@datagrok/bio 2.0.17 → 2.0.18
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 +688 -597
- package/dist/package.js +526 -435
- package/package.json +9 -9
- package/src/analysis/sequence-activity-cliffs.ts +10 -10
- package/src/analysis/sequence-similarity-viewer.ts +4 -3
- package/src/calculations/monomerLevelMols.ts +5 -3
- package/src/package.ts +8 -13
- package/src/tests/WebLogo-positions-test.ts +47 -47
- package/src/tests/WebLogo-test.ts +14 -14
- package/src/tests/fasta-export-tests.ts +2 -2
- package/src/tests/splitters-test.ts +7 -6
- package/src/utils/cell-renderer.ts +24 -29
- package/src/utils/convert.ts +10 -11
- package/src/utils/save-as-fasta.ts +5 -5
- package/src/utils/utils.ts +7 -5
- package/src/viewers/vd-regions-viewer.ts +12 -15
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": "2.0.18",
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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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},
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"dependencies": {
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"@biowasm/aioli": "^3.1.0",
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"@datagrok-libraries/bio": "^
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"@datagrok-libraries/bio": "^5.0.0",
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"@datagrok-libraries/chem-meta": "1.0.1",
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"@datagrok-libraries/ml": "^6.2.0",
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"@datagrok-libraries/utils": "^1.10.1",
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"@luma.gl/constants": "^8.5.10",
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"@luma.gl/core": "^8.5.10",
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"@phylocanvas/phylocanvas.gl": "^1.44.0",
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"cash-dom": "
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"cash-dom": "^8.0.0",
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"datagrok-api": "^1.7.0",
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"dayjs": "^1.11.4",
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"openchemlib": "6.0.1",
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"@types/node": "^17.0.24",
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"@types/node-fetch": "^2.6.2",
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"@types/wu": "latest",
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"@typescript-eslint/eslint-plugin": "
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"@typescript-eslint/parser": "
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"eslint": "
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"@typescript-eslint/eslint-plugin": "^4.20.0",
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"@typescript-eslint/parser": "^4.20.0",
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"eslint": "^7.23.0",
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"eslint-config-google": "latest",
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"jest": "^27.5.1",
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"jest-html-reporter": "^3.6.0",
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"puppeteer": "^13.7.0",
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"ts-jest": "^27.0.0",
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"ts-loader": "^9.2.5",
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"typescript": "^4.
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"webpack": "
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"webpack-cli": "^4.
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"typescript": "^4.2.3",
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"webpack": "^5.64.1",
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"webpack-cli": "^4.6.0"
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},
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"scripts": {
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"link-api": "npm link datagrok-api",
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import
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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 * as ui from 'datagrok-api/ui';
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import * as DG from 'datagrok-api/dg';
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import * as bio from '@datagrok-libraries/bio';
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import {ITooltipAndPanelParams} from '@datagrok-libraries/ml/src/viewers/activity-cliffs';
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import {getSimilarityFromDistance} from '@datagrok-libraries/utils/src/similarity-metrics';
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import {AvailableMetrics} from '@datagrok-libraries/ml/src/typed-metrics';
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import
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import {SplitterFunc, WebLogo} from '@datagrok-libraries/bio/src/viewers/web-logo';
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import {UnitsHandler} from '@datagrok-libraries/bio/src/utils/units-handler';
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import {SEM_TYPES, TAGS} from '../utils/constants';
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import {TAGS} from '../utils/constants';
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import {drawMoleculeDifferenceOnCanvas} from '../utils/cell-renderer';
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export async function getDistances(col: DG.Column, seq: string): Promise<Array<number>> {
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@@ -14,7 +14,7 @@ export async function getDistances(col: DG.Column, seq: string): Promise<Array<n
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const distances = new Array(stringArray.length).fill(0);
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for (let i = 0; i < stringArray.length; ++i) {
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const distance = stringArray[i] ? AvailableMetrics['String']['Levenshtein'](stringArray[i], seq) : null;
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distances[i] = distance ? distance/Math.max((stringArray[i] as string).length, seq.length) : null;
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distances[i] = distance ? distance / Math.max((stringArray[i] as string).length, seq.length) : null;
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}
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return distances;
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}
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}
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function moleculeInfo(df: DG.DataFrame, idx: number, seqColName: string): HTMLElement {
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const dict: {[key: string]: string} = {};
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const dict: { [key: string]: string } = {};
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for (const col of df.columns) {
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if (col.name !== seqColName)
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dict[col.name] = df.get(col.name, idx);
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activitiesArray[idx] = params.activityCol.get(molIdx);
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});
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const molDifferences: {[key: number]: HTMLCanvasElement} = {};
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const molDifferences: { [key: number]: HTMLCanvasElement } = {};
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const units = params.seqCol.getTag(DG.TAGS.UNITS);
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const separator = params.seqCol.getTag(TAGS.SEPARATOR);
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const splitter =
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const splitter = bio.getSplitter(units, separator);
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const subParts1 = splitter(sequencesArray[0]);
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const subParts2 = splitter(sequencesArray[1]);
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const canvas = createDifferenceCanvas(subParts1, subParts2, units, molDifferences);
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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 * as bio from '@datagrok-libraries/bio';
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import {SequenceSearchBaseViewer} from './sequence-search-base-viewer';
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import {getMonomericMols} from '../calculations/monomerLevelMols';
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import * as C from '../utils/constants';
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import {createDifferenceCanvas, createDifferencesWithPositions} from './sequence-activity-cliffs';
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import {updateDivInnerHTML} from '../utils/ui-utils';
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import {WebLogo} from '@datagrok-libraries/bio/src/viewers/web-logo';
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import {TableView} from 'datagrok-api/dg';
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import {
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import {Subject} from 'rxjs';
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export class SequenceSimilarityViewer extends SequenceSearchBaseViewer {
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const molDifferences: { [key: number]: HTMLCanvasElement } = {};
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const units = resDf.col('sequence')!.getTag(DG.TAGS.UNITS);
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const separator = resDf.col('sequence')!.getTag(C.TAGS.SEPARATOR);
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const splitter =
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const splitter = bio.getSplitter(units, separator);
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const subParts1 = splitter(this.moleculeColumn!.get(this.targetMoleculeIdx));
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const subParts2 = splitter(resDf.get('sequence', resDf.currentRowIdx));
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const canvas = createDifferenceCanvas(subParts1, subParts2, units, molDifferences);
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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 * as bio from '@datagrok-libraries/bio';
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import * as C from '../utils/constants';
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import {getHelmMonomers} from '../package';
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import {WebLogo} from '@datagrok-libraries/bio/src/viewers/web-logo';
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const V2000_ATOM_NAME_POS = 31;
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export async function getMonomericMols(mcol: DG.Column, pattern: boolean = false): Promise<DG.Column> {
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const separator: string = mcol.tags[C.TAGS.SEPARATOR];
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const units: string = mcol.tags[DG.TAGS.UNITS];
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const splitter =
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const splitter = bio.getSplitter(units, separator);
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let molV3000Array;
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const monomersDict = new Map();
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const monomers = units === 'helm' ?
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getHelmMonomers(mcol) : Object.keys(
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getHelmMonomers(mcol) : Object.keys(bio.getStats(mcol, 0, splitter).freq).filter((it) => it !== '');
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for (let i = 0; i < monomers.length; i++)
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monomersDict.set(monomers[i], `${i + 1}`);
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package/src/package.ts
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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 * as bio from '@datagrok-libraries/bio';
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export const _package = new DG.Package();
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import {MacromoleculeDifferenceCellRenderer, MonomerCellRenderer} from './utils/cell-renderer';
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import {WebLogo, SeqColStats} from '@datagrok-libraries/bio/src/viewers/web-logo';
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import {VdRegionsViewer} from './viewers/vd-regions-viewer';
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import {runKalign, testMSAEnoughMemory} from './utils/multiple-sequence-alignment';
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import {SequenceAlignment, Aligned} from './seq_align';
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import {Nucleotides} from '@datagrok-libraries/bio/src/nucleotides';
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import {Aminoacids} from '@datagrok-libraries/bio/src/aminoacids';
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import {getEmbeddingColsNames, sequenceSpace} from './analysis/sequence-space';
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import {AvailableMetrics} from '@datagrok-libraries/ml/src/typed-metrics';
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import {getActivityCliffs} from '@datagrok-libraries/ml/src/viewers/activity-cliffs';
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import {createPropPanelElement, createTooltipElement, getSimilaritiesMarix} from './analysis/sequence-activity-cliffs';
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import {createJsonMonomerLibFromSdf, encodeMonomers, getMolfilesFromSeq, HELM_CORE_LIB_FILENAME} from './utils/utils';
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import {MacromoleculeSequenceCellRenderer} from './utils/cell-renderer';
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import {convert} from './utils/convert';
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import {getMacroMolColumnPropertyPanel, representationsWidget} from './widgets/representations';
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import {UnitsHandler} from '@datagrok-libraries/bio/src/utils/units-handler';
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import {FastaFileHandler} from '@datagrok-libraries/bio/src/utils/fasta-handler';
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import {removeEmptyStringRows} from '@datagrok-libraries/utils/src/dataframe-utils';
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import {
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generateManySequences,
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let res: boolean = true;
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let msg: string = '';
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const uh = new UnitsHandler(col);
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const uh = new bio.UnitsHandler(col);
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if (col.semType !== DG.SEMTYPE.MACROMOLECULE) {
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grok.shell.warning(name + ' analysis is allowed for Macromolecules semantic type');
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//tags: viewer, panel
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export function webLogoViewer() {
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return new WebLogo();
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return new bio.WebLogo();
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}
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//name: VdRegions
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return false;
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const colUH = new bio.UnitsHandler(col);
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} else if (colList.length > 1) {
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const colListNames: string [] = colList.map((col) => col.name);
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const selectedCol = colList.find((c) => { return (new UnitsHandler(c)).isMsa(); });
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const selectedCol = colList.find((c) => { return (new bio.UnitsHandler(c)).isMsa(); });
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ui.dialog({
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//input: string fileContent
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//output: list tables
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export function importFasta(fileContent: string): DG.DataFrame [] {
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const ffh = new FastaFileHandler(fileContent);
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const ffh = new bio.FastaFileHandler(fileContent);
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return ffh.importFasta();
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}
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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(UnitsHandler.TAGS.aligned).includes(C.MSA))
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if (!col.getTag(bio.UnitsHandler.TAGS.aligned).includes(C.MSA))
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return grok.shell.error('Splitting is applicable only for aligned sequences');
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const tempDf = splitAlignedSequences(col);
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//name: Bio: getHelmMonomers
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//input: column col {semType: Macromolecule}
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export function getHelmMonomers(seqCol: DG.Column<string>): string[] {
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const stats =
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const stats = bio.getStats(seqCol, 1, bio.splitterAsHelm);
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return Object.keys(stats.freq);
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}
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import {after, before, category, test, expect, expectObject, delay} from '@datagrok-libraries/utils/src/test';
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import
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import * as bio from '@datagrok-libraries/bio';
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import {after, before, category, test, expect, expectObject, delay} from '@datagrok-libraries/utils/src/test';
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import {Column} from 'datagrok-api/dg';
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import {ALPHABET, NOTATION, UnitsHandler} from '@datagrok-libraries/bio/src/utils/units-handler';
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@@ -41,27 +41,27 @@ ATC-G-TTGC--
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seqCol.setTag(DG.TAGS.UNITS, NOTATION.FASTA);
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seqCol.setTag(UnitsHandler.TAGS.alphabet, ALPHABET.DNA);
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const wlViewer: WebLogo = (await df.plot.fromType('WebLogo')) as WebLogo;
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const wlViewer: bio.WebLogo = (await df.plot.fromType('WebLogo')) as bio.WebLogo;
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tv.dockManager.dock(wlViewer.root, DG.DOCK_TYPE.DOWN);
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tvList.push(tv);
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dfList.push(df);
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const positions: PositionInfo[] = wlViewer['positions'];
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const resAllDf1: PositionInfo[] = [
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new PositionInfo('1', {'A': new PositionMonomerInfo(2), '-': new PositionMonomerInfo(3)}),
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new PositionInfo('2', {'T': new PositionMonomerInfo(5)}),
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new PositionInfo('3', {'C': new PositionMonomerInfo(5)}),
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new PositionInfo('4', {'-': new PositionMonomerInfo(5)}),
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new PositionInfo('5', {'G': new PositionMonomerInfo(5)}),
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new PositionInfo('6', {'-': new PositionMonomerInfo(3), 'C': new PositionMonomerInfo(2)}),
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new PositionInfo('7', {'T': new PositionMonomerInfo(5)}),
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new PositionInfo('8', {'T': new PositionMonomerInfo(5)}),
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new PositionInfo('9', {'G': new PositionMonomerInfo(5)}),
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new PositionInfo('10', {'C': new PositionMonomerInfo(5)}),
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new PositionInfo('11', {'-': new PositionMonomerInfo(5)}),
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new PositionInfo('12', {'-': new PositionMonomerInfo(5)})
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const positions: bio.PositionInfo[] = wlViewer['positions'];
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const resAllDf1: bio.PositionInfo[] = [
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new bio.PositionInfo('1', {'A': new bio.PositionMonomerInfo(2), '-': new bio.PositionMonomerInfo(3)}),
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new bio.PositionInfo('2', {'T': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('3', {'C': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('4', {'-': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('5', {'G': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('6', {'-': new bio.PositionMonomerInfo(3), 'C': new bio.PositionMonomerInfo(2)}),
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new bio.PositionInfo('7', {'T': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('8', {'T': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('9', {'G': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('10', {'C': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('11', {'-': new bio.PositionMonomerInfo(5)}),
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new bio.PositionInfo('12', {'-': new bio.PositionMonomerInfo(5)}),
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];
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expect(positions.length, resAllDf1.length);
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@@ -94,25 +94,25 @@ ATC-G-TTGC--
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return i > 2;
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});
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df.filter.fireChanged();
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const wlViewer: WebLogo = (await df.plot.fromType('WebLogo',
|
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{'shrinkEmptyTail': true})) as WebLogo;
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const wlViewer: bio.WebLogo = (await df.plot.fromType('WebLogo',
|
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{'shrinkEmptyTail': true})) as bio.WebLogo;
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tv.dockManager.dock(wlViewer.root, DG.DOCK_TYPE.DOWN);
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tvList.push(tv);
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dfList.push(df);
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const positions: PositionInfo[] = wlViewer['positions'];
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const resAllDf1: PositionInfo[] = [
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new PositionInfo('1', {'-': new PositionMonomerInfo(3)}),
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new PositionInfo('2', {'T': new PositionMonomerInfo(3)}),
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new PositionInfo('3', {'-': new PositionMonomerInfo(3)}),
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new PositionInfo('4', {'-': new PositionMonomerInfo(3)}),
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new PositionInfo('5', {'C': new PositionMonomerInfo(3)}),
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new PositionInfo('6', {'-': new PositionMonomerInfo(2), 'C': new PositionMonomerInfo(1)}),
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new PositionInfo('7', {'G': new PositionMonomerInfo(3)}),
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new PositionInfo('8', {'T': new PositionMonomerInfo(3)}),
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new PositionInfo('9', {'-': new PositionMonomerInfo(3)}),
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|
+
const positions: bio.PositionInfo[] = wlViewer['positions'];
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+
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const resAllDf1: bio.PositionInfo[] = [
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new bio.PositionInfo('1', {'-': new bio.PositionMonomerInfo(3)}),
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new bio.PositionInfo('2', {'T': new bio.PositionMonomerInfo(3)}),
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+
new bio.PositionInfo('3', {'-': new bio.PositionMonomerInfo(3)}),
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+
new bio.PositionInfo('4', {'-': new bio.PositionMonomerInfo(3)}),
|
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+
new bio.PositionInfo('5', {'C': new bio.PositionMonomerInfo(3)}),
|
|
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|
+
new bio.PositionInfo('6', {'-': new bio.PositionMonomerInfo(2), 'C': new bio.PositionMonomerInfo(1)}),
|
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+
new bio.PositionInfo('7', {'G': new bio.PositionMonomerInfo(3)}),
|
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|
+
new bio.PositionInfo('8', {'T': new bio.PositionMonomerInfo(3)}),
|
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|
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new bio.PositionInfo('9', {'-': new bio.PositionMonomerInfo(3)}),
|
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];
|
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|
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expect(positions.length, resAllDf1.length);
|
|
@@ -134,25 +134,25 @@ ATC-G-TTGC--
|
|
|
134
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|
seqCol.setTag(DG.TAGS.UNITS, NOTATION.FASTA);
|
|
135
135
|
seqCol.setTag(UnitsHandler.TAGS.alphabet, ALPHABET.DNA);
|
|
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136
|
|
|
137
|
-
const wlViewer: WebLogo = (await df.plot.fromType('WebLogo',
|
|
138
|
-
{'skipEmptyPositions': true})) as WebLogo;
|
|
137
|
+
const wlViewer: bio.WebLogo = (await df.plot.fromType('WebLogo',
|
|
138
|
+
{'skipEmptyPositions': true})) as bio.WebLogo;
|
|
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|
tv.dockManager.dock(wlViewer.root, DG.DOCK_TYPE.DOWN);
|
|
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|
|
|
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|
tvList.push(tv);
|
|
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|
dfList.push(df);
|
|
143
143
|
|
|
144
|
-
const positions: PositionInfo[] = wlViewer['positions'];
|
|
145
|
-
|
|
146
|
-
const resAllDf1: PositionInfo[] = [
|
|
147
|
-
new PositionInfo('1', {'A': new PositionMonomerInfo(2), '-': new PositionMonomerInfo(3)}),
|
|
148
|
-
new PositionInfo('2', {'T': new PositionMonomerInfo(5)}),
|
|
149
|
-
new PositionInfo('3', {'C': new PositionMonomerInfo(5)}),
|
|
150
|
-
new PositionInfo('5', {'G': new PositionMonomerInfo(5)}),
|
|
151
|
-
new PositionInfo('6', {'-': new PositionMonomerInfo(3), 'C': new PositionMonomerInfo(2)}),
|
|
152
|
-
new PositionInfo('7', {'T': new PositionMonomerInfo(5)}),
|
|
153
|
-
new PositionInfo('8', {'T': new PositionMonomerInfo(5)}),
|
|
154
|
-
new PositionInfo('9', {'G': new PositionMonomerInfo(5)}),
|
|
155
|
-
new PositionInfo('10', {'C': new PositionMonomerInfo(5)})
|
|
144
|
+
const positions: bio.PositionInfo[] = wlViewer['positions'];
|
|
145
|
+
|
|
146
|
+
const resAllDf1: bio.PositionInfo[] = [
|
|
147
|
+
new bio.PositionInfo('1', {'A': new bio.PositionMonomerInfo(2), '-': new bio.PositionMonomerInfo(3)}),
|
|
148
|
+
new bio.PositionInfo('2', {'T': new bio.PositionMonomerInfo(5)}),
|
|
149
|
+
new bio.PositionInfo('3', {'C': new bio.PositionMonomerInfo(5)}),
|
|
150
|
+
new bio.PositionInfo('5', {'G': new bio.PositionMonomerInfo(5)}),
|
|
151
|
+
new bio.PositionInfo('6', {'-': new bio.PositionMonomerInfo(3), 'C': new bio.PositionMonomerInfo(2)}),
|
|
152
|
+
new bio.PositionInfo('7', {'T': new bio.PositionMonomerInfo(5)}),
|
|
153
|
+
new bio.PositionInfo('8', {'T': new bio.PositionMonomerInfo(5)}),
|
|
154
|
+
new bio.PositionInfo('9', {'G': new bio.PositionMonomerInfo(5)}),
|
|
155
|
+
new bio.PositionInfo('10', {'C': new bio.PositionMonomerInfo(5)})
|
|
156
156
|
];
|
|
157
157
|
|
|
158
158
|
expect(positions.length, resAllDf1.length);
|
|
@@ -1,9 +1,9 @@
|
|
|
1
|
-
import {after, before, category, test, expect, expectObject} from '@datagrok-libraries/utils/src/test';
|
|
2
|
-
|
|
3
1
|
import * as grok from 'datagrok-api/grok';
|
|
4
2
|
import * as ui from 'datagrok-api/ui';
|
|
5
3
|
import * as DG from 'datagrok-api/dg';
|
|
4
|
+
import * as bio from '@datagrok-libraries/bio';
|
|
6
5
|
|
|
6
|
+
import {after, before, category, test, expect, expectObject} from '@datagrok-libraries/utils/src/test';
|
|
7
7
|
import {Nucleotides, NucleotidesPalettes} from '@datagrok-libraries/bio/src/nucleotides';
|
|
8
8
|
import {Aminoacids, AminoacidsPalettes} from '@datagrok-libraries/bio/src/aminoacids';
|
|
9
9
|
import {WebLogo} from '@datagrok-libraries/bio/src/viewers/web-logo';
|
|
@@ -63,19 +63,19 @@ XZJ{}2
|
|
|
63
63
|
|
|
64
64
|
category('WebLogo.monomerToShort', () => {
|
|
65
65
|
test('longMonomerSingle', async () => {
|
|
66
|
-
await expect(
|
|
66
|
+
await expect(bio.monomerToShort('S', 5), 'S');
|
|
67
67
|
});
|
|
68
68
|
test('longMonomerShort', async () => {
|
|
69
|
-
await expect(
|
|
69
|
+
await expect(bio.monomerToShort('Short', 5), 'Short');
|
|
70
70
|
});
|
|
71
71
|
test('longMonomerLong56', async () => {
|
|
72
|
-
await expect(
|
|
72
|
+
await expect(bio.monomerToShort('Long56', 5), 'Long5…');
|
|
73
73
|
});
|
|
74
74
|
test('longMonomerComplexFirstPartShort', async () => {
|
|
75
|
-
await expect(
|
|
75
|
+
await expect(bio.monomerToShort('Long-long', 5), 'Long…');
|
|
76
76
|
});
|
|
77
77
|
test('longMonomerComplexFirstPartLong56', async () => {
|
|
78
|
-
await expect(
|
|
78
|
+
await expect(bio.monomerToShort('Long56-long', 5), 'Long5…');
|
|
79
79
|
});
|
|
80
80
|
});
|
|
81
81
|
|
|
@@ -83,7 +83,7 @@ category('WebLogo.monomerToShort', () => {
|
|
|
83
83
|
export async function _testGetStats(csvDfN1: string) {
|
|
84
84
|
const dfN1: DG.DataFrame = DG.DataFrame.fromCsv(csvDfN1);
|
|
85
85
|
const seqCol: DG.Column = dfN1.col('seq')!;
|
|
86
|
-
const stats =
|
|
86
|
+
const stats = bio.getStats(seqCol, 5, bio.splitterAsFasta);
|
|
87
87
|
|
|
88
88
|
expectObject(stats.freq, {
|
|
89
89
|
'A': 4,
|
|
@@ -103,7 +103,7 @@ export async function _testGetAlphabetSimilarity() {
|
|
|
103
103
|
'-': 1000
|
|
104
104
|
};
|
|
105
105
|
const alphabet: Set<string> = new Set(Object.keys(Nucleotides.Names));
|
|
106
|
-
const res =
|
|
106
|
+
const res = bio.getAlphabetSimilarity(freq, alphabet);
|
|
107
107
|
|
|
108
108
|
expect(res > 0.6, true);
|
|
109
109
|
}
|
|
@@ -111,7 +111,7 @@ export async function _testGetAlphabetSimilarity() {
|
|
|
111
111
|
export async function _testPickupPaletteN1(csvDfN1: string) {
|
|
112
112
|
const df: DG.DataFrame = DG.DataFrame.fromCsv(csvDfN1);
|
|
113
113
|
const col: DG.Column = df.col('seq')!;
|
|
114
|
-
const cp =
|
|
114
|
+
const cp = bio.pickUpPalette(col);
|
|
115
115
|
|
|
116
116
|
expect(cp instanceof NucleotidesPalettes, true);
|
|
117
117
|
}
|
|
@@ -119,7 +119,7 @@ export async function _testPickupPaletteN1(csvDfN1: string) {
|
|
|
119
119
|
export async function _testPickupPaletteN1e(csvDfN1e: string) {
|
|
120
120
|
const df: DG.DataFrame = DG.DataFrame.fromCsv(csvDfN1e);
|
|
121
121
|
const col: DG.Column = df.col('seq')!;
|
|
122
|
-
const cp =
|
|
122
|
+
const cp = bio.pickUpPalette(col);
|
|
123
123
|
|
|
124
124
|
expect(cp instanceof NucleotidesPalettes, true);
|
|
125
125
|
}
|
|
@@ -127,7 +127,7 @@ export async function _testPickupPaletteN1e(csvDfN1e: string) {
|
|
|
127
127
|
export async function _testPickupPaletteAA1(csvDfAA1: string) {
|
|
128
128
|
const df: DG.DataFrame = DG.DataFrame.fromCsv(csvDfAA1);
|
|
129
129
|
const col: DG.Column = df.col('seq')!;
|
|
130
|
-
const cp =
|
|
130
|
+
const cp = bio.pickUpPalette(col);
|
|
131
131
|
|
|
132
132
|
expect(cp instanceof AminoacidsPalettes, true);
|
|
133
133
|
}
|
|
@@ -135,14 +135,14 @@ export async function _testPickupPaletteAA1(csvDfAA1: string) {
|
|
|
135
135
|
export async function _testPickupPaletteX(csvDfX: string) {
|
|
136
136
|
const df: DG.DataFrame = DG.DataFrame.fromCsv(csvDfX);
|
|
137
137
|
const col: DG.Column = df.col('seq')!;
|
|
138
|
-
const cp =
|
|
138
|
+
const cp = bio.pickUpPalette(col);
|
|
139
139
|
|
|
140
140
|
expect(cp instanceof UnknownSeqPalette, true);
|
|
141
141
|
}
|
|
142
142
|
|
|
143
143
|
export async function _testPickupPaletteAA2(dfAA2: DG.DataFrame) {
|
|
144
144
|
const seqCol: DG.Column = dfAA2.col('seq')!;
|
|
145
|
-
const cp =
|
|
145
|
+
const cp = bio.pickUpPalette(seqCol);
|
|
146
146
|
|
|
147
147
|
expect(cp instanceof AminoacidsPalettes, true);
|
|
148
148
|
}
|
|
@@ -1,10 +1,10 @@
|
|
|
1
1
|
import * as DG from 'datagrok-api/dg';
|
|
2
2
|
import * as ui from 'datagrok-api/ui';
|
|
3
3
|
import * as grok from 'datagrok-api/grok';
|
|
4
|
+
import * as bio from '@datagrok-libraries/bio';
|
|
4
5
|
|
|
5
6
|
import {category, expect, expectArray, test} from '@datagrok-libraries/utils/src/test';
|
|
6
7
|
import {saveAsFastaDo, wrapSequence} from '../utils/save-as-fasta';
|
|
7
|
-
import {WebLogo} from '@datagrok-libraries/bio/src/viewers/web-logo';
|
|
8
8
|
|
|
9
9
|
type SaveAsFastaTestArgs = { srcCsv: string, idCols: string [], seqCol: string, lineWidth: number, tgtFasta: string };
|
|
10
10
|
|
|
@@ -88,7 +88,7 @@ MRGGL
|
|
|
88
88
|
});
|
|
89
89
|
|
|
90
90
|
function _testWrapSequence(testKey: string, lineWidth: number = 10) {
|
|
91
|
-
const splitter =
|
|
91
|
+
const splitter = bio.splitterAsFasta;
|
|
92
92
|
|
|
93
93
|
const srcSeq: string = wrapData[testKey].src;
|
|
94
94
|
const wrapRes: string[] = wrapSequence(srcSeq, splitter, lineWidth);
|
|
@@ -1,11 +1,12 @@
|
|
|
1
|
-
import {after, before, category, test, expect, expectArray, expectObject} from '@datagrok-libraries/utils/src/test';
|
|
2
|
-
|
|
3
1
|
import * as grok from 'datagrok-api/grok';
|
|
4
2
|
import * as ui from 'datagrok-api/ui';
|
|
5
3
|
import * as DG from 'datagrok-api/dg';
|
|
6
|
-
import
|
|
7
|
-
|
|
4
|
+
import * as bio from '@datagrok-libraries/bio';
|
|
5
|
+
|
|
6
|
+
import {after, before, category, test, expect, expectArray, expectObject} from '@datagrok-libraries/utils/src/test';
|
|
8
7
|
import * as C from '../utils/constants';
|
|
8
|
+
import {splitToMonomers, _package, getHelmMonomers} from '../package';
|
|
9
|
+
|
|
9
10
|
|
|
10
11
|
category('splitters', () => {
|
|
11
12
|
let tvList: DG.TableView[];
|
|
@@ -121,13 +122,13 @@ PEPTIDE1{hHis.Aca.Cys_SEt}$$$,5.72388
|
|
|
121
122
|
});
|
|
122
123
|
|
|
123
124
|
export async function _testFastaSplitter(src: string, tgt: string[]) {
|
|
124
|
-
const res: string[] =
|
|
125
|
+
const res: string[] = bio.splitterAsFasta(src);
|
|
125
126
|
console.debug(`Bio: tests: splitters: src=${JSON.stringify(src)}, res=${JSON.stringify(res)} .`);
|
|
126
127
|
expectArray(res, tgt);
|
|
127
128
|
}
|
|
128
129
|
|
|
129
130
|
export async function _testHelmSplitter(src: string, tgt: string[]) {
|
|
130
|
-
const res: string[] =
|
|
131
|
+
const res: string[] = bio.splitterAsHelm(src);
|
|
131
132
|
console.debug(`Bio: tests: splitters: src=${JSON.stringify(src)}, res=${JSON.stringify(res)} .`);
|
|
132
133
|
expectArray(res, tgt);
|
|
133
134
|
}
|