nmr-processing 11.2.3 → 11.4.0

package/nmr-processing.d.ts

@@ -1,3 +1,4 @@
+import { DataXReIm } from 'ml-spectra-processing';
 import { DataXY } from 'cheminfo-types';
 import { DoubleArray } from 'cheminfo-types';
 import type { FilterXYType } from 'ml-signal-processing';
@@ -40,7 +41,12 @@ export declare interface AirplsOptions {
     tolerance: number;
 }
 
-export declare function apodization(data: DataReIm, options?: ApodizationFilterOptions): {
+export declare function apodization(data: DataReIm | DataXReIm, options?: ApodizationFilterOptions): {
+    windowData: Float64Array;
+    x: DoubleArray;
+    re: DoubleArray;
+    im: DoubleArray;
+} | {
     windowData: Float64Array;
     /** Array of re values */
     re: DoubleArray;
@@ -49,6 +55,11 @@ export declare function apodization(data: DataReIm, options?: ApodizationFilterO
 };
 
 export declare function apodizationFilter(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): {
+    windowData: Float64Array;
+    x: DoubleArray;
+    re: DoubleArray;
+    im: DoubleArray;
+} | {
     windowData: Float64Array;
     re: DoubleArray;
     im: DoubleArray;
@@ -60,12 +71,13 @@ export declare interface ApodizationFilterOptions {
      * @default 0
      */
     pointsToShift?: number;
-    compose?: ShapeOptions;
+    compose?: Partial<ShapeOptions<FlexibleWindowFunctions>>;
     /**
      * apply the window data to input data
      * @default true
      */
     apply?: boolean;
+    windowData?: Float64Array;
 }
 
 export declare interface ApodizationOptions {
@@ -143,7 +155,7 @@ declare interface BasePeak {
 }
 
 declare interface BidimensionalFFTOptions {
-    fnMode: string;
+    acquisitionScheme: string;
     info: Info2D_2;
     zeroFilling?: ZeroFillingOptions_2;
     phaseCorrection?: {
@@ -264,7 +276,8 @@ export declare const DatumKind: {
 declare function deleteFilter(datum: Entry1D | Entry2D, id?: string): void;
 
 declare interface DirectDimensionOptions {
-    fnMode?: string;
+    acquisitionScheme?: string;
+    reverse?: boolean;
     digitalFilterValue?: number;
     zeroFilling?: ZeroFillingOptions_2;
     apodization?: ApodizationFilterOptions;
@@ -308,16 +321,17 @@ declare interface ExclusionZone {
     to: number;
 }
 
-declare interface Exponential {
+declare interface Exponential<ShapeOption = ExponentialOptions> {
     kind: 'exponential';
-    options: ExponentialOptions;
+    options: ShapeOption;
 }
 
 declare interface ExponentialOptions {
     /**
      * line broadening value in Hz, a negative value will invert the shape
+     * @default 0.3
      */
-    lb: number;
+    lb?: number;
     /**
      * increment value in time or the independent value
      */
@@ -373,6 +387,8 @@ export { FiltersManager }
  */
 export declare function findMultiplet(name: string): MultipletDefinition | undefined;
 
+declare type FlexibleWindowFunctions = Exponential<Partial<ExponentialOptions>> | LorentToGauss<Partial<LorentzToGaussOptions>> | SineBell<Partial<SineBellOptions>> | Traf<Partial<TrafOptions>>;
+
 export declare interface ForwardLPOptions {
     /**
      * Number of coefficients to be calculated in the SVD.
@@ -2081,7 +2097,7 @@ export declare interface ImpuritySignal {
 }
 
 declare interface IndirectDimensionOptions {
-    fnMode?: string;
+    acquisitionScheme?: string;
     reverse?: boolean;
     zeroFilling?: ZeroFillingOptions_2;
     apodization?: ApodizationFilterOptions;
@@ -2115,6 +2131,11 @@ export declare interface Info1D extends Info {
     reverse?: boolean;
     DECIM?: number;
     DSPFVS?: number;
+    lpNumberOfCoefficients?: number;
+    tdOff?: number;
+    spectrumSize?: number;
+    numberOfPoints?: number;
+    linearPredictionBin?: number;
 }
 
 export declare interface Info2D extends Info {
@@ -2129,7 +2150,7 @@ export declare interface Info2D extends Info {
     tdOff?: number[];
     spectrumSize: number[];
     numberOfPoints: number[];
-    linearPredictionBin?: number[];
+    linearPredictionBin?: number;
 }
 
 declare type Info2D_2 = any;
@@ -2180,9 +2201,9 @@ declare interface ListField extends Field<string[]> {
 
 declare function lookupForFilter(datum: Entry1D | Entry2D, filterName: string): Filter | undefined;
 
-declare interface LorentToGauss {
+declare interface LorentToGauss<ShapeOption = LorentzToGaussOptions> {
     kind: 'lorentzToGauss';
-    options: LorentzToGaussOptions;
+    options: ShapeOption;
 }
 
 declare interface LorentzToGaussOptions {
@@ -3143,7 +3164,7 @@ declare type Shape1DWithFWHM = Omit<Shape1D, 'fwhm'> & {
     fwhm: number;
 };
 
-declare interface ShapeOptions {
+declare interface ShapeOptions<ShapeWindow = WindowFunctions> {
     /**
      * length of the window shape
      */
@@ -3151,10 +3172,10 @@ declare interface ShapeOptions {
     /**
      * parameters of the shape plus the kind of shape to identify
      */
-    shapes?: ShapeToAdd[];
+    shapes?: Array<ShapeToAdd<ShapeWindow>>;
 }
 
-declare interface ShapeToAdd {
+declare interface ShapeToAdd<ShapeWindows = WindowFunctions> {
     /**
      * Start Location for Applying Apodize Window
      */
@@ -3162,7 +3183,7 @@ declare interface ShapeToAdd {
     /**
      * parameters of the shape plus the kind of shape to identify
      */
-    shape: WindowFunctions;
+    shape: ShapeWindows;
 }
 
 declare type ShiftTarget = 'origin' | 'current';
@@ -3282,6 +3303,10 @@ declare interface Signals2DToZOptions {
  * imaginary parts, that is why the couplings should be assigned in order to generate the spin system.
  */
 export declare function signalsToFID(signals: NMRSignal1D[], options: SignalsToFIDOptions): {
+    x: DoubleArray;
+    re: DoubleArray;
+    im: DoubleArray;
+} | {
     re: DoubleArray;
     im: DoubleArray;
 };
@@ -3392,9 +3417,9 @@ declare interface SimulationOptions {
     twoD?: Partial<TwoDOptions>;
 }
 
-declare interface SineBell {
+declare interface SineBell<ShapeOption = SineBellOptions> {
     kind: 'sineBell';
-    options: SineBellOptions;
+    options: ShapeOption;
 }
 
 declare interface SineBellOptions {
@@ -3535,6 +3560,27 @@ export declare interface SumOptions {
 
 export declare type Targets = Record<string, NMRRangeWithIntegration>;
 
+declare interface Traf<ShapeOption = TrafOptions> {
+    kind: 'traf';
+    options: ShapeOption;
+}
+
+declare interface TrafOptions {
+    /**
+     * line broadening value in Hz, a negative value will invert the shape
+     * @default 0.3
+     */
+    lb?: number;
+    /**
+     * increment value in time or the independent value
+     */
+    dw: number;
+    /**
+     * Specifies the number of points in the window function.
+     */
+    length: number;
+}
+
 /**
  * convert from pattern name to only one letter abbreviation or any supported abbreviation to pattern name.
  * @param name - pattern name or abbreviation.
@@ -3569,7 +3615,7 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
 
  export declare function updateRangesRelativeValues(spectrum: Entry1D, forceCalculateIntegral?: boolean): void;
 
- declare type WindowFunctions = Exponential | LorentToGauss | SineBell;
+ declare type WindowFunctions = Exponential | LorentToGauss | SineBell | Traf;
 
  /**
   * Predict back points by singular value decomposition.