fix: use a central source of possible patterns for multiplicities (#2352

)

package.json

@@ -86,7 +86,7 @@
     "multiplet-analysis": "^2.1.1",
     "nmr-correlation": "^2.3.3",
     "nmr-load-save": "^0.11.3",
-    "nmr-processing": "^9.4.0",
+    "nmr-processing": "^9.4.1",
     "nmredata": "^0.9.2",
     "numeral": "^2.0.6",
     "openchemlib": "^8.3.0",

src/component/panels/extra/utilities/MultiplicityUtilities.ts

@@ -1,3 +1,5 @@
+import { splitPatterns } from 'nmr-processing';
+
 import { Multiplets } from '../../../../data/constants/Multiplets';
 
 function getMultiplicityNumber(string) {
@@ -33,9 +35,9 @@ function checkMultiplicity(multiplicity, rejected: Array<string> = []) {
 
   return (
     isBroad ||
-    multiplicity
-      .split('')
-      .every((_multiplet) => checkMultiplet(_multiplet, rejected))
+    splitPatterns(multiplicity).every((_multiplet) =>
+      checkMultiplet(_multiplet, rejected),
+    )
   );
 }
 

src/data/constants/Multiplets.ts

@@ -1,19 +1,15 @@
+import { MultiplicityPatterns } from 'nmr-processing';
+
 export interface MultipletDefinition {
   label: string;
   value: string;
   multiplicity: number | null;
 }
 
-export const Multiplets: MultipletDefinition[] = [
-  { label: 'massive (m)', value: 'm', multiplicity: null },
-  { label: 'singlet (s)', value: 's', multiplicity: 1 },
-  { label: 'broad singlet (br s)', value: 'br s', multiplicity: 1 },
-  { label: 'doublet (d)', value: 'd', multiplicity: 2 },
-  { label: 'triplet (t)', value: 't', multiplicity: 3 },
-  { label: 'quartet (q)', value: 'q', multiplicity: 4 },
-  { label: 'quintet (i)', value: 'i', multiplicity: 5 },
-  { label: 'sextet (x)', value: 'x', multiplicity: 6 },
-  { label: 'septet (p)', value: 'p', multiplicity: 7 },
-  { label: 'octet (o)', value: 'o', multiplicity: 8 },
-  { label: 'nonet (n)', value: 'n', multiplicity: 9 },
-];
+export const Multiplets: MultipletDefinition[] = MultiplicityPatterns.map(
+  ({ label, value, multiplicity }) => ({
+    label: `${label} (${value})`,
+    value,
+    multiplicity,
+  }),
+);