#6088 disable create antisense strand option if antisensless base pre…

…sent in chain selection (#6328) * disable create antisense strand option * added disabling menu for selection sugar * added mixed type and base strand calculation
epam · Jan 22, 2025 · b393f7d · b393f7d
1 parent 13dc6d4
commit b393f7d
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Showing 3 changed files with 91 additions and 8 deletions.
diff --git a/packages/ketcher-core/src/domain/entities/AmbiguousMonomer.ts b/packages/ketcher-core/src/domain/entities/AmbiguousMonomer.ts
@@ -19,6 +19,7 @@ export const DEFAULT_VARIANT_MONOMER_LABEL = '%';
 export class AmbiguousMonomer extends BaseMonomer implements IVariantMonomer {
   public monomers: BaseMonomer[];
   public monomerClass: KetMonomerClass;
+  public subtype: KetAmbiguousMonomerTemplateSubType;
   constructor(
     public variantMonomerItem: AmbiguousMonomerType,
     position?: Vec2,
@@ -52,6 +53,7 @@ export class AmbiguousMonomer extends BaseMonomer implements IVariantMonomer {
     this.monomerClass = AmbiguousMonomer.getMonomerClass(
       variantMonomerItem.monomers,
     );
+    this.subtype = variantMonomerItem.subtype;
   }
 
   public static getMonomerClass(monomers: BaseMonomer[]) {

diff --git a/packages/ketcher-core/src/domain/entities/types.ts b/packages/ketcher-core/src/domain/entities/types.ts
@@ -1,7 +1,11 @@
 import { BaseMonomer } from 'domain/entities/BaseMonomer';
-import { KetMonomerClass } from 'application/formatters';
+import {
+  KetAmbiguousMonomerTemplateSubType,
+  KetMonomerClass,
+} from 'application/formatters';
 
 export interface IVariantMonomer {
   monomers: BaseMonomer[];
   monomerClass: KetMonomerClass;
+  subtype: KetAmbiguousMonomerTemplateSubType;
 }
diff --git a/...es/src/components/contextMenu/SelectedMonomersContextMenu/SelectedMonomersContextMenu.tsx b/...es/src/components/contextMenu/SelectedMonomersContextMenu/SelectedMonomersContextMenu.tsx
@@ -5,9 +5,12 @@ import { KETCHER_MACROMOLECULES_ROOT_NODE_SELECTOR } from 'ketcher-react';
 import { useAppSelector } from 'hooks';
 import { selectEditor } from 'state/common';
 import {
+  AmbiguousMonomer,
   BaseMonomer,
   getRnaBaseFromSugar,
   getSugarFromRnaBase,
+  isRnaBaseOrAmbiguousRnaBase,
+  KetAmbiguousMonomerTemplateSubType,
   RNABase,
   Sugar,
 } from 'ketcher-core';
@@ -17,21 +20,95 @@ type SelectedMonomersContextMenuType = {
   selectedMonomers: BaseMonomer[];
 };
 
+const getMonomersCode = (monomers: BaseMonomer[]) => {
+  return monomers
+    .map((monomer) => monomer.monomerItem.props.MonomerNaturalAnalogCode)
+    .sort()
+    .join('');
+};
+const isSenseBase = (monomer: BaseMonomer | AmbiguousMonomer) => {
+  const { monomerItem } = monomer;
+  const isNaturalAnalogue =
+    monomerItem.props.MonomerNaturalAnalogCode === 'A' ||
+    monomerItem.props.MonomerNaturalAnalogCode === 'C' ||
+    monomerItem.props.MonomerNaturalAnalogCode === 'G' ||
+    monomerItem.props.MonomerNaturalAnalogCode === 'T' ||
+    monomerItem.props.MonomerNaturalAnalogCode === 'U';
+  if (isNaturalAnalogue) {
+    return true;
+  }
+  if (!monomer.monomerItem.isAmbiguous) {
+    return false;
+  }
+
+  if (
+    (monomer as AmbiguousMonomer).subtype ===
+    KetAmbiguousMonomerTemplateSubType.MIXTURE
+  ) {
+    return false;
+  }
+
+  const N1 = 'ACGT';
+  const N2 = 'ACGU';
+  const B1 = 'CGT';
+  const B2 = 'CGU';
+  const D1 = 'AGT';
+  const D2 = 'AGU';
+  const H1 = 'ACT';
+  const H2 = 'ACU';
+  const K1 = 'GT';
+  const K2 = 'GU';
+  const W1 = 'AT';
+  const W2 = 'AU';
+  const Y1 = 'CT';
+  const Y2 = 'CU';
+  const M = 'AC';
+  const R = 'AG';
+  const S = 'CG';
+  const V = 'ACG';
+  const ambigues = [
+    N1,
+    N2,
+    B1,
+    B2,
+    D1,
+    D2,
+    H1,
+    H2,
+    K1,
+    K2,
+    W1,
+    W2,
+    Y1,
+    Y2,
+    M,
+    R,
+    S,
+    V,
+  ];
+  const code = getMonomersCode((monomer as AmbiguousMonomer).monomers);
+  return ambigues.some((v) => v === code);
+};
+
 export const SelectedMonomersContextMenu = ({
   selectedMonomers,
 }: SelectedMonomersContextMenuType) => {
   const editor = useAppSelector(selectEditor);
   const isAntisenseCreationDisabled = selectedMonomers?.some(
-    (selectedMonomer) => {
+    (selectedMonomer: BaseMonomer) => {
+      const rnaBaseForSugar =
+        selectedMonomer instanceof Sugar &&
+        getRnaBaseFromSugar(selectedMonomer);
+
       return (
         (selectedMonomer instanceof RNABase &&
-          (selectedMonomer.monomerItem.props.MonomerNaturalAnalogCode === '' ||
-            selectedMonomer.monomerItem.props.MonomerNaturalAnalogCode ===
-              'X' ||
-            selectedMonomer.hydrogenBonds.length > 0 ||
+          (selectedMonomer.hydrogenBonds.length > 0 ||
             selectedMonomer.covalentBonds.length > 1)) ||
-        (selectedMonomer instanceof Sugar &&
-          (getRnaBaseFromSugar(selectedMonomer)?.hydrogenBonds.length || 0) > 0)
+        (isRnaBaseOrAmbiguousRnaBase(selectedMonomer) &&
+          !isSenseBase(selectedMonomer)) ||
+        (rnaBaseForSugar &&
+          (rnaBaseForSugar.hydrogenBonds.length > 0 ||
+            !isSenseBase(rnaBaseForSugar)))
       );
     },
   );