@datagrok/bio 2.1.7 → 2.1.9
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/detectors.js +1 -1
- package/dist/package-test.js +5 -3
- package/dist/package.js +1 -3
- package/files/tests/SPGI-derived.csv +320 -0
- package/package.json +1 -1
- package/src/package.ts +0 -3
- package/src/tests/detectors-tests.ts +19 -1
- package/{test-Bio-62cc009524f3-6c978eb5.html → test-Bio-62cc009524f3-820f73b0.html} +107 -106
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package/package.json
CHANGED
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@@ -5,7 +5,7 @@
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"name": "Leonid Stolbov",
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"email": "lstolbov@datagrok.ai"
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},
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"version": "2.1.
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"version": "2.1.9",
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"description": "Bio is a [package](https://datagrok.ai/help/develop/develop#packages) for the [Datagrok](https://datagrok.ai) platform",
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"repository": {
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"type": "git",
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package/src/package.ts
CHANGED
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@@ -588,9 +588,6 @@ export async function testDetectMacromolecule(path: string): Promise<DG.DataFram
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//tags: panel, bio
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//input: column col {semType: Macromolecule}
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export function splitToMonomers(col: DG.Column<string>): void {
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if (!col.getTag(bio_TAGS.aligned).includes(C.MSA))
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return grok.shell.error('Splitting is applicable only for aligned sequences');
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const tempDf = splitAlignedSequences(col);
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const originalDf = col.dataFrame;
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for (const tempCol of tempDf.columns) {
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@@ -7,6 +7,17 @@ import {after, before, category, test, expect, expectObject} from '@datagrok-lib
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import {importFasta} from '../package';
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/*
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// snippet to list df columns of semType='Macromolecule' (false positive)
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const df = grok.shell.tableByName('SPGI');
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for (let i = 0; i < df.columns.length; i++) {
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const col = df.columns.byIndex(i);
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if (col.semType == 'Macromolecule') {
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console.log( i + ' - ' + col.name + ' - ' + col.semType);
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}
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}
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*/
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type DfReaderFunc = () => Promise<DG.DataFrame>;
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category('detectors', () => {
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testUnichemSources = 'testUnichemSources',
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testDmvOffices = 'testDmvOffices',
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testAlertCollection = 'testAlertCollection',
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testSpgi = 'testSpgi',
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}
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const samples: { [key: string]: string } = {
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[Samples.testUnichemSources]: 'System:AppData/Bio/tests/testUnichemSources.csv',
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[Samples.testDmvOffices]: 'System:AppData/Bio/tests/testDmvOffices.csv',
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[Samples.testAlertCollection]: 'System:AppData/Bio/tests/testAlertCollection.csv',
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[Samples.testSpgi]: 'System:AppData/Bio/tests/SPGI-derived.csv',
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};
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const _samplesDfs: { [key: string]: Promise<DG.DataFrame> } = {};
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});
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test('samplesFastaPtPosSequence', async () => {
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await _testPos(readSamples(Samples.fastaPtCsv), 'sequence',
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await _testPos(readSamples(Samples.fastaPtCsv), 'sequence',
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bio.NOTATION.FASTA, bio.ALIGNMENT.SEQ, bio.ALPHABET.PT, 20, false);
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});
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test('samplesTestCerealNegativeCerealName', async () => {
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test('samplesTestAlertCollectionNegativeSmarts', async () => {
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await _testNeg(readSamples(Samples.testAlertCollection), 'smarts');
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});
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test('samplesTestSpgiNegativeVals', async () => {
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await _testNeg(readSamples(Samples.testSpgi), 'vals');
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});
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});
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export async function _testNeg(readDf: DfReaderFunc, colName: string) {
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<html><head><meta charset="utf-8"/><title>Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=62cc009524f3. Commit
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<html><head><meta charset="utf-8"/><title>Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=62cc009524f3. Commit 820f73b0.</title><style type="text/css">html,
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</style></head><body><div id="jesthtml-content"><header><h1 id="title">Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=62cc009524f3. Commit
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</style></head><body><div id="jesthtml-content"><header><h1 id="title">Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=62cc009524f3. Commit 820f73b0.</h1></header><div id="metadata-container"><div id="timestamp">Started: 2022-11-21 17:50:27</div><div id="summary"><div id="suite-summary"><div class="summary-total">Suites (1)</div><div class="summary-passed">1 passed</div><div class="summary-failed summary-empty">0 failed</div><div class="summary-pending summary-empty">0 pending</div></div><div id="test-summary"><div class="summary-total">Tests (1)</div><div class="summary-passed">1 passed</div><div class="summary-failed summary-empty">0 failed</div><div class="summary-pending summary-empty">0 pending</div></div></div></div><div id="suite-1" class="suite-container"><div class="suite-info"><div class="suite-path">/home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts</div><div class="suite-time warn">51.915s</div></div><div class="suite-tests"><div class="test-result passed"><div class="test-info"><div class="test-suitename"> </div><div class="test-title">TEST</div><div class="test-status">passed</div><div class="test-duration">35.984s</div></div></div></div><div class="suite-consolelog"><div class="suite-consolelog-header">Console Log</div><div class="suite-consolelog-item"><pre class="suite-consolelog-item-origin"> at Object.<anonymous> (/home/runner/work/public/public/packages/Bio/src/__jest__/test-node.ts:63:11)
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Test result : Success : 0 : Bio.Palettes.testPaletteAA : OK
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Test result : Success : 0 : Bio.Palettes.testPalettePtMe : OK
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Test result : Success : 266 : Bio.detectors.NegativeEmpty : OK
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Test result : Success : 46 : Bio.detectors.Negative1 : OK
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Test result : Success : 76 : Bio.detectors.Negative2 : OK
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Test result : Success : 25 : Bio.detectors.Negative3 : OK
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Test result : Success : 647 : Bio.detectors.NegativeSmiles : OK
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Test result : Success : 64 : Bio.detectors.Dna1 : OK
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Test result : Success : 24 : Bio.detectors.Rna1 : OK
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Test result : Success : 23 : Bio.detectors.AA1 : OK
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Test result : Success : 17 : Bio.detectors.MsaDna1 : OK
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Test result : Success : 34 : Bio.detectors.MsaAA1 : OK
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Test result : Success : 23 : Bio.detectors.SepDna : OK
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Test result : Success : 24 : Bio.detectors.SepRna : OK
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Test result : Success : 24 : Bio.detectors.SepPt : OK
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Test result : Success : 32 : Bio.detectors.SepUn1 : OK
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Test result : Success : 41 : Bio.detectors.SepUn2 : OK
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Test result : Success : 33 : Bio.detectors.SepMsaN1 : OK
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Test result : Success : 750 : Bio.detectors.SamplesFastaCsvPt : OK
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Test result : Success : 17 : Bio.detectors.SamplesFastaCsvNegativeEntry : OK
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Test result : Success : 16 : Bio.detectors.SamplesFastaCsvNegativeLength : OK
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Test result : Success : 41 : Bio.detectors.SamplesFastaCsvNegativeUniProtKB : OK
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Test result : Success : 347 : Bio.detectors.SamplesFastaFastaPt : OK
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Test result : Success : 1222 : Bio.detectors.samplesPeptidesComplexNegativeID : OK
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Test result : Success : 43 : Bio.detectors.SamplesPeptidesComplexNegativeMeasured : OK
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Test result : Success : 20 : Bio.detectors.SamplesPeptidesComplexNegativeValue : OK
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Test result : Success : 300 : Bio.detectors.samplesMsaComplexUn : OK
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Test result : Success : 7 : Bio.detectors.samplesMsaComplexNegativeActivity : OK
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Test result : Success : 191 : Bio.detectors.samplesIdCsvNegativeID : OK
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Test result : Success : 172 : Bio.detectors.samplesSarSmallCsvNegativeSmiles : OK
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Test result : Success : 168 : Bio.detectors.samplesHelmCsvHELM : OK
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Test result : Success : 9 : Bio.detectors.samplesHelmCsvNegativeActivity : OK
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Test result : Success : 180 : Bio.detectors.samplesTestHelmNegativeID : OK
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Test result : Success : 32 : Bio.detectors.samplesTestHelmNegativeTestType : OK
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Test result : Success : 26 : Bio.detectors.samplesTestHelmPositiveHelmString : OK
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Test result : Success : 20 : Bio.detectors.samplesTestHelmNegativeValid : OK
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Test result : Success : 7 : Bio.detectors.samplesTestHelmNegativeMolWeight : OK
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Test result : Success : 39 : Bio.detectors.samplesTestHelmNegativeMolFormula : OK
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Test result : Success : 16 : Bio.detectors.samplesTestHelmNegativeSmiles : OK
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Test result : Success : 1164 : Bio.detectors.samplesTestDemogNegativeAll : OK
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Test result : Success : 366 : Bio.detectors.samplesTestSmiles2NegativeSmiles : OK
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Test result : Success : 183 : Bio.detectors.samplesTestActivityCliffsNegativeSmiles : OK
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Test result : Success : 149 : Bio.detectors.samplesFastaPtPosSequence : OK
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Test result : Success : 141 : Bio.detectors.samplesTestCerealNegativeCerealName : OK
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Test result : Success : 228 : Bio.detectors.samplesTestSpgi100NegativeStereoCategory : OK
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Test result : Success : 7 : Bio.detectors.samplesTestSpgi100NegativePrimaryScaffoldName : OK
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Test result : Success : 12 : Bio.detectorsBenchmark.separatorDnaShorts50Few50 : OK
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Test result : Success : 10234 : Bio.detectorsBenchmark.separatorDnaShorts50Many1E6 : OK
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Test result : Success : 1702 : Bio.MSA.isCorrect : OK
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Test result : Success : 95 : Bio.MSA.isCorrectLong : OK
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Test result : Success : 1274 : Bio.sequenceSpace.sequenceSpaceOpens : OK
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Test result : Success : 609 : Bio.sequenceSpace.sequenceSpaceWithEmptyRows : OK
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Test result : Success : 934 : Bio.activityCliffs.activityCliffsOpens : OK
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Test result : Success : 1024 : Bio.activityCliffs.activityCliffsWithEmptyRows : OK
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Test result : Success : 1 : Bio.splitters.fastaMulti : OK
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Test result : Success : 1 : Bio.splitters.helm2 : OK
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Test result : Success : 964 : Bio.renderers.many sequence performance : OK
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Test result : Success : 367 : Bio.renderers.rendererMacromoleculeFasta : OK
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Test result : Success : 254 : Bio.renderers.rendererMacromoleculeSeparator : OK
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Test result : Success : 97 : Bio.renderers.rendererMacromoleculeDifference : OK
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Test result : Success : 554 : Bio.renderers.afterMsa : OK
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Test result : Success : 389 : Bio.renderers.afterConvert : OK
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Test result : Success : 215 : Bio.renderers.selectRendererBySemType : OK
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Test result : Success : 8 : Bio.converters.testFastaPtToSeparator : OK
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Test result : Success : 7 : Bio.converters.testFastaDnaToSeparator : OK
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Test result : Success : 6 : Bio.converters.testFastaRnaToSeparator : OK
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Test result : Success : 6 : Bio.converters.testFastaGapsToSeparator : OK
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Test result : Success : 4 : Bio.converters.testFastaPtToHelm : OK
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Test result : Success : 3 : Bio.converters.testFastaDnaToHelm : OK
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Test result : Success : 4 : Bio.converters.testFastaRnaToHelm : OK
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Test result : Success : 11 : Bio.converters.testFastaGapsToHelm : OK
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Test result : Success : 1 : Bio.converters.testSeparatorPtToFasta : OK
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Test result : Success : 1 : Bio.converters.testSeparatorDnaToFasta : OK
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Test result : Success : 1 : Bio.converters.testSeparatorRnaToFasta : OK
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Test result : Success : 1 : Bio.converters.testSeparatorPtToHelm : OK
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Test result : Success : 1 : Bio.converters.testSeparatorRnaToHelm : OK
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Test result : Success : 1 : Bio.converters.testSeparatorGapsToHelm : OK
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Test result : Success : 1 : Bio.converters.testHelmDnaToFasta : OK
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Test result : Success : 1 : Bio.converters.testHelmRnaToFasta : OK
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Test result : Success : 1 : Bio.converters.testHelmPtToFasta : OK
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Test result : Success : 1 : Bio.converters.testHelmDnaToSeparator : OK
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Test result : Success : 0 : Bio.converters.testHelmRnaToSeparator : OK
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Test result : Success : 0 : Bio.converters.testHelmPtToSeparator : OK
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Test result : Success : 4 : Bio.converters.testHelmLoneRibose : OK
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Test result : Success : 2 : Bio.converters.testHelmLoneDeoxyribose : OK
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Test result : Success : 4 : Bio.converters.testHelmLonePhosphorus : OK
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Test result : Success : 1 : Bio.fastaFileHandler.testNormalFormatting : OK
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Test result : Success : 0 : Bio.fastaFileHandler.testExtraSpaces : OK
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Test result : Success : 1 : Bio.fastaFileHandler.testExtraNewlines : OK
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Test result : Success : 0 : Bio.fastaExport.wrapSequenceSingle : OK
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Test result : Success : 1 : Bio.fastaExport.wrapSequenceMulti : OK
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Test result : Success : 1 : Bio.fastaExport.saveAsFastaTest1 : OK
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Test result : Success : 1 : Bio.fastaExport.saveAsFastaTest2 : OK
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Test result : Success : 1 : Bio.bio.testGetStatsHelm1 : OK
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Test result : Success : 1 : Bio.bio.testGetStatsN1 : OK
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Test result : Success : 0 : Bio.bio.testGetAlphabetSimilarity : OK
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Test result : Success :
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Test result : Success : 2 : Bio.bio.testPickupPaletteN1 : OK
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Test result : Success : 1 : Bio.bio.testPickupPaletteN1e : OK
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Test result : Success : 1 : Bio.bio.testPickupPaletteAA1 : OK
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Test result : Success : 1 : Bio.bio.testPickupPaletteX : OK
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Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerLong56 : OK
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Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerComplexFirstPartShort : OK
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Test result : Success : 133 : Bio.WebLogo-positions.allPositions : OK
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Test result : Success : 139 : Bio.WebLogo-positions.positions with shrinkEmptyTail option true (filterd) : OK
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Test result : Success : 119 : Bio.WebLogo-positions.positions with skipEmptyPositions option : OK
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Test result : Success : 4 : Bio.checkInputColumn.testMsaPos : OK
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Test result : Success : 1 : Bio.checkInputColumn.testMsaNegHelm : OK
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Test result : Success : 1 : Bio.checkInputColumn.testMsaNegUN : OK
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Test result : Success : 1 : Bio.checkInputColumn.testGetActionFunctionMeta : OK
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Test result : Success : 493 : Bio.similarity/diversity.similaritySearchViewer : OK
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Test result : Success : 337 : Bio.similarity/diversity.diversitySearchViewer : OK
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Test result : Success : 242 : Bio.substructureFilters.fasta : OK
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Test result : Success : 425 : Bio.substructureFilters.separator : OK
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</pre></div><div class="suite-consolelog-item"><pre class="suite-consolelog-item-origin"> at /home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts:74:11
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381
382
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at Generator.next (<anonymous>)
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382
383
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at fulfilled (/home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts:31:58)
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