@datagrok/peptides 1.17.7 → 1.17.9

package/package.json

@@ -1,7 +1,7 @@
 {
   "name": "@datagrok/peptides",
   "friendlyName": "Peptides",
-  "version": "1.17.7",
+  "version": "1.17.9",
   "author": {
     "name": "Davit Rizhinashvili",
     "email": "drizhinashvili@datagrok.ai"

package/src/model.ts

@@ -825,7 +825,8 @@ export class PeptidesModel {
         }
         const lstViewer = this.findViewer(VIEWER_TYPE.LOGO_SUMMARY_TABLE) as LogoSummaryTable | null;
         if (lstViewer !== null && typeof lstViewer.model !== 'undefined') {
-          lstViewer.createLogoSummaryTableGrid();
+          lstViewer._logoSummaryTable = lstViewer.createLogoSummaryTable() ?? lstViewer._logoSummaryTable;
+          lstViewer._viewerGrid = lstViewer.createLogoSummaryTableGrid() ?? lstViewer._viewerGrid;
           lstViewer.render();
         }
       } catch (e) {
@@ -1178,7 +1179,7 @@ export class PeptidesModel {
     const epsilon = this.settings!.sequenceSpaceParams!.epsilon ?? 0.01;
     const minPts = this.settings!.sequenceSpaceParams!.minPts ?? 4;
     const clusterRes = await getDbscanWorker(embed1, embed2, epsilon, minPts);
-    const newClusterName = this.df.columns.getUnusedName('Cluster');
+    const newClusterName = this.df.columns.getUnusedName('Cluster (DBSCAN)');
     const clusterCol = this.df.columns.addNewString(newClusterName);
     clusterCol.init((i) => clusterRes[i].toString());
     if (this._sequenceSpaceViewer !== null)

package/src/viewers/logo-summary.ts

@@ -375,6 +375,8 @@ export class LogoSummaryTable extends DG.JsViewer implements ILogoSummaryTable {
       this._logoSummaryTable = null;
       doRender = true;
       break;
+    case LST_PROPERTIES.WEB_LOGO_MODE:
+      this.viewerGrid.invalidate();
     }
     if (doRender)
       this.render();
@@ -495,10 +497,12 @@ export class LogoSummaryTable extends DG.JsViewer implements ILogoSummaryTable {
     const origLST = origLSTBuilder.aggregate();
     const origLSTLen = origLST.rowCount;
     const origLSTCols = origLST.columns;
-    const origLSTClustCol: DG.Column<string> = origLST.getCol(clustersColName);
+    let origLSTClustCol: DG.Column<string> = origLST.getCol(clustersColName);
     origLSTClustCol.name = C.LST_COLUMN_NAMES.CLUSTER;
-    if (origLSTClustCol.type !== DG.COLUMN_TYPE.STRING)
+    if (origLSTClustCol.type !== DG.COLUMN_TYPE.STRING) {
       origLST.columns.replace(origLSTClustCol, origLSTClustCol.convertTo(DG.COLUMN_TYPE.STRING));
+      origLSTClustCol = origLST.getCol(origLSTClustCol.name);
+    }
 
 
     const origLSTClustColCat = origLSTClustCol.categories;
@@ -515,15 +519,14 @@ export class LogoSummaryTable extends DG.JsViewer implements ILogoSummaryTable {
     for (let rowIdx = 0; rowIdx < filteredDfRowCount; ++rowIdx) {
       const filteredClustName = filteredDfClustColCat[filteredDfClustColData[rowIdx]];
       const origClustIdx = origLSTClustColCat.indexOf(filteredClustName);
-      origClustMasks[origClustIdx].setTrue(rowIdx);
+      origClustMasks[origClustIdx]?.setTrue(rowIdx);
     }
 
     for (let rowIdx = 0; rowIdx < origLSTLen; ++rowIdx) {
       const mask = origClustMasks[rowIdx];
-      if (mask.allFalse || mask.allTrue)
+      if (mask.allFalse)
         continue;
 
-
       const bsMask = DG.BitSet.fromBytes(mask.buffer.buffer, filteredDfRowCount);
       const stats = isDfFiltered ? getStats(activityColData, mask) :
         this.clusterStats[CLUSTER_TYPE.ORIGINAL][origLSTClustColCat[rowIdx]];

package/src/widgets/peptides.ts

@@ -94,7 +94,7 @@ export function analyzePeptidesUI(df: DG.DataFrame, col?: DG.Column<string>): Di
       grok.shell.info('Activity column contains missing values. They will be ignored during analysis');
   };
   const activityColumnChoice = ui.columnInput('Activity', df, defaultActivityColumn, activityScalingMethodState,
-    {filter: (col: DG.Column) => col.type === DG.TYPE.INT || col.type === DG.TYPE.FLOAT});
+    {filter: (col: DG.Column) => col.type === DG.TYPE.INT || col.type === DG.TYPE.FLOAT || col.type === DG.TYPE.QNUM});
   activityColumnChoice.setTooltip('Numerical activity column');
   const clustersColumnChoice = ui.columnInput('Clusters', df, null, () => {
     if (clustersColumnChoice.value) {
@@ -185,7 +185,9 @@ export async function startAnalysis(activityColumn: DG.Column<number>, peptidesC
   clustersColumn: DG.Column | null, sourceDf: DG.DataFrame, scaledCol: DG.Column<number>, scaling: C.SCALING_METHODS,
   options: AnalysisOptions = {}): Promise<PeptidesModel | null> {
   let model: PeptidesModel | null = null;
-  if (activityColumn.type !== DG.COLUMN_TYPE.FLOAT && activityColumn.type !== DG.COLUMN_TYPE.INT && activityColumn.type !== DG.COLUMN_TYPE.QNUM) {
+  if (activityColumn.type !== DG.COLUMN_TYPE.FLOAT && activityColumn.type !== DG.COLUMN_TYPE.INT &&
+    activityColumn.type !== DG.COLUMN_TYPE.QNUM
+  ) {
     grok.shell.error('The activity column must be of numeric type!');
     return model;
   }