@datagrok/bio 2.0.6 → 2.0.8
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 +3 -7
- package/dist/package-test.js +89 -46
- package/dist/package.js +37 -32
- package/package.json +2 -2
- package/src/calculations/monomerLevelMols.ts +0 -1
- package/src/tests/Palettes-test.ts +22 -3
- package/src/tests/WebLogo-positions-test.ts +3 -4
- package/src/tests/splitters-test.ts +26 -2
- package/{test-Bio-7770371320b2-046cde35.html → test-Bio-7770371320b2-1095ee64.html} +96 -94
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": "2.0.
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"version": "2.0.8",
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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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@@ -14,7 +14,7 @@
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},
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"dependencies": {
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"@biowasm/aioli": ">=2.4.0",
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"@datagrok-libraries/bio": "^4.
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"@datagrok-libraries/bio": "^4.3.0",
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"@datagrok-libraries/chem-meta": "1.0.0",
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"@datagrok-libraries/ml": "^6.2.0",
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"@datagrok-libraries/utils": "^1.6.2",
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@@ -1,12 +1,31 @@
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import {after, before, category, test, expect, expectObject} from '@datagrok-libraries/utils/src/test';
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-
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import * as grok from 'datagrok-api/grok';
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import * as ui from 'datagrok-api/ui';
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import * as DG from 'datagrok-api/dg';
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import {
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import {after, before, category, test, expect, expectObject} from '@datagrok-libraries/utils/src/test';
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import {_testPaletteN, _testPaletteAA} from '@datagrok-libraries/bio/src/tests/palettes-tests';
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import {ALPHABET, UnitsHandler} from '@datagrok-libraries/bio/src/utils/units-handler';
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import {AminoacidsPalettes} from '@datagrok-libraries/bio/src/aminoacids';
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category('Palettes', () => {
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test('testPaletteN', async () => { await _testPaletteN(); });
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test('testPaletteAA', async () => { await _testPaletteAA(); });
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test('testPalettePtMe', async () => {
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const colorMeNle = AminoacidsPalettes.GrokGroups.get('MeNle');
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const colorMeA = AminoacidsPalettes.GrokGroups.get('MeA');
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const colorMeG = AminoacidsPalettes.GrokGroups.get('MeG');
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const colorMeF = AminoacidsPalettes.GrokGroups.get('MeF');
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const colorL = AminoacidsPalettes.GrokGroups.get('L');
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const colorA = AminoacidsPalettes.GrokGroups.get('A');
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const colorG = AminoacidsPalettes.GrokGroups.get('G');
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const colorF = AminoacidsPalettes.GrokGroups.get('F');
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expect(colorMeNle, colorL);
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expect(colorMeA, colorA);
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expect(colorMeG, colorG);
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expect(colorMeF, colorF);
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});
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});
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import {after, before, category, test, expect, expectObject} from '@datagrok-libraries/utils/src/test';
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import {after, before, category, test, expect, expectObject, delay} from '@datagrok-libraries/utils/src/test';
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import * as grok from 'datagrok-api/grok';
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import * as ui from 'datagrok-api/ui';
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@@ -31,6 +31,7 @@ ATC-G-TTGC--
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tvList.forEach((tv: DG.TableView) => tv.close());
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currentView = grok.shell.tv;
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});
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test('allPositions', async () => {
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const df: DG.DataFrame = DG.DataFrame.fromCsv(csvDf1);
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const tv: DG.TableView = grok.shell.addTableView(df);
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expect(positions[i].freq[key].count, resAllDf1[i].freq[key].count);
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}
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}
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});
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test('positions with shrinkEmptyTail option true (filterd)', async () => {
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let csvDf2 = `seq
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-TC-G-TTGC--
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expect(positions[i].freq[key].count, resAllDf1[i].freq[key].count);
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}
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}
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-
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});
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test('positions with skipEmptyPositions option', async () => {
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}
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}
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});
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});
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import {after, before, category, test, expect, expectArray} from '@datagrok-libraries/utils/src/test';
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import {after, before, category, test, expect, expectArray, expectObject} from '@datagrok-libraries/utils/src/test';
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import * as grok from 'datagrok-api/grok';
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import * as ui from 'datagrok-api/ui';
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import * as DG from 'datagrok-api/dg';
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import {WebLogo, SplitterFunc} from '@datagrok-libraries/bio/src/viewers/web-logo';
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import {splitToMonomers, _package} from '../package';
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import {splitToMonomers, _package, getHelmMonomers} from '../package';
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import * as C from '../utils/constants';
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category('splitters', () => {
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@@ -87,6 +87,30 @@ category('splitters', () => {
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splitToMonomers(seqCol);
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expect(df.columns.names().includes('17'), true);
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});
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test('getHelmMonomers', async () => {
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const df: DG.DataFrame = DG.DataFrame.fromCsv(
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`HELM,Activity
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PEPTIDE1{hHis.N.T}$$$,5.30751
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PEPTIDE1{hHis.Aca.Cys_SEt}$$$,5.72388
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`);
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const expectedMonomerList = ['hHis', 'Aca', 'Cys_SEt', 'N', 'T'];
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const helmCol: DG.Column = df.getCol('HELM');
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const res = getHelmMonomers(helmCol);
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const missed = expectedMonomerList.filter((m) => !res.includes(m));
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const unexpected = res.filter((m) => !expectedMonomerList.includes(m));
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if (missed.length > 0 || unexpected.length) {
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const msgs = [];
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if (missed.length > 0)
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msgs.push(`Missed monomers ${JSON.stringify(missed)}.`);
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if (unexpected.length > 0)
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msgs.push(`Unexpected monomers ${JSON.stringify(unexpected)}.`);
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throw new Error(msgs.join(' '));
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}
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});
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});
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export async function _testHelmSplitter(src: string, tgt: string[]) {
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<html><head><meta charset="utf-8"/><title>Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=7770371320b2. Commit
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<html><head><meta charset="utf-8"/><title>Bio Test Report. Datagrok version datagrok/datagrok:latest SHA=7770371320b2. Commit 1095ee64.</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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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=7770371320b2. 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=7770371320b2. Commit 1095ee64.</h1></header><div id="metadata-container"><div id="timestamp">Started: 2022-09-19 08:10:18</div><div id="summary"><div id="suite-summary"><div class="summary-total">Suites (1)</div><div class="summary-passed summary-empty">0 passed</div><div class="summary-failed">1 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 summary-empty">0 passed</div><div class="summary-failed">1 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">40.792s</div></div><div class="suite-tests"><div class="test-result failed"><div class="test-info"><div class="test-suitename"> </div><div class="test-title">TEST</div><div class="test-status">failed</div><div class="test-duration">25.775s</div></div><div class="failureMessages"> <pre class="failureMsg">Error: Test result : Failed : 183 : Bio.renderers.setRendererManually : Error: Tag 'cell.renderer' has been manually set to 'MacromoleculeDifference' for column but after df was added as table, tag 'cell.renderer' has reset to 'sequence' instead of manual 'MacromoleculeDifference'.
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at /home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts:68:20
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at Generator.next (<anonymous>)
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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 : 6 : Bio.WebLogo.testGetStats : OK
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Test result : Success : 0 : Bio.WebLogo.testGetAlphabetSimilarity : OK
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Test result : Success : 2 : Bio.WebLogo.testPickupPaletteN1 : OK
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Test result : Success : 2 : Bio.WebLogo.testPickupPaletteN1e : OK
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Test result : Success : 2 : Bio.WebLogo.testPickupPaletteAA1 : OK
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Test result : Success : 2 : Bio.WebLogo.testPickupPaletteX : OK
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Test result : Success : 1 : Bio.WebLogo.monomerToText.longMonomerSingle : OK
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Test result : Success : 0 : Bio.WebLogo.monomerToText.longMonomerShort : OK
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Test result : Success : 0 : Bio.WebLogo.monomerToText.longMonomerLong56 : OK
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Test result : Success : 0 : Bio.WebLogo.monomerToText.longMonomerComplexFirstPartShort : OK
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Test result : Success : 0 : Bio.WebLogo.monomerToText.longMonomerComplexFirstPartLong56 : OK
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Test result : Success : 1 : Bio.Palettes.testPaletteN : OK
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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 : 49 : Bio.detectors.NegativeEmpty : OK
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Test result : Success : 15 : Bio.detectors.Negative1 : OK
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Test result : Success : 22 : Bio.detectors.Negative2 : OK
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Test result : Success : 16 : Bio.detectors.Negative3 : OK
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Test result : Success : 14 : Bio.detectors.NegativeSmiles : OK
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Test result : Success : 9 : Bio.detectors.Dna1 : OK
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Test result : Success : 26 : Bio.detectors.Rna1 : OK
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Test result : Success : 41 : Bio.detectors.AA1 : OK
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Test result : Success : 26 : Bio.detectors.MsaDna1 : OK
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Test result : Success : 20 : Bio.detectors.MsaAA1 : OK
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Test result : Success : 40 : Bio.detectors.SepDna : OK
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Test result : Success : 21 : Bio.detectors.SepRna : OK
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Test result : Success : 17 : Bio.detectors.SepPt : OK
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Test result : Success : 15 : Bio.detectors.SepUn1 : OK
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Test result : Success : 19 : Bio.detectors.SepUn2 : OK
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Test result : Success : 18 : Bio.detectors.SepMsaN1 : OK
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Test result : Success : 653 : Bio.detectors.SamplesFastaCsvPt : OK
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Test result : Success : 17 : Bio.detectors.SamplesFastaCsvNegativeEntry : OK
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Test result : Success : 20 : Bio.detectors.SamplesFastaCsvNegativeLength : OK
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Test result : Success : 89 : Bio.detectors.SamplesFastaCsvNegativeUniProtKB : OK
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Test result : Success : 417 : Bio.detectors.SamplesFastaFastaPt : OK
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Test result : Success : 1139 : Bio.detectors.samplesPeptidesComplexNegativeID : OK
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Test result : Success : 28 : Bio.detectors.SamplesPeptidesComplexNegativeMeasured : OK
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Test result : Success : 211 : Bio.detectors.SamplesPeptidesComplexNegativeValue : OK
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Test result : Success : 285 : Bio.detectors.samplesMsaComplexUn : OK
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Test result : Success : 38 : Bio.detectors.samplesMsaComplexNegativeActivity : OK
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Test result : Success : 212 : Bio.detectors.samplesIdCsvNegativeID : OK
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Test result : Success : 242 : Bio.detectors.samplesSarSmallCsvNegativeSmiles : OK
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Test result : Success : 208 : Bio.detectors.samplesHelmCsvHELM : OK
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Test result : Success : 13 : Bio.detectors.samplesHelmCsvNegativeActivity : OK
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Test result : Success : 248 : Bio.detectors.samplesTestHelmNegativeID : OK
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Test result : Success : 15 : Bio.detectors.samplesTestHelmNegativeTestType : OK
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Test result : Success : 9 : 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 : 8 : Bio.detectors.samplesTestHelmNegativeMolFormula : OK
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Test result : Success : 16 : Bio.detectors.samplesTestHelmNegativeSmiles : OK
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Test result : Success : 1095 : Bio.detectors.samplesTestDemogNegativeAll : OK
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Test result : Success : 889 : Bio.detectors.samplesTestSmiles2NegativeSmiles : OK
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Test result : Success : 274 : Bio.detectors.samplesTestActivityCliffsNegativeSmiles : OK
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Test result : Success : 273 : Bio.detectors.samplesFastaPtPosSequence : OK
|
|
307
|
+
Test result : Success : 216 : Bio.detectors.samplesTestCerealNegativeCerealName : OK
|
|
308
|
+
Test result : Success : 348 : Bio.detectors.samplesTestSpgi100NegativeStereoCategory : OK
|
|
309
|
+
Test result : Success : 7 : Bio.detectors.samplesTestSpgi100NegativeScaffoldNames : OK
|
|
309
310
|
Test result : Success : 14 : Bio.detectors.samplesTestSpgi100NegativePrimaryScaffoldName : OK
|
|
310
|
-
Test result : Success :
|
|
311
|
-
Test result : Success :
|
|
312
|
-
Test result : Success :
|
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313
|
-
Test result : Success :
|
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314
|
-
Test result : Success :
|
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315
|
-
Test result : Success :
|
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316
|
-
Test result : Success :
|
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317
|
-
Test result : Success :
|
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318
|
-
Test result : Success :
|
|
319
|
-
Test result : Success :
|
|
320
|
-
Test result : Success :
|
|
321
|
-
Test result : Success :
|
|
311
|
+
Test result : Success : 29 : Bio.detectors.samplesTestSpgi100NegativeSampleName : OK
|
|
312
|
+
Test result : Success : 231 : Bio.detectors.samplesTestUnichemSourcesNegativeSrcUrl : OK
|
|
313
|
+
Test result : Success : 5 : Bio.detectors.samplesTestUnichemSourcesNegativeBaseIdUrl : OK
|
|
314
|
+
Test result : Success : 219 : Bio.detectors.samplesTestDmvOfficesNegativeOfficeName : OK
|
|
315
|
+
Test result : Success : 24 : Bio.detectors.samplesTestDmvOfficesNegativeCity : OK
|
|
316
|
+
Test result : Success : 249 : Bio.detectors.samplesTestAlertCollectionNegativeSmarts : OK
|
|
317
|
+
Test result : Success : 1661 : Bio.MSA.isCorrect : OK
|
|
318
|
+
Test result : Success : 306 : Bio.MSA.isCorrectLong : OK
|
|
319
|
+
Test result : Success : 1216 : Bio.sequenceSpace.sequenceSpaceOpens : OK
|
|
320
|
+
Test result : Success : 4269 : Bio.sequenceSpace.sequenceSpaceOpensWithEmptyRows : OK
|
|
321
|
+
Test result : Success : 947 : Bio.activityCliffs.activityCliffsOpen : OK
|
|
322
|
+
Test result : Success : 853 : Bio.activityCliffs.activityCliffsOpenWithEmptyRows : OK
|
|
322
323
|
Test result : Success : 1 : Bio.splitters.helm1 : OK
|
|
323
324
|
Test result : Success : 1 : Bio.splitters.helm2 : OK
|
|
324
|
-
Test result : Success :
|
|
325
|
-
Test result : Success :
|
|
326
|
-
Test result : Success :
|
|
327
|
-
Test result : Success :
|
|
328
|
-
Test result : Success :
|
|
329
|
-
Test result : Success :
|
|
330
|
-
Test result : Success :
|
|
331
|
-
Test result : Success :
|
|
332
|
-
Test result : Success :
|
|
333
|
-
Test result : Success :
|
|
334
|
-
Test result : Success :
|
|
335
|
-
Test result : Success :
|
|
336
|
-
Test result : Success :
|
|
337
|
-
Test result : Success :
|
|
338
|
-
Test result : Success :
|
|
339
|
-
Test result : Success :
|
|
325
|
+
Test result : Success : 1 : Bio.splitters.helm3-multichar : OK
|
|
326
|
+
Test result : Success : 1 : Bio.splitters.testHelm1 : OK
|
|
327
|
+
Test result : Success : 1 : Bio.splitters.testHelm2 : OK
|
|
328
|
+
Test result : Success : 1 : Bio.splitters.testHelm3 : OK
|
|
329
|
+
Test result : Success : 335 : Bio.splitters.splitToMonomers : OK
|
|
330
|
+
Test result : Success : 2 : Bio.splitters.getHelmMonomers : OK
|
|
331
|
+
Test result : Success : 93 : Bio.renderers.long sequence performance : OK
|
|
332
|
+
Test result : Success : 676 : Bio.renderers.many sequence performance : OK
|
|
333
|
+
Test result : Success : 269 : Bio.renderers.rendererMacromoleculeFasta : OK
|
|
334
|
+
Test result : Success : 218 : Bio.renderers.rendererMacromoleculeSeparator : OK
|
|
335
|
+
Test result : Success : 72 : Bio.renderers.rendererMacromoleculeDifference : OK
|
|
336
|
+
Test result : Success : 534 : Bio.renderers.afterMsa : OK
|
|
337
|
+
Test result : Success : 238 : Bio.renderers.afterConvert : OK
|
|
338
|
+
Test result : Success : 207 : Bio.renderers.selectRendererBySemType : OK
|
|
339
|
+
Test result : Success : 6 : Bio.converters.testFastaPtToSeparator : OK
|
|
340
|
+
Test result : Success : 10 : Bio.converters.testFastaDnaToSeparator : OK
|
|
341
|
+
Test result : Success : 6 : Bio.converters.testFastaRnaToSeparator : OK
|
|
340
342
|
Test result : Success : 5 : Bio.converters.testFastaGapsToSeparator : OK
|
|
341
|
-
Test result : Success :
|
|
342
|
-
Test result : Success :
|
|
343
|
-
Test result : Success :
|
|
343
|
+
Test result : Success : 2 : Bio.converters.testFastaPtToHelm : OK
|
|
344
|
+
Test result : Success : 1 : Bio.converters.testFastaDnaToHelm : OK
|
|
345
|
+
Test result : Success : 1 : Bio.converters.testFastaRnaToHelm : OK
|
|
344
346
|
Test result : Success : 2 : Bio.converters.testFastaGapsToHelm : OK
|
|
345
347
|
Test result : Success : 1 : Bio.converters.testSeparatorPtToFasta : OK
|
|
346
348
|
Test result : Success : 1 : Bio.converters.testSeparatorDnaToFasta : OK
|
|
347
349
|
Test result : Success : 0 : Bio.converters.testSeparatorRnaToFasta : OK
|
|
348
350
|
Test result : Success : 0 : Bio.converters.testSeparatorGapsToFasta : OK
|
|
349
|
-
Test result : Success :
|
|
350
|
-
Test result : Success :
|
|
351
|
-
Test result : Success :
|
|
351
|
+
Test result : Success : 0 : Bio.converters.testSeparatorPtToHelm : OK
|
|
352
|
+
Test result : Success : 1 : Bio.converters.testSeparatorDnaToHelm : OK
|
|
353
|
+
Test result : Success : 0 : Bio.converters.testSeparatorRnaToHelm : OK
|
|
352
354
|
Test result : Success : 0 : Bio.converters.testSeparatorGapsToHelm : OK
|
|
353
|
-
Test result : Success :
|
|
354
|
-
Test result : Success :
|
|
355
|
+
Test result : Success : 0 : Bio.converters.testHelmDnaToFasta : OK
|
|
356
|
+
Test result : Success : 1 : Bio.converters.testHelmRnaToFasta : OK
|
|
355
357
|
Test result : Success : 0 : Bio.converters.testHelmPtToFasta : OK
|
|
356
|
-
Test result : Success :
|
|
358
|
+
Test result : Success : 0 : Bio.converters.testHelmDnaToSeparator : OK
|
|
357
359
|
Test result : Success : 0 : Bio.converters.testHelmRnaToSeparator : OK
|
|
358
360
|
Test result : Success : 0 : Bio.converters.testHelmPtToSeparator : OK
|
|
359
|
-
Test result : Success :
|
|
361
|
+
Test result : Success : 2 : Bio.converters.testHelmLoneRibose : OK
|
|
360
362
|
Test result : Success : 3 : Bio.converters.testHelmLoneDeoxyribose : OK
|
|
361
|
-
Test result : Success :
|
|
363
|
+
Test result : Success : 1 : Bio.converters.testHelmLonePhosphorus : OK
|
|
362
364
|
Test result : Success : 0 : Bio.fastaFileHandler.testNormalFormatting : OK
|
|
363
|
-
Test result : Success :
|
|
365
|
+
Test result : Success : 1 : Bio.fastaFileHandler.testExtraSpaces : OK
|
|
364
366
|
Test result : Success : 0 : Bio.fastaFileHandler.testExtraNewlines : OK
|
|
365
|
-
Test result : Success :
|
|
366
|
-
Test result : Success :
|
|
367
|
-
Test result : Success :
|
|
368
|
-
Test result : Success :
|
|
369
|
-
Test result : Success :
|
|
367
|
+
Test result : Success : 111 : Bio.WebLogo-positions.allPositions : OK
|
|
368
|
+
Test result : Success : 116 : Bio.WebLogo-positions.positions with shrinkEmptyTail option true (filterd) : OK
|
|
369
|
+
Test result : Success : 126 : Bio.WebLogo-positions.positions with skipEmptyPositions option : OK
|
|
370
|
+
Test result : Success : 8 : Bio.checkInputColumn.testMsaPos : OK
|
|
371
|
+
Test result : Success : 2 : Bio.checkInputColumn.testMsaNegHelm : OK
|
|
370
372
|
Test result : Success : 2 : Bio.checkInputColumn.testMsaNegUN : OK
|
|
371
373
|
Test result : Success : 1 : Bio.checkInputColumn.testGetActionFunctionMeta : OK
|
|
372
374
|
</pre></div></div></div></div></body></html>
|