nmr-processing 9.5.0 → 9.5.1-pre.1685396168

package/lib/datum/data2d/utils/mapZones.js

@@ -0,0 +1,68 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.mapZones = void 0;
+const uuid_1 = require("@lukeed/uuid");
+const SignalsKinds_1 = require("../../../constants/SignalsKinds");
+const get2DSpectrumErrorValue_1 = require("./get2DSpectrumErrorValue");
+const getShift_1 = require("./getShift");
+const isZoneExists_1 = require("./isZoneExists");
+function getSignal(signal, shiftTarget, shift) {
+    const { x, y } = signal;
+    if (shiftTarget === 'origin') {
+        return {
+            ...signal,
+            x: {
+                ...x,
+                originDelta: x.delta - shift.x,
+            },
+            y: {
+                ...y,
+                originDelta: y.delta - shift.y,
+            },
+        };
+    }
+    else {
+        return {
+            ...signal,
+            x: {
+                ...x,
+                delta: x.originDelta + shift.x,
+            },
+            y: {
+                ...y,
+                delta: y.originDelta + shift.y,
+            },
+        };
+    }
+}
+function mapZones(zones, datum, options = {}) {
+    const { checkIsExisting = true, shiftTarget = 'origin' } = options;
+    const shift = (0, getShift_1.getShift)(datum);
+    const error = (0, get2DSpectrumErrorValue_1.get2DSpectrumErrorValue)(datum);
+    let _zones = zones;
+    if (checkIsExisting) {
+        _zones = zones.filter((zone) => !(0, isZoneExists_1.isZoneExists)(zone, datum, error));
+    }
+    return _zones.map((zone) => {
+        const x = zone.x || { from: 0, to: 0 };
+        const y = zone.y || { from: 0, to: 0 };
+        const signals = zone.signals.map((signal) => {
+            const { id, kind } = signal;
+            return {
+                ...getSignal(signal, shiftTarget, shift),
+                id: id || (0, uuid_1.v4)(),
+                kind: kind || 'signal',
+            };
+        });
+        return {
+            ...zone,
+            id: zone.id || (0, uuid_1.v4)(),
+            x: { from: x.from, to: x.to },
+            y: { from: y.from, to: y.to },
+            signals,
+            kind: zone.kind || SignalsKinds_1.DatumKind.signal,
+        };
+    });
+}
+exports.mapZones = mapZones;
+//# sourceMappingURL=mapZones.js.map

package/lib/datum/data2d/utils/mapZones.js.map

@@ -0,0 +1 @@
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package/lib/datum/data2d/utils/updateZones.d.ts

@@ -0,0 +1,2 @@
+import { Spectrum2D } from '../../../types/Spectrum/Spectrum2D';
+export declare function updateZones(spectrum: Spectrum2D): void;

package/lib/datum/data2d/utils/updateZones.js

@@ -0,0 +1,12 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.updateZones = void 0;
+const mapZones_1 = require("./mapZones");
+function updateZones(spectrum) {
+    spectrum.zones.values = (0, mapZones_1.mapZones)(spectrum.zones.values, spectrum, {
+        checkIsExisting: false,
+        shiftTarget: 'current',
+    });
+}
+exports.updateZones = updateZones;
+//# sourceMappingURL=updateZones.js.map

package/lib/datum/data2d/utils/updateZones.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"updateZones.js","sourceRoot":"","sources":["../../../../src/datum/data2d/utils/updateZones.ts"],"names":[],"mappings":";;;AAEA,yCAAsC;AAEtC,SAAgB,WAAW,CAAC,QAAoB;IAC9C,QAAQ,CAAC,KAAK,CAAC,MAAM,GAAG,IAAA,mBAAQ,EAAC,QAAQ,CAAC,KAAK,CAAC,MAAM,EAAE,QAAQ,EAAE;QAChE,eAAe,EAAE,KAAK;QACtB,WAAW,EAAE,SAAS;KACvB,CAAC,CAAC;AACL,CAAC;AALD,kCAKC"}

package/lib/index.d.ts

@@ -1,5 +1,6 @@
 export * from 'gyromagnetic-ratio';
 export * from './constants/impurities';
+export * from './constants/SignalsKinds';
 export * from './constants/couplingPatterns';
 export * from './peaks/peaksFilterImpurities';
 export * from './peaks/peaksToXY';
@@ -32,6 +33,7 @@ export * from './xy/xyPeaksOptimization';
 export * from './xyz/xyzAutoZonesPicking';
 export * from './xyz/xyzAutoSignalsPicking';
 export * from './xyz/xyzJResAnalyzer';
+export * from './xyz/xyzBidimensionalFFT';
 export * from './databases/getDatabase';
 export * from './databases/carbonImpurities';
 export * from './databases/protonImpurities';
@@ -44,8 +46,41 @@ export * from './multiplicity/splitPatterns';
 export * from './multiplicity/checkMultiplet';
 export * from './multiplicity/checkMultiplicity';
 export * from './multiplicity/translateMultiplet';
+export * from './datum/Filters';
+export * as FiltersManager from './datum/FiltersManager';
+export * from './datum/data1d/utils/getShiftX';
+export * from './datum/data1d/utils/getSpectrumErrorValue';
+export * from './datum/data1d/utils/mapPeaks';
+export * from './datum/data1d/utils/mapRanges';
+export * from './datum/data1d/utils/updateRanges';
+export * from './datum/data1d/utils/checkIntegralKind';
+export * from './datum/data1d/updateRelatives';
+export * from './datum/data1d/utils/updateRangesRelativeValues';
+export * from './datum/data1d/utils/updateIntegralsRelativeValues';
+export * as RangeUtilities from './datum/data1d/utils/RangeUtilities';
+export type { BaseFilter, Filter } from './types/Filter';
 export type { NMRSignal1D } from './signals/NMRSignal1D';
 export type { NMRSignal2D, Signal2DProjection } from './xyz/NMRSignal2D';
+export type { Peaks } from './types/Peaks/Peaks';
+export type { Peak1D } from './types/Peaks/Peak1D';
+export type { Peak2D } from './types/Peaks/Peak2D';
+export type { Signal1D } from './types/Signals/Signal1D';
+export type { Signal2D } from './types/Signals/Signal2D';
+export type { Range, Ranges } from './types/Ranges/Ranges';
+export type { Zone } from './types/Zones/Zone';
+export type { Zones } from './types/Zones/Zones';
+export type { Data1D } from './types/Data1D';
+export type { Data2D } from './types/Data2D';
+export type { Display1D } from './types/Display1D';
+export type { Color2D, Display2D } from './types/Display2D';
+export type { Info1D } from './types/Info/Info1D';
+export type { Info2D } from './types/Info/Info2D';
+export type { Integral } from './types/Integral';
+export type { Integrals } from './types/Integrals';
+export type { SumOptions } from './types/Options/SumOptions';
+export type { Spectrum } from './types/Spectrum/Spectrum';
+export type { Spectrum1D, Spectrum1DSource } from './types/Spectrum/Spectrum1D';
+export type { Spectrum2D, Spectrum2DSource } from './types/Spectrum/Spectrum2D';
 export type { NMRRange } from './xy/NMRRange';
 export type { NMRZone } from './xyz/NMRZone';
 export type { NMRPeak1D } from './peaks/NMRPeak1D';

package/lib/index.js

@@ -10,12 +10,26 @@ var __createBinding = (this && this.__createBinding) || (Object.create ? (functi
     if (k2 === undefined) k2 = k;
     o[k2] = m[k];
 }));
+var __setModuleDefault = (this && this.__setModuleDefault) || (Object.create ? (function(o, v) {
+    Object.defineProperty(o, "default", { enumerable: true, value: v });
+}) : function(o, v) {
+    o["default"] = v;
+});
 var __exportStar = (this && this.__exportStar) || function(m, exports) {
     for (var p in m) if (p !== "default" && !Object.prototype.hasOwnProperty.call(exports, p)) __createBinding(exports, m, p);
 };
+var __importStar = (this && this.__importStar) || function (mod) {
+    if (mod && mod.__esModule) return mod;
+    var result = {};
+    if (mod != null) for (var k in mod) if (k !== "default" && Object.prototype.hasOwnProperty.call(mod, k)) __createBinding(result, mod, k);
+    __setModuleDefault(result, mod);
+    return result;
+};
 Object.defineProperty(exports, "__esModule", { value: true });
+exports.RangeUtilities = exports.FiltersManager = void 0;
 __exportStar(require("gyromagnetic-ratio"), exports);
 __exportStar(require("./constants/impurities"), exports);
+__exportStar(require("./constants/SignalsKinds"), exports);
 __exportStar(require("./constants/couplingPatterns"), exports);
 __exportStar(require("./peaks/peaksFilterImpurities"), exports);
 __exportStar(require("./peaks/peaksToXY"), exports);
@@ -48,6 +62,7 @@ __exportStar(require("./xy/xyPeaksOptimization"), exports);
 __exportStar(require("./xyz/xyzAutoZonesPicking"), exports);
 __exportStar(require("./xyz/xyzAutoSignalsPicking"), exports);
 __exportStar(require("./xyz/xyzJResAnalyzer"), exports);
+__exportStar(require("./xyz/xyzBidimensionalFFT"), exports);
 __exportStar(require("./databases/getDatabase"), exports);
 __exportStar(require("./databases/carbonImpurities"), exports);
 __exportStar(require("./databases/protonImpurities"), exports);
@@ -60,4 +75,16 @@ __exportStar(require("./multiplicity/splitPatterns"), exports);
 __exportStar(require("./multiplicity/checkMultiplet"), exports);
 __exportStar(require("./multiplicity/checkMultiplicity"), exports);
 __exportStar(require("./multiplicity/translateMultiplet"), exports);
+__exportStar(require("./datum/Filters"), exports);
+exports.FiltersManager = __importStar(require("./datum/FiltersManager"));
+__exportStar(require("./datum/data1d/utils/getShiftX"), exports);
+__exportStar(require("./datum/data1d/utils/getSpectrumErrorValue"), exports);
+__exportStar(require("./datum/data1d/utils/mapPeaks"), exports);
+__exportStar(require("./datum/data1d/utils/mapRanges"), exports);
+__exportStar(require("./datum/data1d/utils/updateRanges"), exports);
+__exportStar(require("./datum/data1d/utils/checkIntegralKind"), exports);
+__exportStar(require("./datum/data1d/updateRelatives"), exports);
+__exportStar(require("./datum/data1d/utils/updateRangesRelativeValues"), exports);
+__exportStar(require("./datum/data1d/utils/updateIntegralsRelativeValues"), exports);
+exports.RangeUtilities = __importStar(require("./datum/data1d/utils/RangeUtilities"));
 //# sourceMappingURL=index.js.map

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package/lib/signals/signalsToRanges.js.map

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package/lib/signals/simulation/simulateXYPeaks.js.map

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package/lib/signals/utils/jAnalyzer.d.ts

@@ -1,5 +1,6 @@
 import type { NMRPeak1D } from '../../peaks/NMRPeak1D';
 import type { MakeMandatory } from '../../utilities/MakeMandatory';
+import { Jcoupling } from '../Jcoupling';
 export interface JAxisKeys {
     [key: string]: string;
     jAxis: string;
@@ -14,7 +15,7 @@ export type Peak1DIntern = Omit<NMRPeak1D, 'y' | 'shape'> & {
     intensity: number;
 };
 export interface SignalIntern {
-    id: string;
+    id?: string;
     delta: number;
     nbPeaks: number;
     startX: number;
@@ -24,19 +25,21 @@ export interface SignalIntern {
     mask?: boolean[];
     mask2?: boolean[];
     maskPattern?: boolean[];
-    nmrJs?: Array<{
-        coupling: number;
-        multiplicity: string;
-    }>;
+    nmrJs?: Jcoupling[];
     multiplicity?: string;
     pattern?: string;
     observe: number;
-    nucleus: string;
-    kind: string;
+    nucleus?: string;
+    kind?: string;
     integralData: IntergralData;
     peaks: Peak1DIntern[];
     peaksComp?: Peak1DIntern[];
 }
+export type SignalFlexiblePeaks = Omit<SignalIntern, 'peaks'> & {
+    peaks: Array<Omit<Peak1DIntern, 'intensity'> & {
+        intensity?: number;
+    }>;
+};
 type SignalInternMandatory = MakeMandatory<SignalIntern, 'symRank' | 'mask' | 'peaksComp'>;
 export interface OpitonsCompilePatter {
     jAxisKey?: JAxisKeys;
@@ -48,6 +51,6 @@ declare const _default: {
      * @param {object} signal
      * @private
      */
-    compilePattern: (inputSignal: SignalIntern, options?: OpitonsCompilePatter) => SignalInternMandatory;
+    compilePattern: (inputSignal: SignalFlexiblePeaks, options?: OpitonsCompilePatter) => SignalInternMandatory;
 };
 export default _default;

package/lib/signals/utils/jAnalyzer.js.map

@@ -1 +1 @@
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package/lib/types/ContourOptions.d.ts

@@ -0,0 +1,10 @@
+export interface ContourOptions {
+    positive: {
+        contourLevels: [number, number];
+        numberOfLayers: number;
+    };
+    negative: {
+        contourLevels: [number, number];
+        numberOfLayers: number;
+    };
+}

package/lib/types/ContourOptions.js

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

package/lib/types/ContourOptions.js.map

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

package/lib/types/Data1D.d.ts

@@ -0,0 +1,5 @@
+export interface Data1D {
+    x: Float64Array;
+    re: Float64Array;
+    im?: Float64Array;
+}

package/lib/types/Data1D.js

@@ -0,0 +1,3 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+//# sourceMappingURL=Data1D.js.map

package/lib/types/Data1D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"Data1D.js","sourceRoot":"","sources":["../../src/types/Data1D.ts"],"names":[],"mappings":""}

package/lib/types/Data2D.d.ts

@@ -0,0 +1,5 @@
+import { Data2DFid, Data2DFt } from 'cheminfo-types';
+export { Data2DFid } from 'cheminfo-types';
+export { Data2DFt } from 'cheminfo-types';
+export { MinMaxContent as Data2DContent } from 'cheminfo-types';
+export type Data2D = Data2DFid | Data2DFt;

package/{lib-esm/xyz → lib/types}/Data2D.js.map

@@ -1 +1 @@
-{"version":3,"file":"Data2D.js","sourceRoot":"","sources":["../../src/xyz/Data2D.ts"],"names":[],"mappings":""}
+{"version":3,"file":"Data2D.js","sourceRoot":"","sources":["../../src/types/Data2D.ts"],"names":[],"mappings":""}

package/lib/types/Display.d.ts

@@ -0,0 +1,3 @@
+export interface Display {
+    isVisible: boolean;
+}

package/lib/types/Display.js

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

package/lib/types/Display.js.map

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

package/lib/types/Display1D.d.ts

@@ -0,0 +1,7 @@
+import { Display } from './Display';
+export interface Display1D extends Display {
+    color: string;
+    isPeaksMarkersVisible: boolean;
+    isRealSpectrumVisible: boolean;
+    isVisibleInDomain: boolean;
+}

package/lib/types/Display1D.js

@@ -0,0 +1,3 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+//# sourceMappingURL=Display1D.js.map

package/lib/types/Display1D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"Display1D.js","sourceRoot":"","sources":["../../src/types/Display1D.ts"],"names":[],"mappings":""}

package/lib/types/Display2D.d.ts

@@ -0,0 +1,11 @@
+import { ContourOptions } from './ContourOptions';
+import { Display } from './Display';
+export interface Color2D {
+    positiveColor: string;
+    negativeColor: string;
+}
+export interface Display2D extends Color2D, Display {
+    isPositiveVisible: boolean;
+    isNegativeVisible: boolean;
+    contourOptions: ContourOptions;
+}

package/lib/types/Display2D.js

@@ -0,0 +1,3 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+//# sourceMappingURL=Display2D.js.map

package/lib/types/Display2D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"Display2D.js","sourceRoot":"","sources":["../../src/types/Display2D.ts"],"names":[],"mappings":""}

package/lib/types/Filter.d.ts

@@ -0,0 +1,11 @@
+export interface BaseFilter {
+    name: string;
+    value: any;
+    isDeleteAllow?: boolean;
+    flag?: boolean | null;
+    label?: string;
+}
+export interface Filter extends Required<BaseFilter> {
+    id: string;
+    error?: string;
+}

package/lib/types/Filter.js

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

package/lib/types/Filter.js.map

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

package/lib/types/Info/Info.d.ts

@@ -0,0 +1,15 @@
+export interface Info {
+    isFid: boolean;
+    phc1?: number;
+    phc0?: number;
+    aqMod?: number;
+    isComplex: boolean;
+    dimension: number;
+    isFt: boolean;
+    experiment?: any;
+    digitalFilter?: number;
+    experimentNumber?: number;
+    solvent?: string;
+    pulseSequence?: string;
+    name: string;
+}

package/lib/types/Info/Info.js

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

package/lib/types/Info/Info.js.map

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

package/lib/types/Info/Info1D.d.ts

@@ -0,0 +1,13 @@
+import { Info } from './Info';
+export interface Info1D extends Info {
+    nucleus: string;
+    spectralWidth: number;
+    originFrequency: number;
+    baseFrequency?: number;
+    digitalFilter?: number;
+    frequencyOffset?: number;
+    owner?: string;
+    reverse?: boolean;
+    DECIM?: number;
+    DSPFVS?: number;
+}

package/lib/types/Info/Info1D.js

@@ -0,0 +1,3 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+//# sourceMappingURL=Info1D.js.map

package/lib/types/Info/Info1D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"Info1D.js","sourceRoot":"","sources":["../../../src/types/Info/Info1D.ts"],"names":[],"mappings":""}

package/lib/types/Info/Info2D.d.ts

@@ -0,0 +1,10 @@
+import { Info } from './Info';
+export interface Info2D extends Info {
+    nucleus: string[];
+    digitalFilter?: number;
+    originFrequency: number[];
+    baseFrequency: number[];
+    frequencyOffset: number[];
+    spectralWidth: number[];
+    reverse?: boolean[];
+}

package/lib/types/Info/Info2D.js

@@ -0,0 +1,3 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+//# sourceMappingURL=Info2D.js.map

package/lib/types/Info/Info2D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"Info2D.js","sourceRoot":"","sources":["../../../src/types/Info/Info2D.ts"],"names":[],"mappings":""}