@datagrok/bio 2.10.16 → 2.10.22
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/CHANGELOG.md +2 -0
- package/dist/1.js +1 -1
- package/dist/1.js.map +1 -1
- package/dist/172.js +2 -0
- package/dist/172.js.map +1 -0
- package/dist/190.js +1 -1
- package/dist/190.js.map +1 -1
- package/dist/196.js +3 -0
- package/dist/196.js.LICENSE.txt +51 -0
- package/dist/196.js.map +1 -0
- package/dist/361.js +1 -1
- package/dist/361.js.map +1 -1
- package/dist/381.js +1 -1
- package/dist/381.js.map +1 -1
- package/dist/79.js +1 -1
- package/dist/79.js.map +1 -1
- package/dist/868.js +1 -1
- package/dist/868.js.map +1 -1
- package/dist/package-test.js +2 -1
- package/dist/package-test.js.LICENSE.txt +51 -0
- package/dist/package-test.js.map +1 -1
- package/dist/package.js +2 -1
- package/dist/package.js.LICENSE.txt +51 -0
- package/dist/package.js.map +1 -1
- package/package.json +5 -4
- package/src/analysis/sequence-space.ts +44 -24
- package/src/package.ts +112 -49
- package/src/tests/activity-cliffs-tests.ts +2 -2
- package/src/tests/activity-cliffs-utils.ts +2 -2
- package/src/tests/converters-test.ts +15 -15
- package/src/tests/sequence-space-test.ts +4 -4
- package/src/tests/sequence-space-utils.ts +3 -2
- package/src/utils/cell-renderer.ts +2 -0
- package/src/viewers/vd-regions-viewer.ts +2 -1
- package/dist/440.js +0 -2
- package/dist/440.js.map +0 -1
- package/dist/452.js +0 -2
- package/dist/452.js.map +0 -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": "2.10.
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"version": "2.10.22",
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"description": "Bioinformatics support (import/export of sequences, conversion, visualization, analysis). [See more](https://github.com/datagrok-ai/public/blob/master/packages/Bio/README.md) for details.",
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"repository": {
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"type": "git",
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@@ -34,9 +34,9 @@
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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": "^5.38.
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"@datagrok-libraries/bio": "^5.38.11",
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"@datagrok-libraries/chem-meta": "^1.0.1",
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"@datagrok-libraries/ml": "^6.3.
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"@datagrok-libraries/ml": "^6.3.49",
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"@datagrok-libraries/tutorials": "^1.3.6",
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"@datagrok-libraries/utils": "^4.0.17",
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"cash-dom": "^8.0.0",
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@@ -64,7 +64,8 @@
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"webpack-bundle-analyzer": "latest",
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"webpack-cli": "^4.9.1",
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"@datagrok/chem": "1.7.2",
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"@datagrok/helm": "2.1.17"
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"@datagrok/helm": "2.1.17",
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"@datagrok/dendrogram": "^1.2.20"
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},
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"scripts": {
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"link-api": "npm link datagrok-api",
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@@ -3,7 +3,9 @@ import {reduceDimensinalityWithNormalization} from '@datagrok-libraries/ml/src/s
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import {BitArrayMetrics, StringMetrics} from '@datagrok-libraries/ml/src/typed-metrics';
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import {ISequenceSpaceParams} from '@datagrok-libraries/ml/src/viewers/activity-cliffs';
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import {invalidateMols, MONOMERIC_COL_TAGS} from '../substructure-search/substructure-search';
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import {mmDistanceFunctionArgs} from '@datagrok-libraries/ml/src/macromolecule-distance-functions/types';
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import {UnitsHandler} from '@datagrok-libraries/bio/src/utils/units-handler';
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import {calculateMonomerSimilarity} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
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import * as grok from 'datagrok-api/grok';
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import {MmDistanceFunctionsNames} from '@datagrok-libraries/ml/src/macromolecule-distance-functions';
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@@ -53,41 +55,59 @@ export async function sequenceSpaceByFingerprints(spaceParams: ISequenceSpacePar
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return result;
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}
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export async function getSequenceSpace(spaceParams: ISequenceSpaceParams
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export async function getSequenceSpace(spaceParams: ISequenceSpaceParams,
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progressFunc?: (epochNum: number, epochsLength: number, embedding: number[][]) => void
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): Promise<ISequenceSpaceResult> {
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const ncUH = UnitsHandler.getOrCreate(spaceParams.seqCol);
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const distanceFName = ncUH.isMsa() ? MmDistanceFunctionsNames.HAMMING : MmDistanceFunctionsNames.LEVENSHTEIN;
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//const distanceFName = ncUH.isMsa() ? MmDistanceFunctionsNames.HAMMING : MmDistanceFunctionsNames.LEVENSHTEIN;
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const seqList = spaceParams.seqCol.toList();
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}
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seqList[i] += charCodeMap.get(char)!;
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const splitter = ncUH.getSplitter();
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const seqColLength = seqList.length;
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let charCodeCounter = 36;
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const charCodeMap = new Map<string, string>();
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for (let i = 0; i < seqColLength; i++) {
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const seq = seqList[i];
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if (seqList[i] === null || spaceParams.seqCol.isNone(i)) {
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seqList[i] = null;
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continue;
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}
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seqList[i] = '';
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const splittedSeq = splitter(seq);
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for (let j = 0; j < splittedSeq.length; j++) {
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const char = splittedSeq[j];
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if (!charCodeMap.has(char)) {
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charCodeMap.set(char, String.fromCharCode(charCodeCounter));
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charCodeCounter++;
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}
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seqList[i] += charCodeMap.get(char)!;
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}
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}
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if (spaceParams.similarityMetric === MmDistanceFunctionsNames.MONOMER_CHEMICAL_DISTANCE) {
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const monomers = Array.from(charCodeMap.keys());
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const monomerRes = await calculateMonomerSimilarity(monomers);
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// the susbstitution matrix contains similarity, but we need distances
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monomerRes.scoringMatrix.forEach((row, i) => {
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row.forEach((val, j) => {
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monomerRes.scoringMatrix[i][j] = 1 - val;
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});
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});
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const monomerHashToMatrixMap: {[_: string]: number} = {};
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Object.entries(monomerRes.alphabetIndexes).forEach(([key, value]) => {
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monomerHashToMatrixMap[charCodeMap.get(key)!] = value;
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});
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spaceParams.options.distanceFnArgs = {scoringMatrix: monomerRes.scoringMatrix,
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alphabetIndexes: monomerHashToMatrixMap} satisfies mmDistanceFunctionArgs;
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}
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const sequenceSpaceResult = await reduceDimensinalityWithNormalization(
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seqList,
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spaceParams.methodName,
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spaceParams.similarityMetric,
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spaceParams.options,
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true);
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true, progressFunc);
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const cols: DG.Column[] = spaceParams.embedAxesNames.map(
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(name: string, index: number) => DG.Column.fromFloat32Array(name, sequenceSpaceResult.embedding[index]));
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return {distance: sequenceSpaceResult.distance, coordinates: new DG.ColumnList(cols)};
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package/src/package.ts
CHANGED
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@@ -69,9 +69,13 @@ import {_getEnumeratorWidget, _setPeptideColumn} from './utils/enumerator-tools'
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import {getRegionDo} from './utils/get-region';
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import {GetRegionApp} from './apps/get-region-app';
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import {GetRegionFuncEditor} from './utils/get-region-func-editor';
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import {DIMENSIONALITY_REDUCER_TERMINATE_EVENT}
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from '@datagrok-libraries/ml/src/workers/dimensionality-reducing-worker-creator';
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import {Options} from '@datagrok-libraries/utils/src/type-declarations';
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export const _package = new BioPackage();
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export const BYPASS_LARGE_DATA_WARNING = 'bypassLargeDataWarning';
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// /** Avoid reassigning {@link monomerLib} because consumers subscribe to {@link IMonomerLib.onChanged} event */
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// let monomerLib: MonomerLib | null = null;
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ui.dialog({title: 'Sequence Space'})
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.add(funcEditor.paramsUI)
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.onOK(async () => {
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return call.func.prepare(funcEditor.funcParams).call(
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return call.func.prepare(funcEditor.funcParams).call();
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})
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.show();
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}
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//output: viewer result
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//editor: Bio:SeqActivityCliffsEditor
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export async function activityCliffs(df: DG.DataFrame, macroMolecule: DG.Column, activities: DG.Column,
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similarity: number, methodName: DimReductionMethods, options?: IUMAPOptions | ITSNEOptions,
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similarity: number, methodName: DimReductionMethods, options?: (IUMAPOptions | ITSNEOptions) & Options,
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): Promise<DG.Viewer | undefined> {
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if (!checkInputColumnUI(macroMolecule, 'Activity Cliffs'))
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return;
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}
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if (df.rowCount > fastRowCount) {
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if (df.rowCount > fastRowCount && !options?.[BYPASS_LARGE_DATA_WARNING]) {
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ui.dialog().add(ui.divText(`Activity cliffs analysis might take several minutes.
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Do you want to continue?`))
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.onOK(async () => {
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//input: dataframe table
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//input: column molecules { semType: Macromolecule }
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//input: string methodName { choices:["UMAP", "t-SNE"] }
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//input: string similarityMetric { choices:["
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//input: string similarityMetric { choices:["Hamming", "Levenshtein", "Monomer chemical distance"] }
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//input: bool plotEmbeddings = true
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//input: double sparseMatrixThreshold = 0.8 [Similarity Threshold for sparse matrix calculation]
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//input: object options {optional: true}
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//editor: Bio:SequenceSpaceEditor
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export async function sequenceSpaceTopMenu(
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table: DG.DataFrame, macroMolecule: DG.Column, methodName: DimReductionMethods,
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similarityMetric: BitArrayMetrics | MmDistanceFunctionsNames =
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plotEmbeddings: boolean, sparseMatrixThreshold?: number, options?: IUMAPOptions | ITSNEOptions,
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similarityMetric: BitArrayMetrics | MmDistanceFunctionsNames = MmDistanceFunctionsNames.LEVENSHTEIN,
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plotEmbeddings: boolean, sparseMatrixThreshold?: number, options?: (IUMAPOptions | ITSNEOptions) & Options,
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): Promise<DG.Viewer | undefined> {
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// Delay is required for initial function dialog to close before starting invalidating of molfiles.
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// Otherwise, dialog is freezing
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await delay(10);
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if (!checkInputColumnUI(macroMolecule, 'Sequence space')) return;
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let scatterPlot: DG.ScatterPlotViewer | undefined = undefined;
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const pg = DG.TaskBarProgressIndicator.create('Initializing sequence space ...');
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// function for progress of umap
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try {
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function progressFunc(_nEpoch: number, epochsLength: number, embeddings: number[][]) {
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let embedXCol: DG.Column | null = null;
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let embedYCol: DG.Column | null = null;
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if (!table.columns.names().includes(embedColsNames[0])) {
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embedXCol = table.columns.add(DG.Column.float(embedColsNames[0], table.rowCount));
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embedYCol = table.columns.add(DG.Column.float(embedColsNames[1], table.rowCount));
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if (plotEmbeddings) {
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scatterPlot = grok.shell
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.tableView(table.name)
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.scatterPlot({x: embedColsNames[0], y: embedColsNames[1], title: 'Sequence space'});
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}
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} else {
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embedXCol = table.columns.byName(embedColsNames[0]);
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embedYCol = table.columns.byName(embedColsNames[1]);
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}
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embedXCol.init((i) => embeddings[i][0]);
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embedYCol.init((i) => embeddings[i][1]);
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const progress = (_nEpoch / epochsLength * 100);
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pg.update(progress, `Running sequence space ... ${progress.toFixed(0)}%`);
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}
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const embedColsNames = getEmbeddingColsNames(table);
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const withoutEmptyValues = DG.DataFrame.fromColumns([macroMolecule]).clone();
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const emptyValsIdxs = removeEmptyStringRows(withoutEmptyValues, macroMolecule);
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const chemSpaceParams: ISequenceSpaceParams = {
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seqCol: withoutEmptyValues.col(macroMolecule.name)!,
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methodName: methodName,
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similarityMetric: similarityMetric,
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embedAxesNames: embedColsNames,
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options: {...options, sparseMatrixThreshold: sparseMatrixThreshold ?? 0.8,
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usingSparseMatrix: table.rowCount > 20000},
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};
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const allowedRowCount = methodName === DimReductionMethods.UMAP ? 100000 : 15000;
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// number of rows which will be processed relatively fast
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const fastRowCount = methodName === DimReductionMethods.UMAP ? 5000 : 2000;
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if (table.rowCount > allowedRowCount) {
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grok.shell.warning(`Too many rows, maximum for sequence space is ${allowedRowCount}`);
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return;
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}
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async function getSeqSpace() {
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let resolveF: Function | null = null;
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const sub = grok.events.onViewerClosed.subscribe((args) => {
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const v = args.args.viewer as unknown as DG.Viewer<any>;
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if (v?.getOptions()?.look?.title && scatterPlot?.getOptions()?.look?.title &&
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v?.getOptions()?.look?.title === scatterPlot?.getOptions()?.look?.title) {
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grok.events.fireCustomEvent(DIMENSIONALITY_REDUCER_TERMINATE_EVENT, {});
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sub.unsubscribe();
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resolveF?.();
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pg.close();
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}
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});
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const sequenceSpaceResPromise = new Promise<ISequenceSpaceResult | undefined>(async (resolve) => {
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resolveF = resolve;
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const res = await getSequenceSpace(chemSpaceParams,
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options?.[BYPASS_LARGE_DATA_WARNING] ? undefined : progressFunc);
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541
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+
resolve(res);
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542
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+
});
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543
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+
const sequenceSpaceRes = await sequenceSpaceResPromise;
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544
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+
pg.close();
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545
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+
sub.unsubscribe();
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546
|
+
return sequenceSpaceRes ? processResult(sequenceSpaceRes) : sequenceSpaceRes;
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+
}
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495
548
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496
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-
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-
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+
if (table.rowCount > fastRowCount && !options?.[BYPASS_LARGE_DATA_WARNING]) {
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550
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+
ui.dialog().add(ui.divText(`Sequence space analysis might take several minutes.
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498
551
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Do you want to continue?`))
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499
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-
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500
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-
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501
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-
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502
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-
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-
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-
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-
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-
} else {
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-
const sequenceSpaceRes = await getSequenceSpace(chemSpaceParams);
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508
|
-
return processResult(sequenceSpaceRes);
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509
|
-
}
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510
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-
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-
function processResult(sequenceSpaceRes: ISequenceSpaceResult): DG.ScatterPlotViewer | undefined {
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-
const embeddings = sequenceSpaceRes.coordinates;
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|
-
for (const col of embeddings) {
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-
const listValues = col.toList();
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-
emptyValsIdxs.forEach((ind: number) => listValues.splice(ind, 0, null));
|
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516
|
-
table.columns.add(DG.Column.float(col.name, table.rowCount).init((i) => listValues[i]));
|
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552
|
+
.onOK(async () => {
|
|
553
|
+
await getSeqSpace();
|
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554
|
+
})
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555
|
+
.onCancel(() => { pg.close(); })
|
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|
+
.show();
|
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|
+
} else {
|
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|
+
return await getSeqSpace();
|
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559
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}
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518
|
-
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519
|
-
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520
|
-
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521
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-
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560
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+
|
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561
|
+
function processResult(sequenceSpaceRes: ISequenceSpaceResult): DG.ScatterPlotViewer | undefined {
|
|
562
|
+
const embeddings = sequenceSpaceRes.coordinates;
|
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563
|
+
for (const col of embeddings) {
|
|
564
|
+
const listValues = col.toList();
|
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565
|
+
emptyValsIdxs.forEach((ind: number) => listValues.splice(ind, 0, null));
|
|
566
|
+
let embedCol = table.columns.byName(col.name);
|
|
567
|
+
if (!embedCol) {
|
|
568
|
+
embedCol = DG.Column.float(col.name, listValues.length);
|
|
569
|
+
table.columns.add(embedCol);
|
|
570
|
+
}
|
|
571
|
+
embedCol.init((i) => listValues[i]);
|
|
572
|
+
//table.columns.add(DG.Column.float(col.name, table.rowCount).init((i) => listValues[i]));
|
|
573
|
+
}
|
|
574
|
+
if (plotEmbeddings) {
|
|
575
|
+
if (!scatterPlot) {
|
|
576
|
+
scatterPlot = grok.shell
|
|
577
|
+
.tableView(table.name)
|
|
578
|
+
.scatterPlot({x: embedColsNames[0], y: embedColsNames[1], title: 'Sequence space'});
|
|
579
|
+
}
|
|
580
|
+
return scatterPlot;
|
|
581
|
+
}
|
|
522
582
|
}
|
|
583
|
+
} catch (e) {
|
|
584
|
+
console.error(e);
|
|
585
|
+
pg.close();
|
|
523
586
|
}
|
|
524
587
|
|
|
525
588
|
|
|
@@ -38,7 +38,7 @@ category('activityCliffs', async () => {
|
|
|
38
38
|
const cliffsNum = DG.Test.isInBenchmark ? 6 : 3;
|
|
39
39
|
|
|
40
40
|
await _testActivityCliffsOpen(actCliffsDf, cliffsNum, DimReductionMethods.UMAP, 'sequence');
|
|
41
|
-
}
|
|
41
|
+
});
|
|
42
42
|
|
|
43
43
|
test('activityCliffsWithEmptyRows', async () => {
|
|
44
44
|
actCliffsDfWithEmptyRows = await readDataframe('tests/100_3_clustests_empty_vals.csv');
|
|
@@ -47,5 +47,5 @@ category('activityCliffs', async () => {
|
|
|
47
47
|
viewList.push(actCliffsTableViewWithEmptyRows);
|
|
48
48
|
|
|
49
49
|
await _testActivityCliffsOpen(actCliffsDfWithEmptyRows, 3, DimReductionMethods.UMAP, 'sequence');
|
|
50
|
-
}
|
|
50
|
+
});
|
|
51
51
|
});
|
|
@@ -2,7 +2,7 @@ import * as DG from 'datagrok-api/dg';
|
|
|
2
2
|
import * as grok from 'datagrok-api/grok';
|
|
3
3
|
|
|
4
4
|
import {expect} from '@datagrok-libraries/utils/src/test';
|
|
5
|
-
import {activityCliffs} from '../package';
|
|
5
|
+
import {activityCliffs, BYPASS_LARGE_DATA_WARNING} from '../package';
|
|
6
6
|
import {DimReductionMethods} from '@datagrok-libraries/ml/src/reduce-dimensionality';
|
|
7
7
|
|
|
8
8
|
export async function _testActivityCliffsOpen(df: DG.DataFrame, numberCliffs: number, method: DimReductionMethods,
|
|
@@ -10,7 +10,7 @@ export async function _testActivityCliffsOpen(df: DG.DataFrame, numberCliffs: nu
|
|
|
10
10
|
await grok.data.detectSemanticTypes(df);
|
|
11
11
|
const scatterPlot = await activityCliffs(
|
|
12
12
|
df, df.getCol(colName), df.getCol('activity'),
|
|
13
|
-
90, method);
|
|
13
|
+
90, method, {[`${BYPASS_LARGE_DATA_WARNING}`]: true});
|
|
14
14
|
// const scatterPlot = (await grok.functions.call('Bio:activityCliffs', {
|
|
15
15
|
// table: df, molecules: df.getCol(colName), activities: df.getCol('Activity'),
|
|
16
16
|
// similarity: 50, methodName: method
|
|
@@ -62,9 +62,9 @@ A/C/G/T/C
|
|
|
62
62
|
C/A/G/T/G/T
|
|
63
63
|
T/T/C/A/A/C`,
|
|
64
64
|
helmDna: `seq
|
|
65
|
-
|
|
66
|
-
|
|
67
|
-
|
|
65
|
+
RNA1{d(A)p.d(C)p.d(G)p.d(T)p.d(C)p}$$$$
|
|
66
|
+
RNA1{d(C)p.d(A)p.d(G)p.d(T)p.d(G)p.d(T)p}$$$$
|
|
67
|
+
RNA1{d(T)p.d(T)p.d(C)p.d(A)p.d(A)p.d(C)p}$$$$`,
|
|
68
68
|
fastaRna: `seq
|
|
69
69
|
ACGUC
|
|
70
70
|
CAGUGU
|
|
@@ -74,9 +74,9 @@ A*C*G*U*C
|
|
|
74
74
|
C*A*G*U*G*U
|
|
75
75
|
U*U*C*A*A*C`,
|
|
76
76
|
helmRna: `seq
|
|
77
|
-
RNA1{
|
|
78
|
-
RNA1{
|
|
79
|
-
RNA1{
|
|
77
|
+
RNA1{r(A)p.r(C)p.r(G)p.r(U)p.r(C)p}$$$$
|
|
78
|
+
RNA1{r(C)p.r(A)p.r(G)p.r(U)p.r(G)p.r(U)p}$$$$
|
|
79
|
+
RNA1{r(U)p.r(U)p.r(C)p.r(A)p.r(A)p.r(C)p}$$$$`,
|
|
80
80
|
fastaGaps: `seq
|
|
81
81
|
FW-PH-EYY
|
|
82
82
|
FYNRQWYV-
|
|
@@ -103,17 +103,17 @@ PEPTIDE1{meI.hHis.Aca.N.T.dE.Thr_PO3H2.Aca.D}$$$$
|
|
|
103
103
|
PEPTIDE1{meI.hHis.Aca.Cys_SEt.T.dK.Thr_PO3H2.Aca.Tyr_PO3H2}$$$$
|
|
104
104
|
PEPTIDE1{Lys_Boc.hHis.Aca.Cys_SEt.T.dK.Thr_PO3H2.Aca.Tyr_PO3H2}$$$$`,
|
|
105
105
|
helmLoneDeoxyribose: `seq
|
|
106
|
-
|
|
107
|
-
|
|
108
|
-
|
|
106
|
+
RNA1{d(A).d(C).d(G).d(T).d(C)}$$$$
|
|
107
|
+
RNA1{d(C).d(A).d(G).d(T).d(G).d(T)p}$$$$
|
|
108
|
+
RNA1{d(T).d(T).d(C).d(A).d(A).d(C)p}$$$$`,
|
|
109
109
|
helmLoneRibose: `seq
|
|
110
|
-
RNA1{
|
|
111
|
-
RNA1{
|
|
112
|
-
RNA1{
|
|
110
|
+
RNA1{r(A).r(C).r(G).r(U).r(C)}$$$$
|
|
111
|
+
RNA1{r(C).r(A).r(G).r(U).r(G).r(U)p}$$$$
|
|
112
|
+
RNA1{r(U).r(U).r(C).r(A).r(A).r(C)p}$$$$`,
|
|
113
113
|
helmLonePhosphorus: `seq
|
|
114
|
-
RNA1{
|
|
115
|
-
RNA1{
|
|
116
|
-
RNA1{
|
|
114
|
+
RNA1{p.p.r(A)p.r(C)p.r(G)p.r(U)p.r(C)p}$$$$
|
|
115
|
+
RNA1{p.p.r(C)p.r(A)p.p.r(G)p.r(U)p.r(G)p.r(U)p}$$$$
|
|
116
|
+
RNA1{p.r(U)p.r(U)p.r(C)p.r(A)p.r(A)p.r(C)p.p.p}$$$$`,
|
|
117
117
|
};
|
|
118
118
|
|
|
119
119
|
/** Also detects semantic types
|
|
@@ -19,15 +19,15 @@ category('sequenceSpace', async () => {
|
|
|
19
19
|
);
|
|
20
20
|
testFastaTableView = grok.shell.addTableView(testFastaDf);
|
|
21
21
|
await _testSequenceSpaceReturnsResult(testFastaDf, DimReductionMethods.UMAP, 'sequence');
|
|
22
|
-
grok.shell.closeTable(testFastaDf);
|
|
23
|
-
testFastaTableView.close();
|
|
22
|
+
//grok.shell.closeTable(testFastaDf);
|
|
23
|
+
//testFastaTableView.close();
|
|
24
24
|
});
|
|
25
25
|
|
|
26
26
|
test('sequenceSpaceWithEmptyRows', async () => {
|
|
27
27
|
testHelmWithEmptyRows = await readDataframe('tests/100_3_clustests_empty_vals.csv');
|
|
28
28
|
testHelmWithEmptyRowsTableView = grok.shell.addTableView(testHelmWithEmptyRows);
|
|
29
29
|
await _testSequenceSpaceReturnsResult(testHelmWithEmptyRows, DimReductionMethods.UMAP, 'sequence');
|
|
30
|
-
grok.shell.closeTable(testHelmWithEmptyRows);
|
|
31
|
-
testHelmWithEmptyRowsTableView.close();
|
|
30
|
+
//grok.shell.closeTable(testHelmWithEmptyRows);
|
|
31
|
+
//testHelmWithEmptyRowsTableView.close();
|
|
32
32
|
});
|
|
33
33
|
});
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
import * as DG from 'datagrok-api/dg';
|
|
2
2
|
import * as grok from 'datagrok-api/grok';
|
|
3
3
|
import {expect} from '@datagrok-libraries/utils/src/test';
|
|
4
|
-
import {sequenceSpaceTopMenu} from '../package';
|
|
4
|
+
import {BYPASS_LARGE_DATA_WARNING, sequenceSpaceTopMenu} from '../package';
|
|
5
5
|
import {MmDistanceFunctionsNames} from '@datagrok-libraries/ml/src/macromolecule-distance-functions';
|
|
6
6
|
import {DimReductionMethods} from '@datagrok-libraries/ml/src/reduce-dimensionality';
|
|
7
7
|
|
|
@@ -14,6 +14,7 @@ export async function _testSequenceSpaceReturnsResult(
|
|
|
14
14
|
if (semType)
|
|
15
15
|
col.semType = semType;
|
|
16
16
|
|
|
17
|
-
const sp = await sequenceSpaceTopMenu(df, df.col(colName)!, algorithm, MmDistanceFunctionsNames.LEVENSHTEIN, true
|
|
17
|
+
const sp = await sequenceSpaceTopMenu(df, df.col(colName)!, algorithm, MmDistanceFunctionsNames.LEVENSHTEIN, true,
|
|
18
|
+
0.6, {[`${BYPASS_LARGE_DATA_WARNING}`]: true});
|
|
18
19
|
expect(sp != null, true);
|
|
19
20
|
}
|
|
@@ -138,6 +138,8 @@ export class MacromoleculeSequenceCellRenderer extends DG.GridCellRenderer {
|
|
|
138
138
|
// Now the renderer requires data frame table Column underlying GridColumn
|
|
139
139
|
const grid = gridCell.grid;
|
|
140
140
|
const tableCol: DG.Column = gridCell.cell.column;
|
|
141
|
+
if (!grid || !tableCol) return;
|
|
142
|
+
|
|
141
143
|
const tableColTemp: TempType = tableCol.temp;
|
|
142
144
|
|
|
143
145
|
// Cell renderer settings
|
|
@@ -303,6 +303,7 @@ export class VdRegionsViewer extends DG.JsViewer implements IVdRegionsViewer {
|
|
|
303
303
|
skipEmptyPositions: this.skipEmptyPositions,
|
|
304
304
|
positionWidth: this.positionWidth,
|
|
305
305
|
positionHeight: this.positionHeight,
|
|
306
|
+
filterSource: this.filterSource,
|
|
306
307
|
}) as WebLogoViewer;
|
|
307
308
|
wl.onSizeChanged.subscribe(() => { this.calcSize(); });
|
|
308
309
|
return [orderI, chain, wl];
|
|
@@ -363,7 +364,7 @@ export class VdRegionsViewer extends DG.JsViewer implements IVdRegionsViewer {
|
|
|
363
364
|
// this.mainLayout.style.height = '100%';
|
|
364
365
|
// this.mainLayout.style.border = '1px solid black';
|
|
365
366
|
|
|
366
|
-
this.filterSourceInput = ui.choiceInput<FilterSources>('Data source',
|
|
367
|
+
this.filterSourceInput = ui.choiceInput<FilterSources>('Data source', this.filterSource,
|
|
367
368
|
Object.values(FilterSources), this.filterSourceInputOnValueChanged.bind(this));
|
|
368
369
|
this.filterSourceInput.root.style.position = 'absolute';
|
|
369
370
|
this.filterSourceInput.root.style.right = '9px';
|