Backmerge: #4935 - Preview: Enumeration is missing for cycled unsplit…

… nucleotides after load from file (KET/MOL doesn't matter) (#5251) - added check for cyclic chain beginning
epam · Oct 17, 2024 · 474bd23 · 474bd23
1 parent 2c4e134
commit 474bd23
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Showing 3 changed files with 52 additions and 12 deletions.
diff --git a/...de-Open-monomers-cyclic-chains-and-switch-to-sequence-mode-2-chromium-linux.png b/...de-Open-monomers-cyclic-chains-and-switch-to-sequence-mode-2-chromium-linux.png
diff --git a/packages/ketcher-core/__tests__/domain/entities/drawingEntitiesManager.test.ts b/packages/ketcher-core/__tests__/domain/entities/drawingEntitiesManager.test.ts
@@ -19,6 +19,9 @@ import {
   MonomerHoverOperation,
 } from 'application/editor/operations/monomer';
 import { RenderersManager } from 'application/render/renderers/RenderersManager';
+import { createPolymerEditorCanvas } from '../../helpers/dom';
+import { CoreEditor } from 'application/editor';
+import { FlexMode } from 'application/editor/modes/FlexMode';
 
 describe('Drawing Entities Manager', () => {
   it('should create monomer', () => {
@@ -86,7 +89,12 @@ describe('Drawing Entities Manager', () => {
   });
 
   it('should delete peptide', () => {
-    const drawingEntitiesManager = new DrawingEntitiesManager();
+    const editor = new CoreEditor({
+      canvas: createPolymerEditorCanvas(),
+      theme: {},
+      mode: new FlexMode(),
+    });
+    const drawingEntitiesManager = editor.drawingEntitiesManager;
     const renderersManager = new RenderersManager({ theme: {} });
     drawingEntitiesManager.addMonomer(peptideMonomerItem, new Vec2(0, 0));
     const peptide = Array.from(drawingEntitiesManager.monomers)[0][1];
@@ -99,7 +107,12 @@ describe('Drawing Entities Manager', () => {
   });
 
   it('should delete polymer bond', () => {
-    const drawingEntitiesManager = new DrawingEntitiesManager();
+    const editor = new CoreEditor({
+      canvas: createPolymerEditorCanvas(),
+      theme: {},
+      mode: new FlexMode(),
+    });
+    const drawingEntitiesManager = editor.drawingEntitiesManager;
     const renderersManager = new RenderersManager({ theme: {} });
     const { polymerBond } = drawingEntitiesManager.startPolymerBondCreation(
       new Peptide(peptideMonomerItem),

diff --git a/packages/ketcher-core/src/application/render/renderers/RenderersManager.ts b/packages/ketcher-core/src/application/render/renderers/RenderersManager.ts
@@ -29,6 +29,7 @@ import {
   isMonomerBeginningOfChain,
 } from 'domain/helpers/monomers';
 import { CoreEditor } from 'application/editor';
+import { ChainsCollection } from 'domain/entities/monomer-chains/ChainsCollection';
 
 export class RenderersManager {
   private theme;
@@ -164,7 +165,10 @@ export class RenderersManager {
 
       const nextMonomer = getNextMonomerInChain(monomerRenderer.monomer);
 
-      if (!(nextMonomer instanceof Peptide)) {
+      if (
+        !(nextMonomer instanceof Peptide) ||
+        nextMonomer === peptideRenderer.monomer
+      ) {
         return;
       }
 
@@ -216,9 +220,10 @@ export class RenderersManager {
       const nextMonomer = getNextMonomerInChain(monomerRenderer.monomer);
 
       if (
-        !(nextMonomer instanceof Sugar) &&
-        !(nextMonomer instanceof Phosphate) &&
-        !(nextMonomer instanceof UnsplitNucleotide)
+        (!(nextMonomer instanceof Sugar) &&
+          !(nextMonomer instanceof Phosphate) &&
+          !(nextMonomer instanceof UnsplitNucleotide)) ||
+        nextMonomer === rnaComponentRenderer.monomer
       ) {
         return;
       }
@@ -241,26 +246,36 @@ export class RenderersManager {
     }
   }
 
-  private recalculatePeptideEnumeration(peptideRenderer: PeptideRenderer) {
+  private recalculatePeptideEnumeration(
+    peptideRenderer: PeptideRenderer,
+    firstMonomers: BaseMonomer[],
+  ) {
     if (!peptideRenderer.monomer.hasBonds) {
       peptideRenderer.setEnumeration(null);
       peptideRenderer.redrawEnumeration();
     }
 
-    if (!isMonomerBeginningOfChain(peptideRenderer.monomer, [Peptide])) {
+    if (
+      !isMonomerBeginningOfChain(peptideRenderer.monomer, [Peptide]) &&
+      !firstMonomers.includes(peptideRenderer.monomer)
+    ) {
       return;
     }
 
     this.recalculatePeptideChainEnumeration(peptideRenderer);
   }
 
-  private recalculateRnaEnumeration(rnaComponentRenderer: BaseMonomerRenderer) {
+  private recalculateRnaEnumeration(
+    rnaComponentRenderer: BaseMonomerRenderer,
+    firstMonomers: BaseMonomer[],
+  ) {
     if (
       !isMonomerBeginningOfChain(rnaComponentRenderer.monomer, [
         Phosphate,
         Sugar,
         UnsplitNucleotide,
-      ])
+      ]) &&
+      !firstMonomers.includes(rnaComponentRenderer.monomer)
     ) {
       return;
     }
@@ -269,17 +284,29 @@ export class RenderersManager {
   }
 
   private recalculateMonomersEnumeration() {
+    const editor = CoreEditor.provideEditorInstance();
+    const [, firstMonomersInCyclicChains] =
+      ChainsCollection.getFirstMonomersInChains([
+        ...editor.drawingEntitiesManager.monomers.values(),
+      ]);
+
     this.monomers.forEach((monomerRenderer) => {
       if (monomerRenderer instanceof PeptideRenderer) {
-        this.recalculatePeptideEnumeration(monomerRenderer as PeptideRenderer);
+        this.recalculatePeptideEnumeration(
+          monomerRenderer as PeptideRenderer,
+          firstMonomersInCyclicChains,
+        );
       }
 
       if (
         monomerRenderer instanceof UnsplitNucleotideRenderer ||
         monomerRenderer instanceof PhosphateRenderer ||
         monomerRenderer instanceof SugarRenderer
       ) {
-        this.recalculateRnaEnumeration(monomerRenderer as BaseMonomerRenderer);
+        this.recalculateRnaEnumeration(
+          monomerRenderer as BaseMonomerRenderer,
+          firstMonomersInCyclicChains,
+        );
       }
 
       if (