@datagrok/bio 2.1.8 → 2.1.10
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 +8 -9
- package/dist/package-test.js +5 -3
- package/dist/package.js +1 -3
- package/files/tests/testSmilesShort.csv +11 -0
- package/package.json +1 -1
- package/src/package.ts +0 -3
- package/src/tests/detectors-tests.ts +6 -0
- package/{test-Bio-62cc009524f3-9c526574.html → test-Bio-62cc009524f3-e7a922ae.html} +99 -98
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": "2.1.10",
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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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-
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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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@@ -132,6 +132,7 @@ MWRSWY-CKHP
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testIdCsv = 'testIdCsv',
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testSmilesCsv = 'testSmilesCsv',
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testSmiles2Csv = 'testSmiles2Csv',
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testSmilesShort = 'testSmilesShort',
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testCerealCsv = 'testCerealCsv',
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testActivityCliffsCsv = 'testActivityCliffsCsv',
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testSpgi100 = 'testSpgi100',
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@@ -154,6 +155,7 @@ MWRSWY-CKHP
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[Samples.testIdCsv]: 'System:AppData/Bio/tests/testId.csv',
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[Samples.testSmilesCsv]: 'System:AppData/Bio/tests/testSmiles.csv',
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[Samples.testSmiles2Csv]: 'System:AppData/Bio/tests/testSmiles2.csv',
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[Samples.testSmilesShort]: 'System:AppData/Bio/tests/testSmilesShort.csv',
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[Samples.testActivityCliffsCsv]: 'System:AppData/Bio/tests/testActivityCliffs.csv', // smiles
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[Samples.testCerealCsv]: 'System:AppData/Bio/tests/testCereal.csv',
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[Samples.testSpgi100]: 'System:AppData/Bio/tests/testSpgi100.csv',
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@@ -345,6 +347,10 @@ MWRSWY-CKHP
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await _testNeg(readSamples(Samples.testSmiles2Csv), 'SMILES');
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});
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test('samplesTestSmilesShortNegativeSmiles', async () => {
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await _testNeg(readSamples(Samples.testSmilesShort), 'SMILES');
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});
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test('samplesTestActivityCliffsNegativeSmiles', async () => {
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await _testNeg(readSamples(Samples.testActivityCliffsCsv), 'smiles');
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});
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@@ -1,4 +1,4 @@
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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 e7a922ae.</title><style type="text/css">html,
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body {
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font-family: Arial, Helvetica, sans-serif;
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font-size: 1rem;
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@@ -229,7 +229,7 @@ header {
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font-size: 1rem;
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padding: 0 0.5rem;
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}
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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 e7a922ae.</h1></header><div id="metadata-container"><div id="timestamp">Started: 2022-11-22 08:51:16</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">39.691s</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">27.533s</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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at Generator.next (<anonymous>)
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at fulfilled (/home/runner/work/public/public/packages/Bio/src/__jest__/test-node.ts:28:58)
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at processTicksAndRejections (internal/process/task_queues.js:97:5)</pre><pre class="suite-consolelog-item-message">Using web root: http://localhost:8080</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:40:11
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at Generator.next (<anonymous>)
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at fulfilled (/home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts:31:58)
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at runMicrotasks (<anonymous>)
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at processTicksAndRejections (internal/process/task_queues.js:97:5)</pre><pre class="suite-consolelog-item-message">Test result : Success :
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at processTicksAndRejections (internal/process/task_queues.js:97:5)</pre><pre class="suite-consolelog-item-message">Test result : Success : 0 : Bio.Palettes.testPaletteN : OK
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Test result : Success : 1 : Bio.Palettes.testPaletteAA : OK
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Test result : Success : 0 : Bio.Palettes.testPalettePtMe : OK
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Test result : Success : 97 : Bio.detectors.NegativeEmpty : OK
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Test result : Success : 24 : Bio.detectors.Negative1 : OK
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Test result : Success : 17 : Bio.detectors.Negative2 : OK
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Test result : Success : 54 : Bio.detectors.Negative3 : OK
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Test result : Success : 449 : Bio.detectors.NegativeSmiles : OK
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Test result : Success : 48 : Bio.detectors.Dna1 : OK
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Test result : Success : 34 : Bio.detectors.Rna1 : OK
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Test result : Success : 23 : Bio.detectors.AA1 : OK
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Test result : Success : 39 : Bio.detectors.MsaDna1 : OK
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Test result : Success : 18 : Bio.detectors.MsaAA1 : OK
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Test result : Success : 37 : Bio.detectors.SepDna : OK
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Test result : Success : 21 : Bio.detectors.SepRna : OK
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Test result : Success : 24 : Bio.detectors.SepPt : OK
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Test result : Success : 26 : Bio.detectors.SepUn1 : OK
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Test result : Success : 14 : Bio.detectors.SepUn2 : OK
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Test result : Success : 16 : Bio.detectors.SepMsaN1 : OK
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Test result : Success : 474 : Bio.detectors.SamplesFastaCsvPt : OK
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Test result : Success : 23 : Bio.detectors.SamplesFastaCsvNegativeEntry : OK
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Test result : Success : 6 : Bio.detectors.SamplesFastaCsvNegativeLength : OK
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Test result : Success : 22 : Bio.detectors.SamplesFastaCsvNegativeUniProtKB : OK
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Test result : Success : 275 : Bio.detectors.SamplesFastaFastaPt : OK
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Test result : Success : 767 : Bio.detectors.samplesPeptidesComplexNegativeID : OK
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Test result : Success : 19 : Bio.detectors.SamplesPeptidesComplexNegativeMeasured : OK
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Test result : Success : 10 : Bio.detectors.SamplesPeptidesComplexNegativeValue : OK
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Test result : Success : 186 : Bio.detectors.samplesMsaComplexUn : OK
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Test result : Success : 6 : Bio.detectors.samplesMsaComplexNegativeActivity : OK
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Test result : Success : 129 : Bio.detectors.samplesIdCsvNegativeID : OK
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Test result : Success : 112 : Bio.detectors.samplesSarSmallCsvNegativeSmiles : OK
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Test result : Success : 126 : Bio.detectors.samplesHelmCsvHELM : OK
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Test result : Success : 4 : Bio.detectors.samplesHelmCsvNegativeActivity : OK
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Test result : Success : 105 : Bio.detectors.samplesTestHelmNegativeID : OK
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Test result : Success : 5 : Bio.detectors.samplesTestHelmNegativeTestType : OK
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Test result : Success : 5 : Bio.detectors.samplesTestHelmPositiveHelmString : OK
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Test result : Success : 4 : Bio.detectors.samplesTestHelmNegativeValid : OK
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Test result : Success : 5 : Bio.detectors.samplesTestHelmNegativeMolWeight : OK
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Test result : Success : 4 : Bio.detectors.samplesTestHelmNegativeMolFormula : OK
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Test result : Success : 5 : Bio.detectors.samplesTestHelmNegativeSmiles : OK
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Test result : Success : 451 : Bio.detectors.samplesTestDemogNegativeAll : OK
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Test result : Success : 241 : Bio.detectors.samplesTestSmiles2NegativeSmiles : OK
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Test result : Success : 106 : Bio.detectors.samplesTestSmilesShortNegativeSmiles : OK
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Test result : Success : 119 : Bio.detectors.samplesTestActivityCliffsNegativeSmiles : OK
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Test result : Success : 118 : Bio.detectors.samplesFastaPtPosSequence : OK
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Test result : Success : 114 : Bio.detectors.samplesTestCerealNegativeCerealName : OK
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Test result : Success : 194 : Bio.detectors.samplesTestSpgi100NegativeStereoCategory : OK
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Test result : Success : 8 : Bio.detectors.samplesTestSpgi100NegativeScaffoldNames : OK
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Test result : Success : 5 : Bio.detectors.samplesTestSpgi100NegativePrimaryScaffoldName : OK
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Test result : Success : 5 : Bio.detectors.samplesTestSpgi100NegativeSampleName : OK
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Test result : Success : 108 : Bio.detectors.samplesTestUnichemSourcesNegativeSrcUrl : OK
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Test result : Success : 5 : Bio.detectors.samplesTestUnichemSourcesNegativeBaseIdUrl : OK
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Test result : Success : 125 : Bio.detectors.samplesTestDmvOfficesNegativeOfficeName : OK
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Test result : Success : 8 : Bio.detectors.samplesTestDmvOfficesNegativeCity : OK
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Test result : Success : 130 : Bio.detectors.samplesTestAlertCollectionNegativeSmarts : OK
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Test result : Success : 101 : Bio.detectors.samplesTestSpgiNegativeVals : OK
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Test result : Success : 4 : Bio.detectorsBenchmark.separatorDnaShorts50Few50 : OK
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Test result : Success : 8313 : Bio.detectorsBenchmark.separatorDnaShorts50Many1E6 : OK
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Test result : Success : 985 : Bio.MSA.isCorrect : OK
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Test result : Success : 102 : Bio.MSA.isCorrectLong : OK
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Test result : Success : 934 : Bio.sequenceSpace.sequenceSpaceOpens : OK
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Test result : Success : 441 : Bio.sequenceSpace.sequenceSpaceWithEmptyRows : OK
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Test result : Success : 682 : Bio.activityCliffs.activityCliffsOpens : OK
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Test result : Success : 763 : 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.helm1 : OK
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Test result : Success : 0 : Bio.splitters.helm2 : OK
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Test result : Success : 1 : Bio.splitters.helm3-multichar : OK
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Test result : Success : 0 : Bio.splitters.testHelm1 : OK
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Test result : Success : 0 : Bio.splitters.testHelm2 : OK
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Test result : Success : 0 : Bio.splitters.testHelm3 : OK
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Test result : Success : 259 : Bio.splitters.splitToMonomers : OK
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Test result : Success : 2 : Bio.splitters.getHelmMonomers : OK
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Test result : Success : 63 : Bio.renderers.long sequence performance : OK
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Test result : Success : 800 : Bio.renderers.many sequence performance : OK
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Test result : Success : 278 : Bio.renderers.rendererMacromoleculeFasta : OK
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Test result : Success : 196 : Bio.renderers.rendererMacromoleculeSeparator : OK
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Test result : Success : 67 : Bio.renderers.rendererMacromoleculeDifference : OK
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Test result : Success : 364 : Bio.renderers.afterMsa : OK
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Test result : Success : 262 : Bio.renderers.afterConvert : OK
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Test result : Success : 170 : Bio.renderers.selectRendererBySemType : OK
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Test result : Success : 5 : Bio.converters.testFastaPtToSeparator : OK
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Test result : Success : 10 : Bio.converters.testFastaDnaToSeparator : OK
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Test result : Success : 3 : Bio.converters.testFastaRnaToSeparator : OK
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Test result : Success : 3 : Bio.converters.testFastaGapsToSeparator : OK
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Test result : Success : 2 : Bio.converters.testFastaPtToHelm : OK
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Test result : Success : 2 : Bio.converters.testFastaDnaToHelm : OK
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Test result : Success : 2 : Bio.converters.testFastaRnaToHelm : OK
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Test result : Success : 2 : Bio.converters.testFastaGapsToHelm : OK
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Test result : Success : 1 : Bio.converters.testSeparatorPtToFasta : OK
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Test result : Success : 0 : Bio.converters.testSeparatorDnaToFasta : OK
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Test result : Success : 1 : Bio.converters.testSeparatorRnaToFasta : OK
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Test result : Success : 0 : Bio.converters.testSeparatorGapsToFasta : OK
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Test result : Success : 0 : Bio.converters.testSeparatorPtToHelm : OK
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Test result : Success :
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Test result : Success : 0 : Bio.converters.testSeparatorDnaToHelm : OK
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Test result : Success : 0 : Bio.converters.testSeparatorRnaToHelm : OK
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Test result : Success :
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Test result : Success : 0 : Bio.converters.testSeparatorGapsToHelm : OK
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Test result : Success : 1 : Bio.converters.testHelmDnaToFasta : OK
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Test result : Success : 0 : Bio.converters.testHelmRnaToFasta : OK
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Test result : Success : 1 : Bio.converters.testHelmPtToFasta : OK
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Test result : Success : 2 : Bio.converters.testHelmLoneRibose : OK
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Test result : Success : 2 : Bio.converters.testHelmLoneDeoxyribose : OK
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Test result : Success : 2 : Bio.converters.testHelmLonePhosphorus : OK
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351
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Test result : Success :
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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 : 0 : Bio.fastaFileHandler.testExtraNewlines : OK
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Test result : Success : 0 : Bio.fastaExport.wrapSequenceSingle : OK
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Test result : Success : 0 : Bio.fastaExport.wrapSequenceMulti : OK
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Test result : Success :
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+
Test result : Success : 2 : 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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361
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Test result : Success : 0 : Bio.bio.testGetAlphabetSimilarity : OK
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361
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Test result : Success :
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+
Test result : Success : 1 : 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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365
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Test result : Success : 1 : Bio.bio.testPickupPaletteX : OK
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Test result : Success :
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+
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerSingle : OK
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Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerShort : OK
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367
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Test result : Success :
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368
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+
Test result : Success : 1 : 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 : 0 : Bio.WebLogo.monomerToShort.longMonomerComplexFirstPartLong56 : OK
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370
|
-
Test result : Success :
|
|
371
|
-
Test result : Success :
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372
|
-
Test result : Success :
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|
+
Test result : Success : 97 : Bio.WebLogo-positions.allPositions : OK
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372
|
+
Test result : Success : 85 : Bio.WebLogo-positions.positions with shrinkEmptyTail option true (filterd) : OK
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373
|
+
Test result : Success : 78 : Bio.WebLogo-positions.positions with skipEmptyPositions option : OK
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373
374
|
Test result : Success : 3 : Bio.checkInputColumn.testMsaPos : OK
|
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374
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Test result : Success :
|
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375
|
+
Test result : Success : 1 : Bio.checkInputColumn.testMsaNegHelm : OK
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Test result : Success : 1 : Bio.checkInputColumn.testMsaNegUN : OK
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376
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Test result : Success :
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377
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-
Test result : Success :
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378
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Test result : Success :
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Test result : Success :
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Test result : Success :
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+
Test result : Success : 0 : Bio.checkInputColumn.testGetActionFunctionMeta : OK
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Test result : Success : 378 : Bio.similarity/diversity.similaritySearchViewer : OK
|
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379
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+
Test result : Success : 239 : Bio.similarity/diversity.diversitySearchViewer : OK
|
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380
|
+
Test result : Success : 211 : Bio.substructureFilters.fasta : OK
|
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381
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+
Test result : Success : 399 : Bio.substructureFilters.separator : OK
|
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381
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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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382
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at Generator.next (<anonymous>)
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at fulfilled (/home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts:31:58)
|