@datagrok/bio 2.0.30 → 2.0.31
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/dist/package-test.js +127 -70
- package/dist/package.js +106 -60
- package/package.json +4 -4
- package/src/tests/activity-cliffs-utils.ts +11 -10
- package/src/tests/renderers-test.ts +1 -1
- package/src/tests/substructure-filter-tests.ts +13 -1
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": "2.0.31",
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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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@@ -14,12 +14,12 @@
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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.
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"@datagrok-libraries/bio": "^5.8.0",
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"@datagrok-libraries/chem-meta": "1.0.1",
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"@datagrok-libraries/ml": "^6.2.1",
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"@datagrok-libraries/utils": "^1.
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"@datagrok-libraries/utils": "^1.14.1",
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"cash-dom": "^8.0.0",
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"datagrok-api": "^1.
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"datagrok-api": "^1.8.1",
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"dayjs": "^1.11.4",
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"openchemlib": "6.0.1",
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"rxjs": "^6.5.5",
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@@ -1,20 +1,21 @@
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import * as DG from 'datagrok-api/dg';
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import * as grok from 'datagrok-api/grok';
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import {delay, expect} from '@datagrok-libraries/utils/src/test';
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import {_package} from '../package-test';
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import {
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import * as grok from 'datagrok-api/grok';
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import {activityCliffs} from '../package';
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export async function _testActivityCliffsOpen(df: DG.DataFrame, numberCliffs: number, method: string, colName: string) {
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await grok.data.detectSemanticTypes(df);
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const scatterPlot = await activityCliffs(
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df,
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df.col(colName)!,
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df.col('Activity')!,
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90,
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method);
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expect(scatterPlot != null, true);
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const cliffsLink = Array.from(scatterPlot!.root.children).filter(it => it.className === 'ui-btn ui-btn-ok');
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expect((cliffsLink[0] as HTMLElement).innerText.toLowerCase(), `${numberCliffs} cliffs`);
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}
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@@ -58,7 +58,7 @@ category('renderers', () => {
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test('setRendererManually', async () => {
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await _setRendererManually();
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});
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}, {skipReason: 'GROK-11212'});
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async function _rendererMacromoleculeFasta() {
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const csv: string = await grok.dapi.files.readAsText('System:AppData/Bio/samples/sample_FASTA.csv');
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@@ -45,9 +45,21 @@ category('substructureFilters', async () => {
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const filter = new BioSubstructureFilter();
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await grok.data.detectSemanticTypes(helm);
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filter.attach(helm);
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const helmFilterChanged = new Promise((resolve, reject) => {
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helm.onFilterChanged.subscribe(async (_: any) => {
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try {
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resolve(true);
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} catch (error) {
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reject(error);
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}
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});
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});
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(filter.bioFilter! as HelmFilter).helmSubstructure = 'PEPTIDE1{C}$$$$V2.0';
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filter.bioFilter!.onChanged.next();
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await
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await helmFilterChanged;
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//await delay(3000);
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expect(filter.dataFrame!.filter.trueCount, 2);
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expect(filter.dataFrame!.filter.get(0), true);
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expect(filter.dataFrame!.filter.get(3), true);
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