@datagrok/bio 2.1.1 → 2.1.2
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/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": "2.1.2",
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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": "^3.1.0",
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"@datagrok-libraries/bio": "^5.9.
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"@datagrok-libraries/bio": "^5.9.14",
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"@datagrok-libraries/chem-meta": "1.0.1",
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"@datagrok-libraries/ml": "^6.2.2",
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"@datagrok-libraries/utils": "^1.14.1",
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@@ -47,7 +47,7 @@
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"webpack-cli": "^4.6.0"
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},
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"grokDependencies": {
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"@datagrok/chem": "
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"@datagrok/chem": "latest",
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"@datagrok/helm": "latest"
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},
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"scripts": {
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package/src/package.ts
CHANGED
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@@ -44,6 +44,7 @@ import {Monomer, IMonomerLib, MonomerWorks, MonomerLib, readLibrary,
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const STORAGE_NAME = 'Libraries';
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const LIB_PATH = 'System:AppData/Bio/libraries';
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const LIBS_PATH = 'libraries/';
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let monomerLib: IMonomerLib | null = null;
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export let hydrophobPalette: SeqPaletteCustom | null = null;
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@@ -127,7 +128,7 @@ export async function libraryPanel(seqColumn: DG.Column): Promise<DG.Widget> {
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//@ts-ignore
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let filesButton: HTMLButtonElement = ui.button('Manage', manageFiles);
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let divInputs: HTMLDivElement = ui.div();
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let librariesList: string[] = (await _package.files.list(`${
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let librariesList: string[] = (await _package.files.list(`${LIBS_PATH}`, false, '')).map(it => it.fileName);
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let uploadedLibraries: string[] = Object.values(await grok.dapi.userDataStorage.get(STORAGE_NAME, true));
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for (let i = 0; i < uploadedLibraries.length; ++i) {
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let libraryName: string = uploadedLibraries[i];
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@@ -0,0 +1,30 @@
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/* Do not change these import lines to match external modules in webpack configuration */
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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 {category, expectArray, test} from '@datagrok-libraries/utils/src/test';
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import {FastaFileHandler} from '@datagrok-libraries/bio/src/utils/fasta-handler';
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import {UnitsHandler} from '@datagrok-libraries/bio/src/utils/units-handler';
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category('monomer lib', () => {
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// test('monomerManager', async() => {
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// const df: DG.DataFrame = DG.DataFrame.fromCsv(await _package.files.readAsText('tests/test.csv'));
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// grok.shell.addTableView(df);
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// await grok.functions.call('Helm:monomerManager', {value: 'HELMCoreLibrary.json'});
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// const checkName = '2-Chloroadenine';
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// let flag = false;
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// const types = Object.keys(org.helm.webeditor.monomerTypeList());
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// const monomers: any = [];
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// for (var i = 0; i < types.length; i++) {
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// //@ts-ignore
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// monomers.push(new scil.helm.Monomers.getMonomerSet(types[i]));
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// Object.keys(monomers[i]).forEach(k => {
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// if (monomers[i][k].n == checkName){
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// flag = true;
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// }
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// });
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// }
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// expect(flag, true);
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// });
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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=62cc009524f3. Commit 73ccfff9.</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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@@ -229,17 +229,18 @@ 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=62cc009524f3. Commit 73ccfff9.</h1></header><div id="metadata-container"><div id="timestamp">Started: 2022-11-09 13:55:52</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">33.083s</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">22.595s</div></div><div class="failureMessages"> <pre class="failureMsg">Error: Test result : Failed : 205 : Bio.splitters.splitToMonomers : TypeError: Cannot read properties of undefined (reading 'push')
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Test result : Failed : 0 : Bio.splitters.init : TypeError: Cannot read properties of undefined (reading 'forEach')
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Test result : Failed : 0 : Bio.splitters.init : TypeError: Cannot read properties of null (reading 'getMonomerMolsByType')
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Test result : Failed : 289 : Bio.renderers.rendererMacromoleculeFasta : TypeError: Cannot read properties of undefined (reading 'push')
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Test result : Failed : 208 : Bio.renderers.rendererMacromoleculeSeparator : TypeError: Cannot read properties of undefined (reading 'push')
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Test result : Failed : 63 : Bio.renderers.rendererMacromoleculeDifference : TypeError: Cannot read properties of undefined (reading 'push')
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Test result : Failed : 364 : Bio.renderers.afterMsa : TypeError: Cannot read properties of undefined (reading 'push')
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Test result : Failed : 220 : Bio.renderers.afterConvert : TypeError: Cannot read properties of undefined (reading 'push')
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Test result : Failed : 67 : Bio.renderers.selectRendererBySemType : TypeError: Cannot read properties of undefined (reading 'push')
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Test result : Failed : 0 : Bio.renderers.init : TypeError: Cannot read properties of undefined (reading 'forEach')
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Test result : Failed : 0 : Bio.renderers.init : TypeError: Cannot read properties of null (reading 'getMonomerMolsByType')
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Test result : Failed : 1513 : Bio.substructureFilters.helm : Error: Expected "2", got "0"
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at /home/runner/work/public/public/packages/Bio/src/__jest__/remote.test.ts:70:20
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at Generator.next (<anonymous>)
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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 : 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 : 120 : Bio.detectors.NegativeEmpty : OK
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Test result : Success : 108 : Bio.detectors.Negative1 : OK
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Test result : Success : 41 : Bio.detectors.Negative2 : OK
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Test result : Success : 16 : Bio.detectors.Negative3 : OK
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Test result : Success : 540 : Bio.detectors.NegativeSmiles : OK
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Test result : Success : 52 : Bio.detectors.Dna1 : OK
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Test result : Success : 12 : Bio.detectors.Rna1 : OK
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Test result : Success : 15 : Bio.detectors.AA1 : OK
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Test result : Success : 11 : Bio.detectors.MsaDna1 : OK
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Test result : Success : 16 : Bio.detectors.MsaAA1 : OK
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Test result : Success : 15 : Bio.detectors.SepDna : OK
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Test result : Success : 14 : Bio.detectors.SepRna : OK
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Test result : Success : 25 : Bio.detectors.SepPt : OK
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Test result : Success : 27 : Bio.detectors.SepUn1 : OK
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Test result : Success : 9 : Bio.detectors.SepUn2 : OK
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Test result : Success : 31 : Bio.detectors.SepMsaN1 : OK
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Test result : Success : 508 : Bio.detectors.SamplesFastaCsvPt : OK
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Test result : Success : 15 : Bio.detectors.SamplesFastaCsvNegativeEntry : OK
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Test result : Success : 14 : Bio.detectors.SamplesFastaCsvNegativeLength : OK
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Test result : Success : 94 : Bio.detectors.SamplesFastaCsvNegativeUniProtKB : OK
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Test result : Success : 247 : Bio.detectors.SamplesFastaFastaPt : OK
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Test result : Success : 1067 : Bio.detectors.samplesPeptidesComplexNegativeID : OK
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Test result : Success : 34 : Bio.detectors.SamplesPeptidesComplexNegativeMeasured : OK
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Test result : Success : 183 : Bio.detectors.SamplesPeptidesComplexNegativeValue : OK
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Test result : Success : 259 : Bio.detectors.samplesMsaComplexUn : OK
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Test result : Success : 43 : Bio.detectors.samplesMsaComplexNegativeActivity : OK
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Test result : Success : 187 : Bio.detectors.samplesIdCsvNegativeID : OK
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Test result : Success : 141 : Bio.detectors.samplesSarSmallCsvNegativeSmiles : OK
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Test result : Success : 187 : Bio.detectors.samplesHelmCsvHELM : OK
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Test result : Success : 19 : Bio.detectors.samplesHelmCsvNegativeActivity : OK
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Test result : Success : 145 : Bio.detectors.samplesTestHelmNegativeID : OK
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Test result : Success : 5 : Bio.detectors.samplesTestHelmNegativeTestType : OK
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Test result : Success : 11 : Bio.detectors.samplesTestHelmPositiveHelmString : OK
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Test result : Success : 4 : Bio.detectors.samplesTestHelmNegativeValid : OK
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Test result : Success : 14 : Bio.detectors.samplesTestHelmNegativeMolWeight : OK
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Test result : Success : 16 : Bio.detectors.samplesTestHelmNegativeMolFormula : OK
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Test result : Success : 4 : Bio.detectors.samplesTestHelmNegativeSmiles : OK
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Test result : Success : 988 : Bio.detectors.samplesTestDemogNegativeAll : OK
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Test result : Success : 321 : Bio.detectors.samplesTestSmiles2NegativeSmiles : OK
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Test result : Success : 114 : Bio.detectors.samplesTestActivityCliffsNegativeSmiles : OK
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Test result : Success : 117 : Bio.detectors.samplesFastaPtPosSequence : OK
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Test result : Success : 114 : Bio.detectors.samplesTestCerealNegativeCerealName : OK
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Test result : Success : 170 : Bio.detectors.samplesTestSpgi100NegativeStereoCategory : OK
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Test result : Success : 4 : Bio.detectors.samplesTestSpgi100NegativeScaffoldNames : OK
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Test result : Success : 4 : Bio.detectors.samplesTestSpgi100NegativePrimaryScaffoldName : OK
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Test result : Success : 4 : Bio.detectors.samplesTestSpgi100NegativeSampleName : OK
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Test result : Success : 132 : Bio.detectors.samplesTestUnichemSourcesNegativeSrcUrl : OK
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Test result : Success : 4 : Bio.detectors.samplesTestUnichemSourcesNegativeBaseIdUrl : OK
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Test result : Success : 123 : Bio.detectors.samplesTestDmvOfficesNegativeOfficeName : OK
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Test result : Success : 5 : Bio.detectors.samplesTestDmvOfficesNegativeCity : OK
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Test result : Success : 131 : Bio.detectors.samplesTestAlertCollectionNegativeSmarts : OK
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Test result : Success : 1887 : Bio.MSA.isCorrect : OK
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Test result : Success : 72 : Bio.MSA.isCorrectLong : OK
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Test result : Success : 910 : Bio.sequenceSpace.sequenceSpaceOpens : OK
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Test result : Success : 438 : Bio.sequenceSpace.sequenceSpaceWithEmptyRows : OK
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Test result : Success : 691 : Bio.activityCliffs.activityCliffsOpens : OK
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Test result : Success : 694 : 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 : 1 : 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 : 2 : Bio.splitters.getHelmMonomers : OK
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Test result : Success : 79 : Bio.renderers.long sequence performance : OK
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Test result : Success : 787 : Bio.renderers.many sequence performance : OK
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Test result : Success : 0 : Bio.renderers.setRendererManually : GROK-11212
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Test result : Success : 5 : Bio.converters.testFastaPtToSeparator : OK
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Test result : Success : 4 : Bio.converters.testFastaDnaToSeparator : OK
|
|
336
|
+
Test result : Success : 3 : Bio.converters.testFastaRnaToSeparator : OK
|
|
337
|
+
Test result : Success : 4 : Bio.converters.testFastaGapsToSeparator : OK
|
|
337
338
|
Test result : Success : 2 : Bio.converters.testFastaPtToHelm : OK
|
|
338
339
|
Test result : Success : 1 : Bio.converters.testFastaDnaToHelm : OK
|
|
339
|
-
Test result : Success :
|
|
340
|
-
Test result : Success :
|
|
340
|
+
Test result : Success : 1 : Bio.converters.testFastaRnaToHelm : OK
|
|
341
|
+
Test result : Success : 2 : Bio.converters.testFastaGapsToHelm : OK
|
|
341
342
|
Test result : Success : 1 : Bio.converters.testSeparatorPtToFasta : OK
|
|
342
|
-
Test result : Success :
|
|
343
|
-
Test result : Success :
|
|
344
|
-
Test result : Success :
|
|
343
|
+
Test result : Success : 1 : Bio.converters.testSeparatorDnaToFasta : OK
|
|
344
|
+
Test result : Success : 0 : Bio.converters.testSeparatorRnaToFasta : OK
|
|
345
|
+
Test result : Success : 1 : Bio.converters.testSeparatorGapsToFasta : OK
|
|
345
346
|
Test result : Success : 0 : Bio.converters.testSeparatorPtToHelm : OK
|
|
346
|
-
Test result : Success :
|
|
347
|
+
Test result : Success : 1 : Bio.converters.testSeparatorDnaToHelm : OK
|
|
347
348
|
Test result : Success : 0 : Bio.converters.testSeparatorRnaToHelm : OK
|
|
348
349
|
Test result : Success : 1 : Bio.converters.testSeparatorGapsToHelm : OK
|
|
349
|
-
Test result : Success :
|
|
350
|
+
Test result : Success : 1 : Bio.converters.testHelmDnaToFasta : OK
|
|
350
351
|
Test result : Success : 0 : Bio.converters.testHelmRnaToFasta : OK
|
|
351
352
|
Test result : Success : 0 : Bio.converters.testHelmPtToFasta : OK
|
|
352
353
|
Test result : Success : 0 : Bio.converters.testHelmDnaToSeparator : OK
|
|
353
354
|
Test result : Success : 0 : Bio.converters.testHelmRnaToSeparator : OK
|
|
354
|
-
Test result : Success :
|
|
355
|
-
Test result : Success :
|
|
355
|
+
Test result : Success : 0 : Bio.converters.testHelmPtToSeparator : OK
|
|
356
|
+
Test result : Success : 2 : Bio.converters.testHelmLoneRibose : OK
|
|
356
357
|
Test result : Success : 2 : Bio.converters.testHelmLoneDeoxyribose : OK
|
|
357
|
-
Test result : Success :
|
|
358
|
+
Test result : Success : 2 : Bio.converters.testHelmLonePhosphorus : OK
|
|
358
359
|
Test result : Success : 1 : Bio.fastaFileHandler.testNormalFormatting : OK
|
|
359
360
|
Test result : Success : 0 : Bio.fastaFileHandler.testExtraSpaces : OK
|
|
360
361
|
Test result : Success : 0 : Bio.fastaFileHandler.testExtraNewlines : OK
|
|
361
|
-
Test result : Success :
|
|
362
|
+
Test result : Success : 1 : Bio.fastaExport.wrapSequenceSingle : OK
|
|
362
363
|
Test result : Success : 0 : Bio.fastaExport.wrapSequenceMulti : OK
|
|
363
|
-
Test result : Success :
|
|
364
|
+
Test result : Success : 2 : Bio.fastaExport.saveAsFastaTest1 : OK
|
|
364
365
|
Test result : Success : 1 : Bio.fastaExport.saveAsFastaTest2 : OK
|
|
365
366
|
Test result : Success : 1 : Bio.bio.testGetStatsHelm1 : OK
|
|
366
367
|
Test result : Success : 1 : Bio.bio.testGetStatsN1 : OK
|
|
367
|
-
Test result : Success :
|
|
368
|
+
Test result : Success : 1 : Bio.bio.testGetAlphabetSimilarity : OK
|
|
368
369
|
Test result : Success : 1 : Bio.bio.testPickupPaletteN1 : OK
|
|
369
|
-
Test result : Success :
|
|
370
|
-
Test result : Success :
|
|
370
|
+
Test result : Success : 2 : Bio.bio.testPickupPaletteN1e : OK
|
|
371
|
+
Test result : Success : 2 : Bio.bio.testPickupPaletteAA1 : OK
|
|
371
372
|
Test result : Success : 1 : Bio.bio.testPickupPaletteX : OK
|
|
372
373
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerSingle : OK
|
|
373
374
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerShort : OK
|
|
374
|
-
Test result : Success :
|
|
375
|
+
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerLong56 : OK
|
|
375
376
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerComplexFirstPartShort : OK
|
|
376
377
|
Test result : Success : 0 : Bio.WebLogo.monomerToShort.longMonomerComplexFirstPartLong56 : OK
|
|
377
|
-
Test result : Success :
|
|
378
|
-
Test result : Success :
|
|
379
|
-
Test result : Success :
|
|
380
|
-
Test result : Success :
|
|
378
|
+
Test result : Success : 110 : Bio.WebLogo-positions.allPositions : OK
|
|
379
|
+
Test result : Success : 88 : Bio.WebLogo-positions.positions with shrinkEmptyTail option true (filterd) : OK
|
|
380
|
+
Test result : Success : 95 : Bio.WebLogo-positions.positions with skipEmptyPositions option : OK
|
|
381
|
+
Test result : Success : 5 : Bio.checkInputColumn.testMsaPos : OK
|
|
381
382
|
Test result : Success : 1 : Bio.checkInputColumn.testMsaNegHelm : OK
|
|
382
|
-
Test result : Success :
|
|
383
|
+
Test result : Success : 2 : Bio.checkInputColumn.testMsaNegUN : OK
|
|
383
384
|
Test result : Success : 0 : Bio.checkInputColumn.testGetActionFunctionMeta : OK
|
|
384
|
-
Test result : Success :
|
|
385
|
-
Test result : Success :
|
|
386
|
-
Test result : Success :
|
|
387
|
-
Test result : Success :
|
|
388
|
-
Test result : Success : 1950 : Bio.substructureFilters.helm : OK
|
|
385
|
+
Test result : Success : 394 : Bio.similarity/diversity.similaritySearchViewer : OK
|
|
386
|
+
Test result : Success : 251 : Bio.similarity/diversity.diversitySearchViewer : OK
|
|
387
|
+
Test result : Success : 202 : Bio.substructureFilters.fasta : OK
|
|
388
|
+
Test result : Success : 403 : Bio.substructureFilters.separator : OK
|
|
389
389
|
</pre></div></div></div></div></body></html>
|