@datagrok/bio 2.1.9 → 2.1.11
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/.eslintrc.json +1 -0
- package/detectors.js +12 -12
- package/dist/package-test.js +7 -2
- package/dist/package.js +3 -2
- package/files/tests/testSmilesShort.csv +11 -0
- package/package.json +1 -1
- package/src/package.ts +3 -1
- package/src/tests/detectors-tests.ts +6 -0
- package/{test-Bio-62cc009524f3-820f73b0.html → test-Bio-91c83d8913ff-bb573307.html} +100 -99
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": "2.1.11",
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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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@@ -97,6 +97,8 @@ export async function initBio() {
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}
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async function loadLibraries() {
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//TODO handle if files are in place
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let uploadedLibraries: string[] = Object.values(await grok.dapi.userDataStorage.get(STORAGE_NAME, true));
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if (uploadedLibraries.length == 0 && monomerLib == null)
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monomerLib = new MonomerLib({});
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@@ -396,7 +398,7 @@ export async function toAtomicLevel(df: DG.DataFrame, macroMolecule: DG.Column):
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return;
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const monomersLibFile = await _package.files.readAsText(HELM_CORE_LIB_FILENAME);
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const monomersLibObject: any[] = JSON.parse(monomersLibFile);
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_toAtomicLevel(df, macroMolecule, monomersLibObject);
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await _toAtomicLevel(df, macroMolecule, monomersLibObject);
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}
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//top-menu: Bio | MSA...
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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=
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<html><head><meta charset="utf-8"/><title>Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=91c83d8913ff. Commit bb573307.</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=
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</style></head><body><div id="jesthtml-content"><header><h1 id="title">Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=91c83d8913ff. Commit bb573307.</h1></header><div id="metadata-container"><div id="timestamp">Started: 2022-11-30 16:25:48</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">49.92s</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">35.236s</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 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 : 1 : 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 : 228 : Bio.detectors.NegativeEmpty : OK
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Test result : Success : 36 : Bio.detectors.Negative1 : OK
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Test result : Success : 33 : Bio.detectors.Negative2 : OK
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Test result : Success : 38 : Bio.detectors.Negative3 : OK
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Test result : Success : 586 : Bio.detectors.NegativeSmiles : OK
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Test result : Success : 56 : Bio.detectors.Dna1 : OK
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Test result : Success : 28 : Bio.detectors.Rna1 : OK
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Test result : Success : 42 : Bio.detectors.AA1 : OK
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Test result : Success : 35 : Bio.detectors.MsaDna1 : OK
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Test result : Success : 38 : Bio.detectors.MsaAA1 : OK
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Test result : Success : 27 : Bio.detectors.SepDna : OK
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Test result : Success : 25 : Bio.detectors.SepRna : OK
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Test result : Success : 38 : Bio.detectors.SepPt : OK
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Test result : Success : 18 : Bio.detectors.SepUn1 : OK
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Test result : Success : 17 : Bio.detectors.SepUn2 : OK
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Test result : Success : 18 : Bio.detectors.SepMsaN1 : OK
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Test result : Success : 674 : Bio.detectors.SamplesFastaCsvPt : OK
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Test result : Success : 24 : Bio.detectors.SamplesFastaCsvNegativeEntry : OK
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Test result : Success : 21 : Bio.detectors.SamplesFastaCsvNegativeLength : OK
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Test result : Success : 56 : Bio.detectors.SamplesFastaCsvNegativeUniProtKB : OK
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Test result : Success : 345 : Bio.detectors.SamplesFastaFastaPt : OK
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Test result : Success : 1174 : Bio.detectors.samplesPeptidesComplexNegativeID : OK
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Test result : Success : 7 : Bio.detectors.SamplesPeptidesComplexNegativeMeasured : OK
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Test result : Success : 22 : Bio.detectors.SamplesPeptidesComplexNegativeValue : OK
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Test result : Success : 360 : Bio.detectors.samplesMsaComplexUn : OK
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Test result : Success : 14 : Bio.detectors.samplesMsaComplexNegativeActivity : OK
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Test result : Success : 239 : Bio.detectors.samplesIdCsvNegativeID : OK
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Test result : Success : 248 : Bio.detectors.samplesSarSmallCsvNegativeSmiles : OK
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Test result : Success : 275 : Bio.detectors.samplesHelmCsvHELM : OK
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Test result : Success : 12 : Bio.detectors.samplesHelmCsvNegativeActivity : OK
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Test result : Success : 246 : Bio.detectors.samplesTestHelmNegativeID : OK
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Test result : Success : 16 : Bio.detectors.samplesTestHelmNegativeTestType : OK
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Test result : Success : 18 : Bio.detectors.samplesTestHelmPositiveHelmString : OK
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Test result : Success : 6 : Bio.detectors.samplesTestHelmNegativeValid : OK
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Test result : Success : 15 : Bio.detectors.samplesTestHelmNegativeMolWeight : OK
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Test result : Success : 6 : Bio.detectors.samplesTestHelmNegativeMolFormula : OK
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Test result : Success : 18 : Bio.detectors.samplesTestHelmNegativeSmiles : OK
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Test result : Success : 966 : Bio.detectors.samplesTestDemogNegativeAll : OK
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Test result : Success : 332 : Bio.detectors.samplesTestSmiles2NegativeSmiles : OK
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Test result : Success : 138 : Bio.detectors.samplesTestSmilesShortNegativeSmiles : OK
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Test result : Success : 166 : Bio.detectors.samplesTestActivityCliffsNegativeSmiles : OK
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Test result : Success : 144 : Bio.detectors.samplesFastaPtPosSequence : OK
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Test result : Success : 141 : Bio.detectors.samplesTestCerealNegativeCerealName : OK
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Test result : Success : 221 : Bio.detectors.samplesTestSpgi100NegativeStereoCategory : OK
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Test result : Success : 10 : Bio.detectors.samplesTestSpgi100NegativeScaffoldNames : OK
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Test result : Success : 6 : Bio.detectors.samplesTestSpgi100NegativePrimaryScaffoldName : OK
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Test result : Success : 6 : Bio.detectors.samplesTestSpgi100NegativeSampleName : OK
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Test result : Success : 196 : Bio.detectors.samplesTestUnichemSourcesNegativeSrcUrl : OK
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Test result : Success : 5 : Bio.detectors.samplesTestUnichemSourcesNegativeBaseIdUrl : OK
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Test result : Success : 183 : Bio.detectors.samplesTestDmvOfficesNegativeOfficeName : OK
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Test result : Success : 16 : Bio.detectors.samplesTestDmvOfficesNegativeCity : OK
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Test result : Success : 166 : Bio.detectors.samplesTestAlertCollectionNegativeSmarts : OK
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Test result : Success : 249 : Bio.detectors.samplesTestSpgiNegativeVals : OK
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Test result : Success : 13 : Bio.detectorsBenchmark.separatorDnaShorts50Few50 : OK
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Test result : Success : 10007 : Bio.detectorsBenchmark.separatorDnaShorts50Many1E6 : OK
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Test result : Success : 1882 : Bio.MSA.isCorrect : OK
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Test result : Success : 152 : Bio.MSA.isCorrectLong : OK
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Test result : Success : 1316 : Bio.sequenceSpace.sequenceSpaceOpens : OK
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Test result : Success : 600 : Bio.sequenceSpace.sequenceSpaceWithEmptyRows : OK
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Test result : Success : 921 : Bio.activityCliffs.activityCliffsOpens : OK
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Test result : Success : 1014 : 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 : 1 : Bio.splitters.helm2 : OK
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Test result : Success : 0 : 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 : 1 : Bio.splitters.testHelm3 : OK
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Test result : Success : 393 : Bio.splitters.splitToMonomers : OK
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Test result : Success : 2 : Bio.splitters.getHelmMonomers : OK
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Test result : Success : 90 : Bio.renderers.long sequence performance : OK
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Test result : Success : 665 : Bio.renderers.many sequence performance : OK
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Test result : Success : 397 : Bio.renderers.rendererMacromoleculeFasta : OK
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Test result : Success : 269 : Bio.renderers.rendererMacromoleculeSeparator : OK
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Test result : Success : 100 : Bio.renderers.rendererMacromoleculeDifference : OK
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Test result : Success : 560 : Bio.renderers.afterMsa : OK
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Test result : Success : 395 : Bio.renderers.afterConvert : OK
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Test result : Success : 223 : Bio.renderers.selectRendererBySemType : OK
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Test result : Success : 7 : Bio.converters.testFastaPtToSeparator : OK
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Test result : Success : 6 : Bio.converters.testFastaDnaToSeparator : OK
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Test result : Success : 6 : Bio.converters.testFastaRnaToSeparator : OK
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Test result : Success : 7 : 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 : 3 : Bio.converters.testFastaRnaToHelm : OK
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Test result : Success : 3 : 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.testSeparatorGapsToFasta : OK
|
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338
339
|
Test result : Success : 1 : Bio.converters.testSeparatorPtToHelm : OK
|
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339
|
-
Test result : Success :
|
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340
|
+
Test result : Success : 0 : Bio.converters.testSeparatorDnaToHelm : OK
|
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340
341
|
Test result : Success : 1 : Bio.converters.testSeparatorRnaToHelm : OK
|
|
341
|
-
Test result : Success :
|
|
342
|
+
Test result : Success : 0 : Bio.converters.testSeparatorGapsToHelm : OK
|
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342
343
|
Test result : Success : 1 : Bio.converters.testHelmDnaToFasta : OK
|
|
343
344
|
Test result : Success : 1 : Bio.converters.testHelmRnaToFasta : OK
|
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344
345
|
Test result : Success : 1 : Bio.converters.testHelmPtToFasta : OK
|
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345
346
|
Test result : Success : 1 : Bio.converters.testHelmDnaToSeparator : OK
|
|
346
|
-
Test result : Success :
|
|
347
|
-
Test result : Success :
|
|
347
|
+
Test result : Success : 1 : Bio.converters.testHelmRnaToSeparator : OK
|
|
348
|
+
Test result : Success : 1 : Bio.converters.testHelmPtToSeparator : OK
|
|
348
349
|
Test result : Success : 4 : Bio.converters.testHelmLoneRibose : OK
|
|
349
|
-
Test result : Success :
|
|
350
|
-
Test result : Success :
|
|
350
|
+
Test result : Success : 3 : Bio.converters.testHelmLoneDeoxyribose : OK
|
|
351
|
+
Test result : Success : 3 : Bio.converters.testHelmLonePhosphorus : OK
|
|
351
352
|
Test result : Success : 1 : Bio.fastaFileHandler.testNormalFormatting : OK
|
|
352
353
|
Test result : Success : 0 : Bio.fastaFileHandler.testExtraSpaces : OK
|
|
353
|
-
Test result : Success :
|
|
354
|
-
Test result : Success :
|
|
355
|
-
Test result : Success :
|
|
356
|
-
Test result : Success :
|
|
354
|
+
Test result : Success : 0 : Bio.fastaFileHandler.testExtraNewlines : OK
|
|
355
|
+
Test result : Success : 1 : Bio.fastaExport.wrapSequenceSingle : OK
|
|
356
|
+
Test result : Success : 0 : Bio.fastaExport.wrapSequenceMulti : OK
|
|
357
|
+
Test result : Success : 2 : Bio.fastaExport.saveAsFastaTest1 : OK
|
|
357
358
|
Test result : Success : 1 : Bio.fastaExport.saveAsFastaTest2 : OK
|
|
358
359
|
Test result : Success : 1 : Bio.bio.testGetStatsHelm1 : OK
|
|
359
360
|
Test result : Success : 1 : Bio.bio.testGetStatsN1 : OK
|
|
360
361
|
Test result : Success : 0 : Bio.bio.testGetAlphabetSimilarity : OK
|
|
361
|
-
Test result : Success :
|
|
362
|
+
Test result : Success : 1 : Bio.bio.testPickupPaletteN1 : OK
|
|
362
363
|
Test result : Success : 1 : Bio.bio.testPickupPaletteN1e : OK
|
|
363
|
-
Test result : Success :
|
|
364
|
+
Test result : Success : 2 : Bio.bio.testPickupPaletteAA1 : OK
|
|
364
365
|
Test result : Success : 1 : Bio.bio.testPickupPaletteX : OK
|
|
365
366
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerSingle : OK
|
|
366
367
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerShort : OK
|
|
367
368
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerLong56 : OK
|
|
368
369
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerComplexFirstPartShort : OK
|
|
369
370
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerComplexFirstPartLong56 : OK
|
|
370
|
-
Test result : Success :
|
|
371
|
-
Test result : Success :
|
|
372
|
-
Test result : Success :
|
|
371
|
+
Test result : Success : 154 : Bio.WebLogo-positions.allPositions : OK
|
|
372
|
+
Test result : Success : 123 : Bio.WebLogo-positions.positions with shrinkEmptyTail option true (filterd) : OK
|
|
373
|
+
Test result : Success : 127 : Bio.WebLogo-positions.positions with skipEmptyPositions option : OK
|
|
373
374
|
Test result : Success : 4 : Bio.checkInputColumn.testMsaPos : OK
|
|
374
|
-
Test result : Success :
|
|
375
|
+
Test result : Success : 2 : Bio.checkInputColumn.testMsaNegHelm : OK
|
|
375
376
|
Test result : Success : 1 : Bio.checkInputColumn.testMsaNegUN : OK
|
|
376
|
-
Test result : Success :
|
|
377
|
-
Test result : Success :
|
|
378
|
-
Test result : Success :
|
|
379
|
-
Test result : Success :
|
|
380
|
-
Test result : Success :
|
|
377
|
+
Test result : Success : 0 : Bio.checkInputColumn.testGetActionFunctionMeta : OK
|
|
378
|
+
Test result : Success : 476 : Bio.similarity/diversity.similaritySearchViewer : OK
|
|
379
|
+
Test result : Success : 350 : Bio.similarity/diversity.diversitySearchViewer : OK
|
|
380
|
+
Test result : Success : 257 : Bio.substructureFilters.fasta : OK
|
|
381
|
+
Test result : Success : 434 : Bio.substructureFilters.separator : OK
|
|
381
382
|
</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
|
|
382
383
|
at Generator.next (<anonymous>)
|
|
383
384
|
at fulfilled (/home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts:31:58)
|