@datagrok/sequence-translator 1.10.9 → 1.10.11

package/package.json

@@ -1,7 +1,7 @@
 {
   "name": "@datagrok/sequence-translator",
   "friendlyName": "Sequence Translator",
-  "version": "1.10.9",
+  "version": "1.10.11",
   "author": {
     "name": "Davit Rizhinashvili",
     "email": "drizhinashvili@datagrok.ai"
@@ -22,7 +22,7 @@
     }
   ],
   "dependencies": {
-    "@datagrok-libraries/bio": "^5.62.0",
+    "@datagrok-libraries/bio": "^5.62.1",
     "@datagrok-libraries/chem-meta": "^1.2.8",
     "@datagrok-libraries/tutorials": "^1.6.1",
     "@datagrok-libraries/utils": "^4.6.5",
@@ -55,6 +55,7 @@
     "@typescript-eslint/eslint-plugin": "^7.2.0",
     "@typescript-eslint/parser": "^7.2.0",
     "css-loader": "^6.7.3",
+    "datagrok-tools": "^5.0.0",
     "eslint": "^8.57.0",
     "eslint-config-google": "^0.14.0",
     "style-loader": "^3.3.1",

package/src/polytool/pt-enumerate-seq-dialog.ts

@@ -24,7 +24,7 @@ import {SeqTemps} from '@datagrok-libraries/bio/src/utils/macromolecule/seq-hand
 import {PolyToolEnumeratorParams, PolyToolEnumeratorType, PolyToolEnumeratorTypes} from './types';
 import {doPolyToolEnumerateHelm, PT_HELM_EXAMPLE} from './pt-enumeration-helm';
 import {PolyToolPlaceholdersInput} from './pt-placeholders-input';
-import {showMonomerSelectionDialog} from './pt-monomer-selection-dialog';
+import {showMonomerSelectionDialog} from '@datagrok-libraries/bio/src/utils/monomer-selection-dialog';
 import {defaultErrorHandler} from '../utils/err-info';
 import {PolyToolPlaceholdersBreadthInput} from './pt-placeholders-breadth-input';
 import {PT_ENUM_TYPE_TOOLTIPS, PT_UI_DIALOG_ENUMERATION, PT_UI_GET_HELM, PT_UI_HIGHLIGHT_MONOMERS, PT_UI_RULES_USED, PT_UI_USE_CHIRALITY} from './const';
@@ -218,6 +218,9 @@ async function getPolyToolEnumerateDialog(
     let ruleInputs: RuleInputs;
     const trivialNameSampleDiv = ui.divText('', {style: {marginLeft: '8px', marginTop: '2px'}});
     const warningsTextDiv = ui.divText('', {style: {color: 'red'}});
+    const resultCountDiv = ui.divText('', {style: {
+      fontSize: '11px', color: 'var(--grey-4)', marginTop: '2px', marginLeft: '4px', whiteSpace: 'nowrap',
+    }});
 
     // === INPUT DEFINITIONS ===
     inputs = {
@@ -511,7 +514,9 @@ async function getPolyToolEnumerateDialog(
         defaultErrorHandler(err);
       }
     }));
-    subs.push(inputs.placeholders.onChanged.subscribe(() => { updateViewMol(); }));
+    subs.push(inputs.placeholders.onChanged.subscribe(() => { updateViewMol(); updateResultCount(); }));
+    subs.push(inputs.placeholdersBreadth.onChanged.subscribe(() => { updateResultCount(); }));
+    subs.push(inputs.keepOriginal.onChanged.subscribe(() => { updateResultCount(); }));
 
     // TODO: suspect
     subs.push(ui.onSizeChanged(inputs.placeholders.root).subscribe(() => {
@@ -587,6 +592,48 @@ async function getPolyToolEnumerateDialog(
       //resizeInputs();
     };
 
+    // Computes expected result count from current placeholders, breadth, and enumeration type
+    const updateResultCount = () => {
+      try {
+        const phs = inputs.placeholders.placeholdersValue.filter((ph) => ph.monomers.length > 0);
+        const bphs = inputs.placeholdersBreadth.placeholdersBreadthValue
+          .filter((ph) => ph.monomers.length > 0 && ph.start != null && ph.end != null);
+
+        let regularCount = 0;
+        switch (inputs.enumeratorType.value) {
+        case PolyToolEnumeratorTypes.Single:
+          regularCount = phs.reduce((sum, ph) => sum + ph.monomers.length, 0);
+          break;
+        case PolyToolEnumeratorTypes.Parallel: {
+          if (phs.length > 0) {
+            const allEqual = phs.every((ph) => ph.monomers.length === phs[0].monomers.length);
+            regularCount = allEqual ? phs[0].monomers.length : 0;
+          }
+          break;
+        }
+        case PolyToolEnumeratorTypes.Matrix:
+          regularCount = phs.length > 0 ? phs.reduce((prod, ph) => prod * ph.monomers.length, 1) : 0;
+          break;
+        }
+
+        let breadthCount = 0;
+        if (bphs.length > 0) {
+          breadthCount = bphs.reduce((prod, ph) => {
+            const rangeSize = Math.abs(ph.end - ph.start) + 1;
+            return prod * (ph.monomers.length * rangeSize);
+          }, 1);
+        }
+
+        let total = regularCount + breadthCount;
+        if (inputs.keepOriginal.value && total > 0)
+          total += 1;
+
+        resultCountDiv.textContent = total > 0 ? `${total} sequence${total !== 1 ? 's' : ''} will be generated` : '';
+      } catch (_) {
+        resultCountDiv.textContent = '';
+      }
+    };
+
     const fillTrivialNameList = (table?: DG.DataFrame) => {
       if (table) {
         inputs.trivialNameCol.setColumnInputTable(table);
@@ -607,6 +654,7 @@ async function getPolyToolEnumerateDialog(
 
     fillForCurrentCell(seqValue, dataRole, cell);
     updateViewRules();
+    updateResultCount();
 
     // === EXECUTION (OK button handler) ===
     // Pre-flight validates inputs, builds params, and runs enumeration.
@@ -677,7 +725,8 @@ async function getPolyToolEnumerateDialog(
       .add(ui.divH([
         ui.divV([
           inputs.placeholders.root,
-          inputs.enumeratorType.root],
+          ui.divH([inputs.enumeratorType.root, resultCountDiv],
+            {style: {alignItems: 'center'}})],
         {style: {width: '50%'}}
         ),
         ui.divV([
@@ -742,6 +791,7 @@ async function getPolyToolEnumerateDialog(
         setTimeout(() => {
           inputs.placeholders.invalidateGrid();
           inputs.placeholdersBreadth.invalidateGrid();
+          updateResultCount();
         }, 100);
       });
     return dialog;