#5848 - Unable to establish connection between micro structure and su…

…gar or phopshate (and partially - unresolved monomer) (#5866)
epam · Oct 25, 2024 · 6e55cbc · 6e55cbc
1 parent 6591956
commit 6e55cbc
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Showing 3 changed files with 29 additions and 5 deletions.
diff --git a/packages/ketcher-core/src/domain/entities/Phosphate.ts b/packages/ketcher-core/src/domain/entities/Phosphate.ts
@@ -12,13 +12,21 @@ export class Phosphate extends BaseMonomer {
   }
 
   public getValidSourcePoint(secondMonomer: BaseMonomer) {
+    if (!secondMonomer) {
+      return this.firstFreeAttachmentPoint;
+    }
+
     return this.getValidPoint(
       secondMonomer,
       secondMonomer.potentialSecondAttachmentPointForBond,
     );
   }
 
   public getValidTargetPoint(firstMonomer: BaseMonomer) {
+    if (!firstMonomer) {
+      return this.firstFreeAttachmentPoint;
+    }
+
     // same implementation for both source and target attachment points
     return this.getValidPoint(
       firstMonomer,

diff --git a/packages/ketcher-core/src/domain/entities/Sugar.ts b/packages/ketcher-core/src/domain/entities/Sugar.ts
@@ -9,14 +9,22 @@ import { isRnaBaseOrAmbiguousRnaBase } from 'domain/helpers/monomers';
 import { IVariantMonomer } from 'domain/entities/types';
 
 export class Sugar extends BaseMonomer {
-  public getValidSourcePoint(secondMonomer: BaseMonomer & IVariantMonomer) {
+  public getValidSourcePoint(secondMonomer?: BaseMonomer & IVariantMonomer) {
+    if (!secondMonomer) {
+      return this.firstFreeAttachmentPoint;
+    }
+
     return this.getValidPoint(
       secondMonomer,
       secondMonomer.potentialSecondAttachmentPointForBond,
     );
   }
 
   public getValidTargetPoint(firstMonomer: BaseMonomer & IVariantMonomer) {
+    if (!firstMonomer) {
+      return this.firstFreeAttachmentPoint;
+    }
+
     // same implementation for both source and target attachment points
     return this.getValidPoint(
       firstMonomer,

diff --git a/packages/ketcher-core/src/domain/entities/UnresolvedMonomer.ts b/packages/ketcher-core/src/domain/entities/UnresolvedMonomer.ts
@@ -5,12 +5,20 @@ import { SubChainNode } from 'domain/entities/monomer-chains/types';
 import { Peptide } from 'domain/entities/Peptide';
 
 export class UnresolvedMonomer extends BaseMonomer {
-  public getValidSourcePoint(monomer?: BaseMonomer) {
-    return Peptide.prototype.getValidSourcePoint.call(this, monomer);
+  public getValidSourcePoint(secondMonomer?: BaseMonomer) {
+    if (!secondMonomer) {
+      return this.firstFreeAttachmentPoint;
+    }
+
+    return Peptide.prototype.getValidSourcePoint.call(this, secondMonomer);
   }
 
-  public getValidTargetPoint(monomer: BaseMonomer) {
-    return Peptide.prototype.getValidTargetPoint.call(this, monomer);
+  public getValidTargetPoint(firstMonomer: BaseMonomer) {
+    if (!firstMonomer) {
+      return this.firstFreeAttachmentPoint;
+    }
+
+    return Peptide.prototype.getValidTargetPoint.call(this, firstMonomer);
   }
 
   public get SubChainConstructor() {