@datagrok/peptides 1.3.5 → 1.3.7

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "@datagrok/peptides",
-  "version": "1.3.5",
+  "version": "1.3.7",
   "author": {
     "name": "Volodymyr Dyma",
     "email": "vdyma@datagrok.ai"
@@ -12,17 +12,19 @@
     "directory": "packages/Peptides"
   },
   "dependencies": {
-    "@datagrok-libraries/bio": "^5.5.0",
+    "@datagrok-libraries/bio": "^5.6.0",
     "@datagrok-libraries/ml": "^2.0.1",
     "@datagrok-libraries/statistics": "^0.1.6",
     "@datagrok-libraries/utils": "^1.11.1",
     "cash-dom": "latest",
     "datagrok-api": "^1.6.0",
     "file-loader": "^6.2.0",
-    "rxjs": "^6.5.5"
+    "rxjs": "^6.5.5",
+    "wu": "latest"
   },
   "devDependencies": {
     "@types/jquery": "^3.5.6",
+    "@types/wu": "latest",
     "@typescript-eslint/eslint-plugin": "latest",
     "@typescript-eslint/parser": "latest",
     "css-loader": "^5.2.4",

package/src/model.ts

@@ -5,6 +5,7 @@ import * as bio from '@datagrok-libraries/bio';
 
 import {splitAlignedSequences} from '@datagrok-libraries/bio/src/utils/splitter';
 
+import wu from 'wu';
 import * as rxjs from 'rxjs';
 
 import * as C from './utils/constants';
@@ -55,7 +56,8 @@ export class PeptidesModel {
   barData: type.MonomerDfStats = {};
   barsBounds: { [position: string]: type.BarCoordinates } = {};
   cachedBarchartTooltip: { bar: string, tooltip: null | HTMLDivElement } = {bar: '', tooltip: null};
-  monomerLib: bio.IMonomerLib | null = null;
+  monomerLib: bio.IMonomerLib | null = null; // To get monomers from lib(s)
+  monomerWorks: bio.MonomerWorks | null = null; // To get processed monomers
 
   private constructor(dataFrame: DG.DataFrame) {
     this.df = dataFrame;
@@ -813,8 +815,10 @@ export class PeptidesModel {
   showMonomerTooltip(aar: string, x: number, y: number): void {
     const tooltipElements: HTMLDivElement[] = [];
     const monomerName = aar.toLowerCase();
-    const monomer: bio.Monomer = this.monomerLib!.get('HELM_AA', monomerName) ??
-      this.monomerLib!.get('HELM_CHEM', monomerName)!;
+
+    const monomer: bio.Monomer | null = wu(['HELM_AA', 'HELM_CHEM'])
+      .map((monomerType) => this.monomerWorks!.getCappedMonomer(monomerType, monomerName))
+      .find((m) => m != null) ?? null;
 
     if (monomer) {
       tooltipElements.push(ui.div(monomer.n));
@@ -1085,15 +1089,17 @@ export class PeptidesModel {
       return;
 
     // Get monomer library through bio library
-    this.monomerLib = (await bio.getMonomerLib()) as bio.IMonomerLib;
+    this.monomerLib = await bio.getMonomerLib();
     this.monomerLib.onChanged.subscribe(() => {
       this.sourceGrid.invalidate();
     });
+    this.monomerWorks = new bio.MonomerWorks(this.monomerLib);
 
-    this.currentView = this.df.tags[C.PEPTIDES_ANALYSIS] == 'true' ? grok.shell.v as DG.TableView :
+    this.currentView = wu(grok.shell.tableViews).find(({dataFrame}) => dataFrame.tags[C.PEPTIDES_ANALYSIS] === 'true') ??
       grok.shell.addTableView(this.df);
+    grok.shell.v = this.currentView;
     this.sourceGrid = this.currentView.grid;
-    if (this.df.tags[C.PEPTIDES_ANALYSIS] == 'true')
+    if (this.df.tags[C.PEPTIDES_ANALYSIS] === 'true')
       return;
 
     this.df.tags[C.PEPTIDES_ANALYSIS] = 'true';

package/src/utils/cell-renderer.ts

@@ -15,7 +15,7 @@ export function setAARRenderer(col: DG.Column, alphabet: string, grid: DG.Grid,
   col.semType = C.SEM_TYPES.MONOMER;
   col.setTag('cell.renderer', C.SEM_TYPES.MONOMER);
   col.tags[C.TAGS.ALPHABET] = alphabet;
-  setTimeout(() => grid.columns.byName(col.name)!.width = 60, timeout);
+  // setTimeout(() => grid.columns.byName(col.name)!.width = 60, timeout);
 }
 
 export function renderMutationCliffCell(canvasContext: CanvasRenderingContext2D, currentAAR: string,