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#5351 - Change the default size of a plus and the arrows (#5549)
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* #5351 - Changed the default size of arrows to be 1 bond length
* #5153 - Large unbalanced arrow fix
* #5362 - Updates remote & standalone structs to send appropriate parameters for certain requests
* #5584 - Update indigo to 1.25.0-rc.1 in browser module

---------

Co-authored-by: Mikhail Vialov <mikhail_vialov@epam.com>
Co-authored-by: Roman Rodionov <roman_rodionov@epam.com>
Co-authored-by: Alexey Girin <agirin@mail.ru>
Co-authored-by: Zhirnoff <mikhail_zhirnov@epam.com>
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5 people authored Oct 4, 2024
1 parent 06aa065 commit 7a3a053
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60 changes: 31 additions & 29 deletions ketcher-autotests/tests/API/api-set-get-molecule.spec.ts
Original file line number Diff line number Diff line change
Expand Up @@ -236,38 +236,40 @@ test.describe('Tests for API setMolecule/getMolecule', () => {
await takeEditorScreenshot(page);
});

test('Set and Get Molecule containing chiral centers V3000', async ({
page,
}) => {
/*
Test case: EPMLSOPKET- 10097
Description: Molecule set and get with chiral centers V3000
*/

await waitForSpinnerFinishedWork(
page,
async () =>
await setMolecule(page, 'CC(=O)O[C@@H](C)[C@H](O)Cn1cnc2c1ncnc2N'),
);
const molV3000File = await getMolfile(page, 'v3000');
await saveToFile(
'Molfiles-V3000/test-data-for-chiral-centersv3000-expected.mol',
molV3000File,
);
const METADATA_STRING_INDEX = [1];
test.fail(
'Set and Get Molecule containing chiral centers V3000',
async ({ page }) => {
/*
* IMPORTANT: Test fails because we have bug https://github.com/epam/Indigo/issues/2490
* Test case: EPMLSOPKET- 10097
* Description: Molecule set and get with chiral centers V3000
*/

const { fileExpected: molFileExpected, file: molFile } =
await receiveFileComparisonData({
await waitForSpinnerFinishedWork(
page,
expectedFileName:
'tests/test-data/Molfiles-V3000/test-data-for-chiral-centersv3000-expected.mol',
fileFormat: 'v3000',
metaDataIndexes: METADATA_STRING_INDEX,
});
async () =>
await setMolecule(page, 'CC(=O)O[C@@H](C)[C@H](O)Cn1cnc2c1ncnc2N'),
);
const molV3000File = await getMolfile(page, 'v3000');
await saveToFile(
'Molfiles-V3000/test-data-for-chiral-centersv3000-expected.mol',
molV3000File,
);
const METADATA_STRING_INDEX = [1];

expect(molFile).toEqual(molFileExpected);
await takeEditorScreenshot(page);
});
const { fileExpected: molFileExpected, file: molFile } =
await receiveFileComparisonData({
page,
expectedFileName:
'tests/test-data/Molfiles-V3000/test-data-for-chiral-centersv3000-expected.mol',
fileFormat: 'v3000',
metaDataIndexes: METADATA_STRING_INDEX,
});

expect(molFile).toEqual(molFileExpected);
await takeEditorScreenshot(page);
},
);

test('Check DisableQueryElements parameter', async ({ page }) => {
/*
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Original file line number Diff line number Diff line change
Expand Up @@ -309,33 +309,35 @@ test.describe('CDX files without screenshots', () => {
expect(cdxFile).toEqual(cdxFileExpected);
});

test('Validate that the schema with retrosynthetic, angel arrows and plus could be saved to Cdx file and loaded back', async ({
page,
}) => {
/*
test.fail(
'Validate that the schema with retrosynthetic, angel arrows and plus could be saved to Cdx file and loaded back',
async ({ page }) => {
/*
* IMPORTANT: Test fails because we have bug https://github.com/epam/Indigo/issues/2205
Test case: #2097
Description: Validate that schema with retrosynthetic arrow could be saved to Cdx file and loaded back
*/

await openFileAndAddToCanvas(
'KET/schema-with-retrosynthetic-angel-arrows-and-plus.ket',
page,
);
const expectedFile = await getCdx(page);
await saveToFile(
'CDX/schema-with-retrosynthetic-angel-arrows-and-plus.cdx',
expectedFile,
);

const { fileExpected: cdxFileExpected, file: cdxFile } =
await receiveFileComparisonData({
await openFileAndAddToCanvas(
'KET/schema-with-retrosynthetic-angel-arrows-and-plus.ket',
page,
expectedFileName:
'tests/test-data/CDX/schema-with-retrosynthetic-angel-arrows-and-plus.cdx',
});
);
const expectedFile = await getCdx(page);
await saveToFile(
'CDX/schema-with-retrosynthetic-angel-arrows-and-plus.cdx',
expectedFile,
);

expect(cdxFile).toEqual(cdxFileExpected);
});
const { fileExpected: cdxFileExpected, file: cdxFile } =
await receiveFileComparisonData({
page,
expectedFileName:
'tests/test-data/CDX/schema-with-retrosynthetic-angel-arrows-and-plus.cdx',
});

expect(cdxFile).toEqual(cdxFileExpected);
},
);

test('Validate that the schema with two retrosynthetic arrows could be saved to Cdx file and loaded back', async ({
page,
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Original file line number Diff line number Diff line change
Expand Up @@ -100,31 +100,34 @@ test.describe('CML files', () => {
expect(cmlFile).toEqual(cmlFileExpected);
});

test('Open and Save file - CML - CML for R-group and other features', async ({
page,
}) => {
/**
* Test case: EPMLSOPKET-1948
* Description: Saved cml file with structure is compering with paste R-group from a mol file
*/

await openFileAddToCanvasTakeScreenshot(
page,
'Molfiles-V2000/cml-1948-R-group.mol',
);
// check that structure opened from file is displayed correctly

const expectedFile = await getCml(page);
await saveToFile('CML/cml-1948-r-group-expected.cml', expectedFile);
const { file: cmlFile, fileExpected: cmlFileExpected } =
await receiveFileComparisonData({
test.fail(
'Open and Save file - CML - CML for R-group and other features',
async ({ page }) => {
/**
* Test case: EPMLSOPKET-1948
* Description: Saved cml file with structure is compering with paste R-group from a mol file
* It needs to be investigated why the test is failing.
* We have bug https://github.com/epam/Indigo/issues/2497
*/

await openFileAddToCanvasTakeScreenshot(
page,
expectedFileName: 'tests/test-data/CML/cml-1948-r-group-expected.cml',
});
// comparing cml file with golden cml file
'Molfiles-V2000/cml-1948-R-group.mol',
);
// check that structure opened from file is displayed correctly

expect(cmlFile).toEqual(cmlFileExpected);
});
const expectedFile = await getCml(page);
await saveToFile('CML/cml-1948-r-group-expected.cml', expectedFile);
const { file: cmlFile, fileExpected: cmlFileExpected } =
await receiveFileComparisonData({
page,
expectedFileName: 'tests/test-data/CML/cml-1948-r-group-expected.cml',
});
// comparing cml file with golden cml file

expect(cmlFile).toEqual(cmlFileExpected);
},
);

test('Validate that unsplit nucleotides connected with peptides could be saved to CML file and loaded back', async ({
page,
Expand Down Expand Up @@ -365,6 +368,7 @@ test.describe('CML files', () => {
'Validate that the simple schema with retrosynthetic, angel arrows and plus could be saved to CML file and loaded back',
{ tag: ['@IncorrectResultBecauseOfBug'] },
async ({ page }) => {
test.fail();
/*
Test case: #2071
Description: Validate that the schema with retrosynthetic arrow could be saved to CML file and loaded back
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