@datagrok/sequence-translator 1.3.3 → 1.3.5

package/package.json

@@ -1,7 +1,7 @@
 {
   "name": "@datagrok/sequence-translator",
   "friendlyName": "Sequence Translator",
-  "version": "1.3.3",
+  "version": "1.3.5",
   "author": {
     "name": "Alexey Choposky",
     "email": "achopovsky@datagrok.ai"

package/src/polytool/pt-conversion.ts

@@ -268,8 +268,12 @@ export class Chain {
 function getHelms(sequences: string[], rules: Rules): string[] {
   const helms = new Array<string>(sequences.length);
   for (let i = 0; i < sequences.length; i++) {
-    const chain = Chain.fromNotation(sequences[i], rules);
-    helms[i] = chain.getHelm();
+    if (sequences[i] === undefined)
+      helms[i] = '';
+    else {
+      const chain = Chain.fromNotation(sequences[i], rules);
+      helms[i] = chain.getHelm();
+    }
   }
 
   return helms;
@@ -288,20 +292,20 @@ export async function addTransformedColumn(
   addCommonTags(targetHelmCol);
   targetHelmCol.setTag('units', NOTATION.HELM);
 
+  if (addHelm) {
+    targetHelmCol.setTag('cell.renderer', 'helm');
+    df.columns.add(targetHelmCol);
+  }
+
   const molCol = await grok.functions.call('Bio:getMolFromHelm', {
     'df': df,
     'helmCol': targetHelmCol,
     'chiralityEngine': chiralityEngine
   });
 
-
   molCol.name = df.columns.getUnusedName('molfile(' + sequencesCol.name + ')');
   molCol.semType = DG.SEMTYPE.MOLECULE;
 
-  if (addHelm) {
-    targetHelmCol.setTag('cell.renderer', 'helm');
-    df.columns.add(targetHelmCol);
-  }
   df.columns.add(molCol, true);
   await grok.data.detectSemanticTypes(df);
 }

package/src/polytool/pt-dialog.ts

@@ -8,6 +8,7 @@ import {addTransformedColumn} from './pt-conversion';
 
 import {handleError} from './utils';
 import {getLibrariesList, HelmInput, getEnumeration} from './pt-enumeration';
+import {NOTATION} from '@datagrok-libraries/bio/src/utils/macromolecule/consts';
 
 const PT_ERROR_DATAFRAME = 'No dataframe with macromolecule columns open';
 const PT_WARNING_COLUMN = 'No marcomolecule column chosen!';
@@ -86,6 +87,13 @@ export async function getPolyToolEnumerationDialog(): Promise<DG.Dialog> {
     screenLibrary.root
   ]);
 
+  const cccSubs = grok.events.onCurrentCellChanged.subscribe(() => {
+    const cell = grok.shell.tv.dataFrame.currentCell;
+
+    if (cell.column.semType === DG.SEMTYPE.MACROMOLECULE && cell.column.tags[DG.TAGS.UNITS] === NOTATION.HELM)
+      helmInput.setHelmString(cell.value);
+  });
+
   const dialog = ui.dialog(PT_UI_DIALOG_ENUMERATION)
     .add(div)
     .onOK(async () => {
@@ -105,10 +113,10 @@ export async function getPolyToolEnumerationDialog(): Promise<DG.Dialog> {
       } catch (err: any) {
 
       } finally {
-
+        cccSubs.unsubscribe();
       }
     }).onCancel(() => {
-
+      cccSubs.unsubscribe();
     });
 
   return dialog;

package/src/polytool/pt-enumeration.ts

@@ -1,5 +1,6 @@
 import * as ui from 'datagrok-api/ui';
 import * as grok from 'datagrok-api/grok';
+import * as DG from 'datagrok-api/dg';
 
 import {IHelmHelper, getHelmHelper} from '@datagrok-libraries/bio/src/helm/helm-helper';
 import {IHelmWebEditor} from '@datagrok-libraries/bio/src/helm/types';
@@ -9,6 +10,7 @@ import * as org from 'org';
 import $ from 'cash-dom';
 import {Unsubscribable, fromEvent} from 'rxjs';
 import {IMonomerLibFileManager, IMonomerLibHelper} from '@datagrok-libraries/bio/src/monomer-works/monomer-utils';
+import {NOTATION} from '@datagrok-libraries/bio/src/utils/macromolecule/consts';
 
 import {Chain} from './pt-conversion';
 
@@ -99,7 +101,13 @@ export class HelmInput {
     editor.host.style.width = '200px';
     editor.host.style.height = '100px';
     editor.host.style.paddingLeft = '40px';
-    editor.editor.setHelm(PT_HELM_EXAMPLE);
+
+    const cell = grok.shell.tv.dataFrame.currentCell;
+
+    if (cell.column.semType === DG.SEMTYPE.MACROMOLECULE && cell.column.tags[DG.TAGS.UNITS] === NOTATION.HELM)
+      editor.editor.setHelm(cell.value);
+    else
+      editor.editor.setHelm(PT_HELM_EXAMPLE);
 
     return new HelmInput(helmHelper, editor);
   }
@@ -112,6 +120,12 @@ export class HelmInput {
     return this.helmSelection;
   }
 
+  setHelmString(helm: string): void {
+    this.helmString = helm;
+    this.editor.editor.setHelm(helm);
+    this.helmSelection = [];
+  }
+
   getDiv(): HTMLDivElement {
     const title = ui.divText('Macromolecule', {style: {paddingTop: '43px', color: 'var(--grey-4)'}});