nmr-processing 12.4.0 → 12.6.0

package/nmr-processing.d.ts

@@ -272,6 +272,7 @@ number
 ] | undefined>;
 
 export declare interface DatabaseNMREntry {
+    id: string;
     ocl?: OCLMolecule;
     smiles?: string;
     solvent: string;
@@ -2261,6 +2262,8 @@ export declare interface Jcoupling {
     pathLength?: number;
 }
 
+declare type JcouplingFromPrediction = MakeMandatory<Jcoupling, 'multiplicity' | 'diaIDs' | 'pathLength'>;
+
 declare interface LabelField extends BaseField {
     type: 'label';
 }
@@ -3379,6 +3382,12 @@ export declare interface Signal1D extends Required<Pick<NMRSignal1D, ObjectKeys>
     originalDelta?: number;
 }
 
+declare type Signal1DWidthDiaID = MakeMandatory<NMRSignal1D, 'diaIDs'>;
+
+declare type Signal1DWidthJsAndDiaID = Omit<Signal1DWidthDiaID, 'js'> & {
+    js: JcouplingFromPrediction[];
+};
+
 export declare interface Signal2D extends Signal_2 {
     sign?: number;
     x: SignalAxis;
@@ -3477,6 +3486,19 @@ declare interface Signals2DToZOptions {
     factor?: number | XYNumber;
 }
 
+/**
+ * Join signals if all the same diaID
+ */
+export declare function signalsJoin(signals: NMRSignal1D[], options?: SignalsJoinOptions): Signal1DWidthJsAndDiaID[];
+
+export declare interface SignalsJoinOptions {
+    /**
+     * options for signalJoinCouplings
+     * @default {}
+     */
+    joinCouplings?: SignalJoinCouplingsOptions;
+}
+
 /**
  * it use the chemical shifts and the coupling between them in order to generate a FID.
  * It does not propagate the hamiltonian of the spin system, instead it simulate all the