nmr-processing 6.0.0 → 6.0.4

package/src/prediction/predictAll.ts

@@ -1,12 +1,11 @@
 import type { Molecule } from 'openchemlib';
 
-import type { Prediction1D } from '../types/prediction1D';
-
 import { predictCOSY } from './predictCOSY';
 import { predictCarbon, PredictCarbonOptions } from './predictCarbon';
 import { predictHMBC } from './predictHMBC';
 import { predictHSQC } from './predictHSQC';
 import { predictProton, PredictProtonOptions } from './predictProton';
+import type { Prediction1D } from './prediction1D';
 import { getPredictions } from './utils/getPredictions';
 import type { Predictor } from './utils/predict2D';
 

package/src/prediction/predictCOSY.ts

@@ -1,8 +1,7 @@
 import { Molecule } from 'openchemlib';
 
-import type { Prediction1D } from '../types/prediction1D';
-
 import { predictProton, PredictProtonOptions } from './predictProton';
+import type { Prediction1D } from './prediction1D';
 import { predict2D, Predictor } from './utils/predict2D';
 
 export interface PredictCOSYOptions {

package/src/prediction/predictCarbon.ts

@@ -1,12 +1,12 @@
 import fetch from 'cross-fetch';
 import type { Molecule } from 'openchemlib';
 
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
 import { signalsToRanges } from '../signals/signalsToRanges';
-import type { MakeMandatory } from '../types/MakeMandatory';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
-import type { DataBaseStructure } from '../types/dataStructure';
-import type { Prediction1D } from '../types/prediction1D';
+import type { MakeMandatory } from '../utilities/MakeMandatory';
 
+import type { DataBaseStructure } from './dataStructure';
+import type { Prediction1D } from './prediction1D';
 import { fetchPrediction } from './utils/fetchPrediction';
 import { flatGroupedDiaIDs } from './utils/flatGroupedDiaIDs';
 import { getFilteredIDiaIDs } from './utils/getFilteredIDiaIDs';

package/src/prediction/predictHMBC.ts

@@ -1,11 +1,10 @@
 import { Molecule } from 'openchemlib';
 
-import type { Prediction1D } from '../types/prediction1D';
-
 import { predictCarbon } from './predictCarbon';
 import type { PredictCarbonOptions } from './predictCarbon';
 import { predictProton } from './predictProton';
 import type { PredictProtonOptions } from './predictProton';
+import type { Prediction1D } from './prediction1D';
 import { predict2D } from './utils/predict2D';
 import type { Predictor } from './utils/predict2D';
 

package/src/prediction/predictHSQC.ts

@@ -1,9 +1,8 @@
 import { Molecule } from 'openchemlib';
 
-import type { Prediction1D } from '../types/prediction1D';
-
 import { predictCarbon, PredictCarbonOptions } from './predictCarbon';
 import { predictProton, PredictProtonOptions } from './predictProton';
+import type { Prediction1D } from './prediction1D';
 import { predict2D, Predictor } from './utils/predict2D';
 
 export interface PredictHSQCOptions {

package/src/prediction/predictProton.ts

@@ -7,10 +7,11 @@ import {
   getDiastereotopicAtomIDs,
 } from 'openchemlib-utils';
 
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
 import { signalsJoin } from '../signals/signalsJoin';
 import { signalsToRanges } from '../signals/signalsToRanges';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
-import type { Prediction1D } from '../types/prediction1D';
+
+import type { Prediction1D } from './prediction1D';
 
 /**
  * Makes a prediction using proton.
@@ -45,7 +46,7 @@ export async function predictProton(
     formData.append('molfile', molfile);
     const response = await fetch('https://www.nmrdb.org/service/predictor', {
       method: 'POST',
-      //@ts-expect-error
+      // @ts-expect-error RequestInit type does not include FormData.
       body: formData,
     });
     result = await response.text();

package/src/{types → prediction}/prediction1D.ts

@@ -1,7 +1,7 @@
 import type { Molecule } from 'openchemlib';
 
-import type { NMRRange } from './NMRRange';
-import type { NMRSignal1D } from './NMRSignal1D';
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
+import type { NMRRange } from '../xy/NMRRange';
 
 export interface Prediction1D {
   molfile: string;

package/src/prediction/utils/fetchPrediction.ts

@@ -1,7 +1,7 @@
 import { fetch } from 'cross-fetch';
 import { Molecule } from 'openchemlib';
 
-import type { Prediction1D } from '../../types/prediction1D';
+import type { Prediction1D } from '../prediction1D';
 
 interface FetchPredictionOptions {
   webserviceURL: string;

package/src/prediction/utils/getPredictions.ts

@@ -1,6 +1,6 @@
 import type { Molecule } from 'openchemlib';
 
-import type { Prediction1D } from '../../types/prediction1D';
+import type { Prediction1D } from '../prediction1D';
 
 import type { Predictions, PredictOptions, Predictors } from './predict2D';
 
@@ -12,7 +12,7 @@ export async function getPredictions(
   predictions?: Predictions,
 ) {
   let prediction: Prediction1D | undefined;
-  if (predictions && predictions[key]) {
+  if (predictions?.[key]) {
     prediction = predictions[key];
   } else if (predictor) {
     const fromPredictor = predictor[key];

package/src/prediction/utils/predict2D.ts

@@ -11,12 +11,12 @@ import type {
   PathInfo,
 } from 'openchemlib-utils';
 
-import type { MakeMandatory } from '../../types/MakeMandatory';
-import type { NMRSignal1D } from '../../types/NMRSignal1D';
-import type { NMRSignal2D } from '../../types/NMRSignal2D';
-import type { Prediction1D } from '../../types/prediction1D';
+import type { NMRSignal1D } from '../../signals/NMRSignal1D';
+import type { MakeMandatory } from '../../utilities/MakeMandatory';
+import type { NMRSignal2D } from '../../xyz/NMRSignal2D';
 import type { PredictCarbon, PredictCarbonOptions } from '../predictCarbon';
 import type { PredictProton, PredictProtonOptions } from '../predictProton';
+import type { Prediction1D } from '../prediction1D';
 
 import { getNuclei } from './getNuclei';
 import { getPredictions } from './getPredictions';

package/src/prediction/utils/queryByHOSE.ts

@@ -1,4 +1,4 @@
-import type { DataBaseStructure } from '../../types/dataStructure';
+import type { DataBaseStructure } from '../dataStructure';
 
 import type { GroupedDiaIDsWithHose } from './getFilteredIDiaIDs';
 

package/src/ranges/rangesToACS.ts

@@ -1,9 +1,17 @@
 import { signalJoinCouplings } from '../signal/signalJoinCouplings';
 import { signalMultiplicityPattern } from '../signal/signalMultiplicityPattern';
-import type { NMRRange } from '../types/NMRRange';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
+import type { NMRRange } from '../xy/NMRRange';
 
-const globalOptions = {
+const globalOptions: Record<
+  string,
+  {
+    nucleus: string;
+    nbDecimalDelta: number;
+    nbDecimalJ: number;
+    observedFrequency: number;
+  }
+> = {
   h: {
     nucleus: '1H',
     nbDecimalDelta: 2,
@@ -62,9 +70,8 @@ export function rangesToACS(
   options: RangesToACSOptions = {},
 ) {
   if (!options.nucleus) options.nucleus = '1H';
-  let nucleus = options.nucleus.toLowerCase().replace(/[0-9]/g, '');
-  //@ts-expect-error
-  let defaultOptions = globalOptions[nucleus];
+  const nucleus = options.nucleus.toLowerCase().replace(/[0-9]/g, '');
+  const defaultOptions = globalOptions[nucleus];
   options = Object.assign(
     {},
     defaultOptions,
@@ -75,13 +82,13 @@ export function rangesToACS(
   ranges = JSON.parse(JSON.stringify(ranges));
   if (options.ascending === true) {
     ranges.sort((a, b) => {
-      let fromA = Math.min(a.from, a.to);
-      let fromB = Math.min(b.from, b.to);
+      const fromA = Math.min(a.from, a.to);
+      const fromB = Math.min(b.from, b.to);
       return fromA - fromB;
     });
   }
-  let acsString = formatAcs(ranges, options);
 
+  let acsString = formatAcs(ranges, options);
   if (acsString.length > 0) acsString += '.';
 
   return acsString;
@@ -90,8 +97,8 @@ export function rangesToACS(
 function formatAcs(ranges: NMRRange[], options: any) {
   let acs = spectroInformation(options);
   if (acs.length === 0) acs = 'δ ';
-  let acsRanges: string[] = [];
-  for (let range of ranges) {
+  const acsRanges: string[] = [];
+  for (const range of ranges) {
     if (uselessKind(range.kind, options.filter)) continue;
     pushDelta(range, acsRanges, options);
   }
@@ -103,7 +110,7 @@ function formatAcs(ranges: NMRRange[], options: any) {
 }
 
 function spectroInformation(options: any) {
-  let parenthesis = [];
+  const parenthesis = [];
   let strings = `${formatNucleus(options.nucleus)} NMR`;
   if (options.solvent) {
     parenthesis.push(formatMF(options.solvent));
@@ -122,7 +129,7 @@ function spectroInformation(options: any) {
 function pushDelta(range: NMRRange, acsRanges: string[], options: any) {
   let strings = '';
   let parenthesis: any = [];
-  let fromTo = [range.from, range.to];
+  const fromTo = [range.from, range.to];
 
   if (range.signals) {
     range.signals = range.signals.filter(

package/src/ranges/rangesToXY.ts

@@ -3,10 +3,10 @@ import arraySequentialFill from 'ml-array-sequential-fill';
 import type { Shape1D } from 'ml-peak-shape-generator';
 import { SpectrumGenerator } from 'spectrum-generator';
 
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
 import { hackSignalsToXY } from '../signals/hackSignalsToXY';
-import type { MakeMandatory } from '../types/MakeMandatory';
-import type { NMRRange } from '../types/NMRRange';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
+import type { MakeMandatory } from '../utilities/MakeMandatory';
+import type { NMRRange } from '../xy/NMRRange';
 
 type RangeWithSignal = MakeMandatory<NMRRange, 'signals'>;
 

package/src/signal/signalJoinCouplings.ts

@@ -1,8 +1,8 @@
 import sum from 'ml-array-sum';
 
-import type { MakeMandatory } from '../types/MakeMandatory';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
-import type { Jcoupling } from '../types/jcoupling';
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
+import type { Jcoupling } from '../signals/jcoupling';
+import type { MakeMandatory } from '../utilities/MakeMandatory';
 import { joinPatterns } from '../utilities/joinPatterns';
 
 export interface SignalJoinCouplingsOptions {

package/src/signal/signalMultiplicityPattern.ts

@@ -1,4 +1,4 @@
-import type { NMRSignal1D } from '../types/NMRSignal1D';
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
 /**
  * Return
  * @param {*} signal

package/src/{types → signals}/NMRSignal1D.ts

@@ -1,4 +1,5 @@
-import type { NMRPeak1D } from './NMRPeak1D';
+import type { NMRPeak1D } from '../peaks/NMRPeak1D';
+
 import type { Jcoupling } from './jcoupling';
 
 export interface NMRSignal1D {

package/src/signals/hackSignalsToXY.ts

@@ -1,7 +1,7 @@
 import { couplingPatterns } from '../constants/couplingPatterns';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
-import type { Jcoupling } from '../types/jcoupling';
 
+import type { NMRSignal1D } from './NMRSignal1D';
+import type { Jcoupling } from './jcoupling';
 import { OptionsSignalsToXY, signalsToXY } from './signalsToXY';
 
 /**

package/src/signals/signals2DToZ.ts

@@ -1,7 +1,7 @@
 import { generateSpectrum2D } from 'spectrum-generator';
 import type { XYNumber } from 'spectrum-generator';
 
-import type { NMRSignal2D } from '../types/NMRSignal2D';
+import type { NMRSignal2D } from '../xyz/NMRSignal2D';
 
 interface Signals2DToZOptions {
   /**

package/src/signals/signalsJoin.ts

@@ -3,9 +3,10 @@ import sum from 'ml-array-sum';
 
 import { signalJoinCouplings } from '../signal/signalJoinCouplings';
 import type { SignalJoinCouplingsOptions } from '../signal/signalJoinCouplings';
-import type { MakeMandatory } from '../types/MakeMandatory';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
-import type { Jcoupling } from '../types/jcoupling';
+import type { MakeMandatory } from '../utilities/MakeMandatory';
+
+import type { NMRSignal1D } from './NMRSignal1D';
+import type { Jcoupling } from './jcoupling';
 
 export interface SignalsJoinOptions {
   /**

package/src/signals/signalsToRanges.ts

@@ -1,7 +1,8 @@
-import type { MakeMandatory } from '../types/MakeMandatory';
-import type { NMRRange } from '../types/NMRRange';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
+import type { MakeMandatory } from '../utilities/MakeMandatory';
 import { rangeFromSignal } from '../utilities/rangeFromSignal';
+import type { NMRRange } from '../xy/NMRRange';
+
+import type { NMRSignal1D } from './NMRSignal1D';
 
 interface SignalsToRangesOptions {
   /**

package/src/signals/signalsToXY.ts

@@ -2,10 +2,10 @@ import rescale from 'ml-array-rescale';
 import arraySequentialFill from 'ml-array-sequential-fill';
 import type { Shape1D } from 'ml-peak-shape-generator';
 
-import type { MakeMandatory } from '../types/MakeMandatory';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
-import type { Jcoupling } from '../types/jcoupling';
+import type { MakeMandatory } from '../utilities/MakeMandatory';
 
+import type { NMRSignal1D } from './NMRSignal1D';
+import type { Jcoupling } from './jcoupling';
 import { signalsToSpinSystem } from './simulation/signalsToSpinSystem';
 import simulate1D from './simulation/simulate1D';
 import { splitSpinSystem } from './simulation/splitSpinSystem';

package/src/signals/simulation/signalsToSpinSystem.ts

@@ -1,10 +1,10 @@
 import { Matrix } from 'ml-matrix';
 import simpleClustering from 'ml-simple-clustering';
 
-import type { MakeMandatory } from '../../types/MakeMandatory';
-import type { NMRSignal1D } from '../../types/NMRSignal1D';
-import type { Jcoupling } from '../../types/jcoupling';
-import type { SpinSystem } from '../../types/spinSystem';
+import type { MakeMandatory } from '../../utilities/MakeMandatory';
+import type { NMRSignal1D } from '../NMRSignal1D';
+import type { Jcoupling } from '../jcoupling';
+import type { SpinSystem } from '../spinSystem';
 
 interface Ids {
   [index: number]: number;

package/src/signals/simulation/simulate1D.ts

@@ -6,7 +6,7 @@ import type { Shape1D } from 'ml-peak-shape-generator';
 import { SparseMatrix } from 'ml-sparse-matrix';
 import { SpectrumGenerator } from 'spectrum-generator';
 
-import type { SpinSystem } from '../../types/spinSystem';
+import type { SpinSystem } from '../spinSystem';
 
 import getPauliMatrix from './getPauliMatrix';
 
@@ -133,7 +133,8 @@ export default function simulate1D(
         clusterFake,
       );
       const hamSize = hamiltonian.rows;
-      //@ts-expect-error
+      // TODO: add support for sparse matrix in matrix types.
+      // @ts-expect-error sparse matrix not supported
       const evd = new EVD(hamiltonian);
       const V = evd.eigenvectorMatrix;
       const diagB = evd.realEigenvalues;

package/src/signals/simulation/splitSpinSystem.ts

@@ -2,7 +2,7 @@ import { agnes } from 'ml-hclust';
 import type { Cluster } from 'ml-hclust';
 import { Matrix } from 'ml-matrix';
 
-import type { SpinSystem } from '../../types/spinSystem';
+import type { SpinSystem } from '../spinSystem';
 
 export interface SplitSpinSystemOptions {
   /**

package/src/utilities/rangeFromSignal.ts

@@ -1,5 +1,5 @@
 import { couplingValues } from '../constants/couplingValues';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
 
 export interface RangeFromSignalOptions {
   /**

package/src/utilities/resurrect.ts

@@ -1,4 +1,4 @@
-import type { NMRRange } from '../types/NMRRange';
+import type { NMRRange } from '../xy/NMRRange';
 
 import { resurrectRange } from './resurrectRange';
 import { splitParenthesis } from './splitParenthesis';

package/src/utilities/resurrectRange.ts

@@ -1,5 +1,5 @@
-import type { NMRRange } from '../types/NMRRange';
-import type { NMRSignal1D } from '../types/NMRSignal1D';
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
+import type { NMRRange } from '../xy/NMRRange';
 
 import { rangeFromSignal } from './rangeFromSignal';
 import { splitParenthesis } from './splitParenthesis';

package/src/{types → xy}/NMRRange.ts

@@ -1,4 +1,4 @@
-import type { NMRSignal1D } from './NMRSignal1D';
+import type { NMRSignal1D } from '../signals/NMRSignal1D';
 
 export interface NMRRange {
   from: number;

package/src/xy/xyAutoRangesPicking.ts

@@ -1,7 +1,8 @@
+import type { DataXY } from 'cheminfo-types';
+
 import { peaksFilterImpurities } from '../peaks/peaksFilterImpurities';
 import type { OptionsPeaksFilterImpurities } from '../peaks/peaksFilterImpurities';
 import { OptionsPeaksToRanges, peaksToRanges } from '../peaks/peaksToRanges';
-import type { XYNumberArray } from '../types/XYNumberArray';
 
 import { xyAutoPeaksPicking } from './xyAutoPeaksPicking';
 import type { OptionsXYAutoPeaksPicking } from './xyAutoPeaksPicking';
@@ -16,7 +17,7 @@ interface OptionsXYAutoRangesPicking {
  * Detect peaks, optimize parameters and compile multiplicity if required.
  */
 export function xyAutoRangesPicking(
-  data: XYNumberArray,
+  data: DataXY,
   options: OptionsXYAutoRangesPicking = {},
 ) {
   let peaks = xyAutoPeaksPicking(data, options.peakPicking);

package/src/{types → xyz}/NMRSignal2D.ts

@@ -17,6 +17,4 @@ export interface NMRSignal2D {
   id?: string;
   peaks?: Peak2D[];
   kind?: string;
-
-  _highlight?: (number | string)[];
 }

package/src/xyz/xyzAutoZonesPicking.ts

@@ -9,7 +9,8 @@ import { determineRealTop } from '../peaks/util/determineRealTop';
 import { getKernel } from '../peaks/util/getKernel';
 import type { GetKernelOptions } from '../peaks/util/getKernel';
 import * as PeakOptimizer from '../peaks/util/peakOptimizer';
-import type { NMRSignal2D } from '../types/NMRSignal2D';
+
+import type { NMRSignal2D } from './NMRSignal2D';
 
 const smallFilter = [
   [0, 0, 1, 2, 2, 2, 1, 0, 0],
@@ -31,7 +32,7 @@ export interface Data2D {
   maxY: number;
 }
 
-export interface XYZAutoPeaksPickingOptions {
+export interface XYZAutoZonesPickingOptions {
   /**
    * max number of points in any dimension to pad the input data, this is needed to avoid lost peaks when the input matrix is too small.
    * @default 14
@@ -89,7 +90,7 @@ export interface XYZAutoPeaksPickingOptions {
 
 export function xyzAutoZonesPicking(
   spectraData: Data2D,
-  options: XYZAutoPeaksPickingOptions,
+  options: XYZAutoZonesPickingOptions,
 ) {
   let {
     sizeToPad = 14,

package/src/xyz/xyzJResAnalyzer.ts

@@ -3,8 +3,9 @@ import simpleClustering from 'ml-simple-clustering';
 
 import type { JAxisKeys } from '../peaks/util/jAnalyzer';
 import jAnalyzer from '../peaks/util/jAnalyzer';
-import type { MakeMandatory } from '../types/MakeMandatory';
-import type { NMRSignal2D } from '../types/NMRSignal2D';
+import type { MakeMandatory } from '../utilities/MakeMandatory';
+
+import type { NMRSignal2D } from './NMRSignal2D';
 
 interface CompilePatternOptions {
   observedFrequencies?: number[] | Float64Array;

package/lib/types/MakeMandatory.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"MakeMandatory.js","sourceRoot":"","sources":["../../src/types/MakeMandatory.ts"],"names":[],"mappings":""}

package/lib/types/XYNumberArray.d.ts

@@ -1,4 +0,0 @@
-export interface XYNumberArray {
-    x: Array<number> | Float64Array;
-    y: Array<number> | Float64Array;
-}

package/lib/types/XYNumberArray.js

@@ -1,3 +0,0 @@
-"use strict";
-Object.defineProperty(exports, "__esModule", { value: true });
-//# sourceMappingURL=XYNumberArray.js.map

package/lib/types/XYNumberArray.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"XYNumberArray.js","sourceRoot":"","sources":["../../src/types/XYNumberArray.ts"],"names":[],"mappings":""}

package/lib/types/dataStructure.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"dataStructure.js","sourceRoot":"","sources":["../../src/types/dataStructure.ts"],"names":[],"mappings":""}

package/lib/types/modules/nmr-parser.d.ts

@@ -1,11 +0,0 @@
-declare module 'nmr-parser' {
-    interface FromBrukerOptions {
-        base64?: boolean;
-        shiftX?: number;
-        info?: any;
-        name?: string;
-    }
-    function fromBruker(zipFile: ArrayBuffer | string, options?: Partial<FromBrukerOptions>): Promise<Array<any>>;
-    function fromJCAMP(buffer: string | ArrayBuffer, options?: any): Array<any>;
-    function fromJEOL(buffer: ArrayBuffer): any;
-}

package/lib/types/modules/nmr-parser.js

@@ -1,2 +0,0 @@
-"use strict";
-//# sourceMappingURL=nmr-parser.js.map

package/lib/types/modules/nmr-parser.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"nmr-parser.js","sourceRoot":"","sources":["../../../src/types/modules/nmr-parser.ts"],"names":[],"mappings":""}

package/lib/types/nmrAssigment.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"nmrAssigment.js","sourceRoot":"","sources":["../../src/types/nmrAssigment.ts"],"names":[],"mappings":""}

package/lib/types/prediction1D.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"prediction1D.js","sourceRoot":"","sources":["../../src/types/prediction1D.ts"],"names":[],"mappings":""}

package/lib/types/prediction2D.js

@@ -1,2 +0,0 @@
-"use strict";
-//# sourceMappingURL=prediction2D.js.map

package/lib/types/prediction2D.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"prediction2D.js","sourceRoot":"","sources":["../../src/types/prediction2D.ts"],"names":[],"mappings":""}

package/lib-esm/types/MakeMandatory.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"MakeMandatory.js","sourceRoot":"","sources":["../../src/types/MakeMandatory.ts"],"names":[],"mappings":""}

package/lib-esm/types/XYNumberArray.js

@@ -1,2 +0,0 @@
-export {};
-//# sourceMappingURL=XYNumberArray.js.map

package/lib-esm/types/XYNumberArray.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"XYNumberArray.js","sourceRoot":"","sources":["../../src/types/XYNumberArray.ts"],"names":[],"mappings":""}

package/lib-esm/types/dataStructure.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"dataStructure.js","sourceRoot":"","sources":["../../src/types/dataStructure.ts"],"names":[],"mappings":""}

package/lib-esm/types/modules/nmr-parser.js

@@ -1,2 +0,0 @@
-"use strict";
-//# sourceMappingURL=nmr-parser.js.map

package/lib-esm/types/modules/nmr-parser.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"nmr-parser.js","sourceRoot":"","sources":["../../../src/types/modules/nmr-parser.ts"],"names":[],"mappings":""}

package/lib-esm/types/nmrAssigment.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"nmrAssigment.js","sourceRoot":"","sources":["../../src/types/nmrAssigment.ts"],"names":[],"mappings":""}

package/lib-esm/types/prediction1D.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"prediction1D.js","sourceRoot":"","sources":["../../src/types/prediction1D.ts"],"names":[],"mappings":""}

package/lib-esm/types/prediction2D.js

@@ -1,2 +0,0 @@
-"use strict";
-//# sourceMappingURL=prediction2D.js.map

package/lib-esm/types/prediction2D.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"prediction2D.js","sourceRoot":"","sources":["../../src/types/prediction2D.ts"],"names":[],"mappings":""}

package/src/types/XYNumberArray.ts

@@ -1,4 +0,0 @@
-export interface XYNumberArray {
-  x: Array<number> | Float64Array;
-  y: Array<number> | Float64Array;
-}

package/src/types/ml-levenberg-marquardt/index.d.ts

@@ -1,13 +0,0 @@
-declare module 'ml-levenberg-marquardt' {
-  import type { DataXY } from 'cheminfo-types';
-
-  export default function levenbergMarquardt(
-    data: DataXY,
-    parametrizedFunction: (p: number[]) => (t: number) => number,
-    options?: any,
-  ): {
-    parameterValues: Array<number>;
-    parameterError: number;
-    iterations: number;
-  };
-}