 gap', - '07 - (R3,R4)', - '08 - (R1,R2,R3)', - '09 - (R1,R3,R4)', - '10 - (R2,R3,R4)', - '11 - (R3,R4,R5)', - '12 - (R1,R2,R3,R4)', - '13 - (R1,R3,R4,R5)', - '14 - (R2,R3,R4,R5)', - '15 - (R1,R2,R3,R4,R5)', - ]; - - for (const fileName of fileNames) { - test(`for ${fileName}`, async ({ page }) => { - await openFileAndAddToCanvas( - `KET/Peptide-Templates/${fileName}.ket`, - page, - ); - await page.getByTestId('single-bond').click(); - await page.getByText('(R').locator('..').first().hover(); - await takeEditorScreenshot(page); - - const expectedFile = await getKet(page); - await saveToFile( - `KET/Peptide-Templates/${fileName}-expected.ket`, - expectedFile, - ); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: `tests/test-data/KET/Peptide-Templates/${fileName}-expected.ket`, - }); - - expect(ketFile).toEqual(ketFileExpected); - }); - } -}); - -test.describe('Phosphate monomers on the canvas, their connection points and preview tooltips', () => { - /* - Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Phosphate) from ket file, correctly show them on canvas (name, shape, color), - shows correct number or connections and shows correct preview tooltip - */ - test.beforeEach(async ({ page }) => { - await waitForPageInit(page); - await turnOnMacromoleculesEditor(page); - }); - - const fileNames = [ - '01 - (R1) - Left only', - '02 - (R2) - Right only', - '03 - (R3) - Side only', - '04 - (R1,R2) - R3 gap', - '05 - (R1,R3) - R2 gap', - '06 - (R2,R3) - R1 gap', - '07 - (R3,R4)', - '08 - (R1,R2,R3)', - '09 - (R1,R3,R4)', - '10 - (R2,R3,R4)', - '11 - (R3,R4,R5)', - '12 - (R1,R2,R3,R4)', - '13 - (R1,R3,R4,R5)', - '14 - (R2,R3,R4,R5)', - '15 - (R1,R2,R3,R4,R5)', - ]; - - for (const fileName of fileNames) { - test(`for ${fileName}`, async ({ page }) => { - await openFileAndAddToCanvas( - `KET/Phosphate-Templates/${fileName}.ket`, - page, - ); - await page.getByTestId('single-bond').click(); - await page.getByText('(R').locator('..').first().hover(); - await takeEditorScreenshot(page); - - const expectedFile = await getKet(page); - await saveToFile( - `KET/Phosphate-Templates/${fileName}-expected.ket`, - expectedFile, - ); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: `tests/test-data/KET/Phosphate-Templates/${fileName}-expected.ket`, - }); - - expect(ketFile).toEqual(ketFileExpected); - }); - } -}); - -test.describe('Sugar monomers on the canvas, their connection points and preview tooltips', () => { - /* - Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Sugar) from ket file, correctly show them on canvas (name, shape, color), - shows correct number or connections and shows correct preview tooltip - */ - test.beforeEach(async ({ page }) => { - await waitForPageInit(page); - await turnOnMacromoleculesEditor(page); - }); - - const fileNames = [ - '01 - (R1) - Left only', - '02 - (R2) - Right only', - '03 - (R3) - Side only', - '04 - (R1,R2) - R3 gap', - '05 - (R1,R3) - R2 gap', - '06 - (R2,R3) - R1 gap', - '07 - (R3,R4)', - '08 - (R1,R2,R3)', - '09 - (R1,R3,R4)', - '10 - (R2,R3,R4)', - '11 - (R3,R4,R5)', - '12 - (R1,R2,R3,R4)', - '13 - (R1,R3,R4,R5)', - '14 - (R2,R3,R4,R5)', - '15 - (R1,R2,R3,R4,R5)', - ]; - - for (const fileName of fileNames) { - test(`for ${fileName}`, async ({ page }) => { - await openFileAndAddToCanvas(`KET/Sugar-Templates/${fileName}.ket`, page); - await page.getByTestId('single-bond').click(); - await page.getByText('(R').locator('..').first().hover(); - await takeEditorScreenshot(page); - - const expectedFile = await getKet(page); - await saveToFile( - `KET/Sugar-Templates/${fileName}-expected.ket`, - expectedFile, - ); - const { file: ketFile, fileExpected: ketFileExpected } = - await receiveFileComparisonData({ - page, - expectedFileName: `tests/test-data/KET/Sugar-Templates/${fileName}-expected.ket`, - }); - - expect(ketFile).toEqual(ketFileExpected); - }); - } -}); - test.describe('Base monomers on the canvas, their connection points and preview tooltips(from .mol file)', () => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Base) from .mol file, correctly show them on canvas (name, shape, color), + Description: These bunch of tests validates that system correctly load every type of monomer + (Base) from .mol file, correctly show them on canvas (name, shape, color), shows correct number or connections and shows correct preview tooltip */ test.beforeEach(async ({ page }) => { @@ -832,10 +473,10 @@ test.describe('Base monomers on the canvas, their connection points and preview }); test.describe('CHEM monomers on the canvas, their connection points and preview tooltips(from .mol file)', () => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (CHEM) from .mol file, correctly show them on canvas (name, shape, color), + Description: These bunch of tests validates that system correctly load every type of monomer + (CHEM) from .mol file, correctly show them on canvas (name, shape, color), shows correct number or connections and shows correct preview tooltip */ test.beforeEach(async ({ page }) => { @@ -890,10 +531,10 @@ test.describe('CHEM monomers on the canvas, their connection points and preview }); test.describe('Peptide monomers on the canvas, their connection points and preview tooltips(from .mol file)', () => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Peptide) from .mol file, correctly show them on canvas (name, shape, color), + Description: These bunch of tests validates that system correctly load every type of monomer + (Peptide) from .mol file, correctly show them on canvas (name, shape, color), shows correct number or connections and shows correct preview tooltip */ test.beforeEach(async ({ page }) => { @@ -948,10 +589,10 @@ test.describe('Peptide monomers on the canvas, their connection points and previ }); test.describe('Phosphate monomers on the canvas, their connection points and preview tooltips(from .mol file)', () => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Phosphate) from .mol file, correctly show them on canvas (name, shape, color), + Description: These bunch of tests validates that system correctly load every type of monomer + (Phosphate) from .mol file, correctly show them on canvas (name, shape, color), shows correct number or connections and shows correct preview tooltip */ test.beforeEach(async ({ page }) => { @@ -1006,10 +647,10 @@ test.describe('Phosphate monomers on the canvas, their connection points and pre }); test.describe('Sugar monomers on the canvas, their connection points and preview tooltips(from .mol file)', () => { - /* + /* Test case: https://github.com/epam/ketcher/issues/3780 - Description: These bunch of tests validates that system correctly load every type of monomer - (Sugar) from .mol file, correctly show them on canvas (name, shape, color), + Description: These bunch of tests validates that system correctly load every type of monomer + (Sugar) from .mol file, correctly show them on canvas (name, shape, color), shows correct number or connections and shows correct preview tooltip */ test.beforeEach(async ({ page }) => { diff --git a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--07e0b--tooltips-from-mol-file-for-09---R1-R3-R4-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Base-monomers-on-the-canvas-their-connection--07e0b--tooltips-from-mol-file-for-09---R1-R3-R4-1-chromium-linux.png deleted file mode 100644 index 1dabfce1c0..0000000000 Binary files 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1b4ee20ad3..0000000000 Binary files a/ketcher-autotests/tests/Macromolecule-editor/Import-Saving-Files/import-saving.spec.ts-snapshots/Sugar-monomers-on-the-canvas-their-connection-points-and-preview-tooltips-for-14---R2-R3-R4-R5-1-chromium-linux.png and /dev/null differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Ket/ket-deserialize.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Ket/ket-deserialize.spec.ts deleted file mode 100644 index 4e660693b5..0000000000 --- a/ketcher-autotests/tests/Macromolecule-editor/Ket/ket-deserialize.spec.ts +++ /dev/null @@ -1,25 +0,0 @@ -import { test } from '@playwright/test'; -import { - moveMouseAway, - openFileAndAddToCanvas, - takeEditorScreenshot, - waitForPageInit, -} from '@utils'; -import { turnOnMacromoleculesEditor } from '@utils/macromolecules'; - -test.describe('Ket Deserialize', () => { - test.beforeEach(async ({ page }) => { - await waitForPageInit(page); - await turnOnMacromoleculesEditor(page); - }); - - test('Open ket file with monomers and bonds', async ({ page }) => { - /* - Test case: #3230 - Support parsing KET file for macromolecules on ketcher side - Description: Ket Deserialize - */ - await openFileAndAddToCanvas('KET/monomers-with-bonds.ket', page); - await moveMouseAway(page); - await takeEditorScreenshot(page); - }); -}); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts b/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts deleted file mode 100644 index acb5fdcbac..0000000000 --- a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts +++ /dev/null @@ -1,80 +0,0 @@ -import { test, expect } from '@playwright/test'; -import { - TopPanelButton, - clickInTheMiddleOfTheScreen, - openFileAndAddToCanvas, - openFromFileViaClipboard, - readFileContents, - selectTopPanelButton, - takeEditorScreenshot, - waitForPageInit, -} from '@utils'; -import { - chooseFileFormat, - turnOnMacromoleculesEditor, -} from '@utils/macromolecules'; - -function removeNotComparableData(file: string) { - return file - .split('\n') - .filter((_, lineNumber) => lineNumber !== 1) - .join('\n'); -} - -const topLeftCorner = -300; - -test.describe('MolV300 Files', () => { - test.beforeEach(async ({ page }) => { - await waitForPageInit(page); - await turnOnMacromoleculesEditor(page); - }); - - test('Import', async ({ page }) => { - await openFileAndAddToCanvas( - 'Molfiles-V3000/monomers-and-chem.mol', - page, - topLeftCorner, - topLeftCorner, - ); - await takeEditorScreenshot(page); - }); - - test('Import with clipboard', async ({ page }) => { - await selectTopPanelButton(TopPanelButton.Open, page); - await openFromFileViaClipboard( - 'tests/test-data/Molfiles-V3000/monomers-and-chem.mol', - page, - ); - await clickInTheMiddleOfTheScreen(page); - await takeEditorScreenshot(page); - }); - - test('Import incorrect data', async ({ page }) => { - const randomText = 'asjfnsalkfl'; - await selectTopPanelButton(TopPanelButton.Open, page); - await page.getByTestId('paste-from-clipboard-button').click(); - await page.getByTestId('open-structure-textarea').fill(randomText); - await page.getByTestId('add-to-canvas-button').click(); - await takeEditorScreenshot(page); - }); - - test('Export MolV3000', async ({ page }) => { - await openFileAndAddToCanvas('KET/monomers-and-chem.ket', page); - await selectTopPanelButton(TopPanelButton.Save, page); - await chooseFileFormat(page, 'MDL Molfile V3000'); - await page - .getByTestId('dropdown-select') - .getByRole('combobox') - .allInnerTexts(); - - const textArea = page.getByTestId('preview-area-text'); - const file = await readFileContents( - 'tests/test-data/Molfiles-V3000/monomers-and-chem.mol', - ); - const expectedData = removeNotComparableData(file); - const valueInTextarea = removeNotComparableData( - await textArea.inputValue(), - ); - await expect(valueInTextarea).toBe(expectedData); - }); -}); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-1-chromium-linux.png deleted file mode 100644 index 629953be36..0000000000 Binary files a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-1-chromium-linux.png and /dev/null differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-incorrect-data-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-incorrect-data-1-chromium-linux.png deleted file mode 100644 index 9b86e6fd27..0000000000 Binary files a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-incorrect-data-1-chromium-linux.png and /dev/null differ diff --git a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-with-clipboard-1-chromium-linux.png b/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-with-clipboard-1-chromium-linux.png deleted file mode 100644 index 629953be36..0000000000 Binary files a/ketcher-autotests/tests/Macromolecule-editor/Opening-Files/Molv3000.spec.ts-snapshots/MolV300-Files-Import-with-clipboard-1-chromium-linux.png and /dev/null differ diff --git a/ketcher-autotests/tests/test-data/FASTA/fasta-corrupted.fasta b/ketcher-autotests/tests/test-data/FASTA/fasta-corrupted.fasta new file mode 100644 index 0000000000..b0cf5b75fb --- /dev/null +++ b/ketcher-autotests/tests/test-data/FASTA/fasta-corrupted.fasta @@ -0,0 +1 @@ +12w12r23e32e33 \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/FASTA/fasta-dna.fasta b/ketcher-autotests/tests/test-data/FASTA/fasta-dna.fasta new file mode 100644 index 0000000000..a1382870e2 --- /dev/null +++ b/ketcher-autotests/tests/test-data/FASTA/fasta-dna.fasta @@ -0,0 +1,2 @@ +>Cpo-Let-7-P1d_pri +TCCAGCCATTGTGATTGCATGTTCCCAGGTTGAGGTAGTAGGTTGTATAGTTTAGAATTACATCAAGGGAGATAACTGTACAGCCTCCTAGCTTTCCTTGGGTCTTGCACAAAGCAACATGGCGAGA diff --git a/ketcher-autotests/tests/test-data/FASTA/fasta-empty.fasta b/ketcher-autotests/tests/test-data/FASTA/fasta-empty.fasta new file mode 100644 index 0000000000..e69de29bb2 diff --git a/ketcher-autotests/tests/test-data/FASTA/fasta-peptide.fasta b/ketcher-autotests/tests/test-data/FASTA/fasta-peptide.fasta new file mode 100644 index 0000000000..8c8ba8aa1f --- /dev/null +++ b/ketcher-autotests/tests/test-data/FASTA/fasta-peptide.fasta @@ -0,0 +1,2 @@ +>4D2I_1|Chains A, B|HERA|SULFOLOBUS SOLFATARICUS (273057) +MIIGYVIGQATTQEALILAERPVRLGTYVVLEYDNVKALGLITNVTRGSPLLDDNMNDIEIVQRLKQFNNSIPVYTKAKVKLLCDMNNHFLMPDIPPFAGTPAREAEDEELKSIYSQDGQIRIGSLIGKNVEVKLNINSFARHLAILAATGSGKSNTVAVLSQRISELGGSVLIFDYHGEYYDSDIKNLNRIEPKLNPLYMTPREFSTLLEIRENAIIQYRILRRAFIKVTNGIRAALAAGQIPFSTLNSQFYELMADALETQGNSDKKSSAKDEVLNKFEEFMDRYSNVIDLTSSDIIEKVKRGKVNVVSLTQLDEDSMDAVVSHYLRRILDSRKDFKRSKNSGLKFPIIAVIEEAHVFLSKNENTLTKYWASRIAREGRKFGVGLTIVSQRPKGLDENILSQMTNKIILKIIEPTDKKYILESSDNLSEDLAEQLSSLDVGEAIIIGKIVKLPAVVKIDMFEGKLLGSDPDMIGEWKKVAASEKIAKGFADFGTEIGD diff --git a/ketcher-autotests/tests/test-data/FASTA/fasta-rna-a.fasta b/ketcher-autotests/tests/test-data/FASTA/fasta-rna-a.fasta new file mode 100644 index 0000000000..398e10ab10 --- /dev/null +++ b/ketcher-autotests/tests/test-data/FASTA/fasta-rna-a.fasta @@ -0,0 +1,2 @@ +> +A \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/FASTA/fasta-rna.fasta b/ketcher-autotests/tests/test-data/FASTA/fasta-rna.fasta new file mode 100644 index 0000000000..b0ef03be84 --- /dev/null +++ b/ketcher-autotests/tests/test-data/FASTA/fasta-rna.fasta @@ -0,0 +1,2 @@ +>Cpo-Let-7-P1d_pri +UCCAGCCAUUGUGAUUGCAUGUUCCCAGGUUGAGGUAGUAGGUUGUAUAGUUUAGAAUUACAUCAAGGGAGAUAACUGUACAGCCUCCUAGCUUUCCUUGGGUCUUGCACAAAGCAACAUGGCGAGA diff --git a/ketcher-autotests/tests/test-data/FASTA/fasta-snake-mode-rna.fasta b/ketcher-autotests/tests/test-data/FASTA/fasta-snake-mode-rna.fasta new file mode 100644 index 0000000000..2adeb9c2b2 --- /dev/null +++ b/ketcher-autotests/tests/test-data/FASTA/fasta-snake-mode-rna.fasta @@ -0,0 +1,2 @@ +> +CCCCCCCCCCCCCCCCCCCCCCCCCCC \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/KET/rna-a.ket b/ketcher-autotests/tests/test-data/KET/rna-a.ket new file mode 100644 index 0000000000..8f0770a506 --- /dev/null +++ b/ketcher-autotests/tests/test-data/KET/rna-a.ket @@ -0,0 +1,607 @@ +{ + "root": { + "nodes": [ + { + "$ref": "monomer4" + }, + { + "$ref": "monomer5" + }, + { + "$ref": "monomer7" + } + ], + "connections": [ + { + "connectionType": "single", + "endpoint1": { + "monomerId": "monomer4", + "attachmentPointId": "R1" + }, + "endpoint2": { + "monomerId": "monomer5", + "attachmentPointId": "R3" + } + }, + { + "connectionType": "single", + "endpoint1": { + "monomerId": "monomer5", + "attachmentPointId": "R2" + }, + "endpoint2": { + "monomerId": "monomer7", + "attachmentPointId": "R1" + } + } + ], + "templates": [ + { + "$ref": "monomerTemplate-A___Adenine" + }, + { + "$ref": "monomerTemplate-R___Ribose" + }, + { + "$ref": "monomerTemplate-P___Phosphate" + } + ] + }, + "monomer4": { + "type": "monomer", + "id": "4", + "position": { + "x": 15.175, + "y": -9.1 + }, + "alias": "A", + "templateId": "A___Adenine" + }, + "monomerTemplate-A___Adenine": { + "type": "monomerTemplate", + "atoms": [ + { + "label": "C", + "location": [ + 1.0354, + 0.2498, + 0 + ] + }, + { + "label": "C", + "location": [ + -0.0792, + -0.754, + 0 + ] + }, + { + "label": "C", + "location": [ + -1.5057, + -0.2906, + 0 + ] + }, + { + "label": "N", + "location": [ + -1.8177, + 1.1766, + 0 + ] + }, + { + "label": "C", + "location": [ + -0.7031, + 2.1804, + 0 + ] + }, + { + "label": "N", + "location": [ + 0.7235, + 1.717, + 0 + ] + }, + { + "label": "N", + "location": [ + -2.3871, + -1.5034, + 0 + ] + }, + { + "label": "C", + "location": [ + -1.5053, + -2.7168, + 0 + ] + }, + { + "label": "N", + "location": [ + -0.0787, + -2.2532, + 0 + ] + }, + { + "label": "N", + "location": [ + 2.1768, + -0.1209, + 0 + ] + }, + { + "label": "H", + "location": [ + -3.5871, + -1.5034, + 0 + ] + } + ], + "bonds": [ + { + "type": 1, + "atoms": [ + 0, + 9 + ] + }, + { + "type": 2, + "atoms": [ + 0, + 5 + ] + }, + { + "type": 1, + "atoms": [ + 0, + 1 + ] + }, + { + "type": 1, + "atoms": [ + 8, + 1 + ] + }, + { + "type": 2, + "atoms": [ + 1, + 2 + ] + }, + { + "type": 1, + "atoms": [ + 6, + 2 + ] + }, + { + "type": 1, + "atoms": [ + 2, + 3 + ] + }, + { + "type": 2, + "atoms": [ + 3, + 4 + ] + }, + { + "type": 1, + "atoms": [ + 4, + 5 + ] + }, + { + "type": 1, + "atoms": [ + 6, + 7 + ] + }, + { + "type": 1, + "atoms": [ + 6, + 10 + ] + }, + { + "type": 2, + "atoms": [ + 7, + 8 + ] + } + ], + "class": "Base", + "classHELM": "RNA", + "id": "A___Adenine", + "fullName": "Adenine", + "alias": "A", + "attachmentPoints": [ + { + "attachmentAtom": 6, + "leavingGroup": { + "atoms": [ + 10 + ] + }, + "type": "left" + } + ], + "naturalAnalogShort": "A" + }, + "monomer5": { + "type": "monomer", + "id": "5", + "position": { + "x": 15.175, + "y": -7.825 + }, + "alias": "R", + "templateId": "R___Ribose" + }, + "monomerTemplate-R___Ribose": { + "type": "monomerTemplate", + "atoms": [ + { + "label": "O", + "location": [ + -1.1017, + -1.0663, + 0 + ] + }, + { + "label": "C", + "location": [ + -0.5897, + 0.3436, + 0 + ], + "stereoLabel": "abs" + }, + { + "label": "C", + "location": [ + 0.0809, + -1.9889, + 0 + ], + "stereoLabel": "abs" + }, + { + "label": "C", + "location": [ + 0.9095, + 0.2924, + 0 + ], + "stereoLabel": "abs" + }, + { + "label": "C", + "location": [ + 1.3239, + -1.1493, + 0 + ], + "stereoLabel": "abs" + }, + { + "label": "O", + "location": [ + 1.8285, + 1.4755, + 0 + ] + }, + { + "label": "O", + "location": [ + 2.4518, + -1.5589, + 0 + ] + }, + { + "label": "C", + "location": [ + -1.431, + 1.5834, + 0 + ] + }, + { + "label": "O", + "location": [ + 0.0399, + -3.1881, + 0 + ] + }, + { + "label": "O", + "location": [ + -2.9279, + 1.4755, + 0 + ] + }, + { + "label": "H", + "location": [ + -3.6017, + 2.4684, + 0 + ] + }, + { + "label": "H", + "location": [ + 3.0174, + 1.3125, + 0 + ] + } + ], + "bonds": [ + { + "type": 1, + "atoms": [ + 0, + 1 + ] + }, + { + "type": 1, + "atoms": [ + 0, + 2 + ] + }, + { + "type": 1, + "atoms": [ + 1, + 3 + ] + }, + { + "type": 1, + "atoms": [ + 1, + 7 + ], + "stereo": 6 + }, + { + "type": 1, + "atoms": [ + 2, + 4 + ] + }, + { + "type": 1, + "atoms": [ + 2, + 8 + ], + "stereo": 6 + }, + { + "type": 1, + "atoms": [ + 3, + 4 + ] + }, + { + "type": 1, + "atoms": [ + 3, + 5 + ], + "stereo": 1 + }, + { + "type": 1, + "atoms": [ + 4, + 6 + ], + "stereo": 1 + }, + { + "type": 1, + "atoms": [ + 5, + 11 + ] + }, + { + "type": 1, + "atoms": [ + 7, + 9 + ] + }, + { + "type": 1, + "atoms": [ + 9, + 10 + ] + } + ], + "class": "Sugar", + "classHELM": "RNA", + "id": "R___Ribose", + "fullName": "Ribose", + "alias": "R", + "attachmentPoints": [ + { + "attachmentAtom": 9, + "leavingGroup": { + "atoms": [ + 10 + ] + }, + "type": "left" + }, + { + "attachmentAtom": 5, + "leavingGroup": { + "atoms": [ + 11 + ] + }, + "type": "right" + }, + { + "attachmentAtom": 2, + "leavingGroup": { + "atoms": [ + 8 + ] + }, + "type": "side" + } + ], + "naturalAnalogShort": "R" + }, + "monomer7": { + "type": "monomer", + "id": "7", + "position": { + "x": 16.45, + "y": -7.825 + }, + "alias": "P", + "templateId": "P___Phosphate" + }, + "monomerTemplate-P___Phosphate": { + "type": "monomerTemplate", + "atoms": [ + { + "label": "P", + "location": [ + -0.2399, + 0, + 0 + ] + }, + { + "label": "O", + "location": [ + -1.4399, + 0, + 0 + ] + }, + { + "label": "O", + "location": [ + 0.3598, + -1.0394, + 0 + ] + }, + { + "label": "O", + "location": [ + 0.9601, + 0, + 0 + ] + }, + { + "label": "O", + "location": [ + 0.3598, + 1.0394, + 0 + ] + } + ], + "bonds": [ + { + "type": 1, + "atoms": [ + 0, + 1 + ] + }, + { + "type": 2, + "atoms": [ + 0, + 2 + ] + }, + { + "type": 1, + "atoms": [ + 0, + 3 + ] + }, + { + "type": 1, + "atoms": [ + 0, + 4 + ] + } + ], + "class": "Phosphate", + "classHELM": "RNA", + "id": "P___Phosphate", + "fullName": "Phosphate", + "alias": "P", + "attachmentPoints": [ + { + "attachmentAtom": 0, + "leavingGroup": { + "atoms": [ + 1 + ] + }, + "type": "left" + }, + { + "attachmentAtom": 0, + "leavingGroup": { + "atoms": [ + 3 + ] + }, + "type": "right" + } + ], + "naturalAnalogShort": "P" + } +} \ No newline at end of file diff --git a/ketcher-autotests/tests/utils/formats/formats.ts b/ketcher-autotests/tests/utils/formats/formats.ts index eadab47c67..e1ab3165de 100644 --- a/ketcher-autotests/tests/utils/formats/formats.ts +++ b/ketcher-autotests/tests/utils/formats/formats.ts @@ -5,6 +5,10 @@ export async function getKet(page: Page): Promise { return await page.evaluate(() => window.ketcher.getKet()); } +export async function getFasta(page: Page): Promise { + return await page.evaluate(() => window.ketcher.getFasta()); +} + export async function getCml(page: Page): Promise { return await page.evaluate(() => window.ketcher.getCml()); } diff --git a/ketcher-autotests/tests/utils/macromolecules/index.ts b/ketcher-autotests/tests/utils/macromolecules/index.ts index a5d2ad2070..ad6492592d 100644 --- a/ketcher-autotests/tests/utils/macromolecules/index.ts +++ b/ketcher-autotests/tests/utils/macromolecules/index.ts @@ -44,7 +44,7 @@ export async function scrollDown(page: Page, scrollDelta: number) { export async function chooseFileFormat( page: Page, - fileFomat: 'Ket' | 'MDL Molfile V3000', + fileFomat: 'Ket' | 'MDL Molfile V3000' | 'FASTA', ) { await page.getByTestId('dropdown-select').click(); await waitForSpinnerFinishedWork(page, async () => { diff --git a/packages/ketcher-core/src/application/formatters/formatProperties.ts b/packages/ketcher-core/src/application/formatters/formatProperties.ts index fb75cb7dc6..132b3aea8b 100644 --- a/packages/ketcher-core/src/application/formatters/formatProperties.ts +++ b/packages/ketcher-core/src/application/formatters/formatProperties.ts @@ -126,6 +126,12 @@ const formatProperties: FormatPropertiesMap = { true, { 'molfile-saving-mode': '3000' }, ), + fasta: new SupportedFormatProperties( + 'FASTA', + ChemicalMimeType.FASTA, + ['.fasta'], + true, + ), unknown: new SupportedFormatProperties( 'Unknown', ChemicalMimeType.UNKNOWN, diff --git a/packages/ketcher-core/src/application/formatters/structFormatter.types.ts b/packages/ketcher-core/src/application/formatters/structFormatter.types.ts index d0cef2db64..079f6b16ee 100644 --- a/packages/ketcher-core/src/application/formatters/structFormatter.types.ts +++ b/packages/ketcher-core/src/application/formatters/structFormatter.types.ts @@ -49,6 +49,7 @@ export enum SupportedFormat { binaryCdx = 'binaryCdx', sdf = 'sdf', sdfV3000 = 'sdfV3000', + fasta = 'fasta', unknown = 'unknown', } diff --git a/packages/ketcher-core/src/application/ketcher.ts b/packages/ketcher-core/src/application/ketcher.ts index ab547812c0..ab2a242f6d 100644 --- a/packages/ketcher-core/src/application/ketcher.ts +++ b/packages/ketcher-core/src/application/ketcher.ts @@ -141,7 +141,7 @@ export class Ketcher { async getMolfile(molfileFormat?: MolfileFormat): Promise { if (this.containsReaction()) { throw Error( - 'The structure cannot be saved as *.MOL due to reaction arrrows.', + 'The structure cannot be saved as *.MOL due to reaction arrows.', ); } @@ -192,6 +192,15 @@ export class Ketcher { ); } + getFasta(): Promise { + return getStructure( + SupportedFormat.fasta, + this.#formatterFactory, + this.#editor.struct(), + CoreEditor.provideEditorInstance()?.drawingEntitiesManager, + ); + } + getSmarts(): Promise { if (window.isPolymerEditorTurnedOn) { throw new Error('SMARTS format is not available in macro mode'); diff --git a/packages/ketcher-core/src/domain/services/struct/structService.types.ts b/packages/ketcher-core/src/domain/services/struct/structService.types.ts index 40b68515ac..1fe1eaefb5 100644 --- a/packages/ketcher-core/src/domain/services/struct/structService.types.ts +++ b/packages/ketcher-core/src/domain/services/struct/structService.types.ts @@ -29,6 +29,7 @@ export enum ChemicalMimeType { KET = 'chemical/x-indigo-ket', UNKNOWN = 'chemical/x-unknown', SDF = 'chemical/x-sdf', + FASTA = 'fasta', } export interface WithStruct { diff --git a/packages/ketcher-macromolecules/src/components/modal/Open/Open.tsx b/packages/ketcher-macromolecules/src/components/modal/Open/Open.tsx index 76b443a262..81906ececc 100644 --- a/packages/ketcher-macromolecules/src/components/modal/Open/Open.tsx +++ b/packages/ketcher-macromolecules/src/components/modal/Open/Open.tsx @@ -79,14 +79,16 @@ const FooterButton = styled(ActionButton)({ const KET = 'ket'; const SEQ = 'seq'; const RNA = 'rna'; +const FASTA = 'fasta'; const options: Array