nmr-processing 16.0.0 → 17.0.0

package/nmr-processing.d.ts

@@ -294,19 +294,7 @@ export declare const carbonImpurities: DatabaseNMREntry[];
  */
 export declare function checkIntegralKind(integral: Integral): boolean;
 
-/**
- * check if the input string corresponds to a multiplet (pattern), it could has a common name, acs or one letter abbreviation.
- * @param string - pattern name or abbreviation.
- * @param rejected - list of patterns that should not match with the input pattern. e.g 'massive' as input will return false if rejected = ['m'].
- */
-export declare function checkMultiplet(string: string, rejected?: string[]): boolean | undefined;
-
-/**
- * check the input string corresponds to a composed pattern like dt or dd. it splits into indivitual patterns and use checkMultiplet function.
- * @param multiplicity - pattern name or abbreviation.
- * @param rejected - list of patterns that should not match with any pattern. e.g 'dt' as input will return false if rejected = ['t'].
- */
-export declare function checkMultiplicity(multiplicity: string, rejected?: string[]): boolean;
+export declare function checkMultiplicity(multiplicity: string, rejected?: OneLetterMultiplet[]): boolean;
 
 declare function checkRangeKind(range: Range_2): boolean;
 
@@ -325,7 +313,7 @@ declare interface CompilePatternOptions {
 
 export declare const couplingACSPatterns: string[];
 
-export declare const couplingPatterns: string[];
+export declare const couplingPatterns: OneLetterMultiplet[];
 
 export declare function createApodizationWindowData(options: {
     windowOptions: {
@@ -644,7 +632,21 @@ export { Filters2DManager }
  * Look for a multiplet based on the pattern name or abbreviation.
  * @param name - pattern name or abbreviation.
  */
-export declare function findMultiplet(name: string): MultipletDefinition | undefined;
+export declare function findMultiplet(name: string): MatchingMultiplicity | undefined;
+
+/**
+ * Finds a peak that can serve as a pivot point within specified boundaries.
+ * The pivot is selected based on its y-value being above a threshold and its position
+ * being closest to either boundary (minX or maxX).
+ *
+ * @param peaks - Array of points containing x and y coordinates
+ * @param options - Configuration object for finding the pivot
+ *
+ * @returns The peak that serves as pivot point
+ *
+ * @throws {Error} If peaks array is empty
+ */
+export declare function findPivot(peaks: PointXY[], options: XYObjectSidePointOptions): PointXY;
 
 declare type FordwardLPDimension1 = FilterFactory<Entry2D, Partial<BackwardLPOptions>> & Pick<FordwardLPDimension1Options, 'name'>;
 
@@ -1133,6 +1135,11 @@ export declare function mapZones(zones: Zone[], datum: Entry2D, options?: MapOpt
 
 export declare function markSolventPeaks<T extends NMRRange>(input: T[], solventSignals: NMRSignal1D[], options?: any): T[];
 
+export declare type MatchingMultiplicity = MultipletDefinition & {
+    match: string;
+    isBroad: boolean;
+};
+
 declare interface MatrixFilter {
     name: FilterXYType['name'];
     properties: MatrixProperties;
@@ -1195,7 +1202,7 @@ declare interface MatrixToStocsyOptions {
 
 export declare interface MultipletDefinition {
     label: string;
-    value: string;
+    value: OneLetterMultiplet;
     acs?: string;
     names: string[];
     multiplicity: number | null;
@@ -1343,6 +1350,8 @@ declare interface OneDOptions {
     lineWidth: number;
 }
 
+export declare type OneLetterMultiplet = 's' | 'd' | 't' | 'q' | 'i' | 'h' | 'p' | 'o' | 'n' | 'm';
+
 export declare function optimizeSignals(data: DataXY, signals: Signal[], options: OptimizeSignalsOptions): {
     delta: number;
     js: Jcoupling[];
@@ -2485,11 +2494,11 @@ export declare interface SpinSystem {
 }
 
 /**
- * split a composed pattern like dt or ddt into ['d','t'] and ['d','d','t']
+ * split a composed pattern like dt or ddt into an array of objects
  * @param multiplet - pattern or abbreviation.
  * @returns
  */
-export declare function splitPatterns(multiplet: string): string[];
+export declare function splitPatterns(multiplet: string): MatchingMultiplicity[];
 
 export declare interface SplitSpinSystemOptions {
     /**
@@ -2664,12 +2673,23 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
      regression: T1Regression;
  };
 
+ export declare function xyGetPivot(data: DataXY<Float64Array>, options?: {
+     thresholdFactor?: number;
+     frequency?: number;
+ }): PointXY;
+
  export declare function xyKineticFirstOrder(data: DataXY): {
      regression: ExponentialRegression;
      rateConstant: number;
      initialConcentration: number;
  };
 
+ declare interface XYObjectSidePointOptions {
+     minX: number;
+     maxX: number;
+     thresholdFactor?: number;
+ }
+
  export declare function xyPeaksOptimization<T extends PeakXYWidth>(data: DataXY, peaks: T[], options: XYPeaksOptimizationOptions): (T extends {
      id: string;
  } ? GSDPeakOptimizedID : GSDPeakOptimized)[];