nmr-processing 9.5.0 → 9.5.1-pre.1684857934

package/lib/filters/filter1d/signalProcessing.js

@@ -0,0 +1,88 @@
+"use strict";
+var __createBinding = (this && this.__createBinding) || (Object.create ? (function(o, m, k, k2) {
+    if (k2 === undefined) k2 = k;
+    var desc = Object.getOwnPropertyDescriptor(m, k);
+    if (!desc || ("get" in desc ? !m.__esModule : desc.writable || desc.configurable)) {
+      desc = { enumerable: true, get: function() { return m[k]; } };
+    }
+    Object.defineProperty(o, k2, desc);
+}) : (function(o, m, k, k2) {
+    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 __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.filterXY = exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
+const Filters = __importStar(require("ml-signal-processing"));
+exports.id = 'signalProcessing';
+exports.name = 'Signal processing';
+exports.DOMAIN_UPDATE_RULES = {
+    updateXDomain: true,
+    updateYDomain: true,
+};
+function apply(spectrum, options) {
+    if (!isApplicable(spectrum)) {
+        throw new Error('Signal Processing is not applicable on this data');
+    }
+    spectrum.data = filterXY(spectrum, options);
+}
+exports.apply = apply;
+function isApplicable(spectrum) {
+    if (spectrum.info.isFt)
+        return true;
+    return false;
+}
+exports.isApplicable = isApplicable;
+function reduce(previousValue, newValue) {
+    return {
+        once: true,
+        reduce: newValue,
+    };
+}
+exports.reduce = reduce;
+function filterXY(spectrum, options) {
+    var _a;
+    let x = spectrum.data.x.slice(0);
+    let cloneX = spectrum.data.x.slice(0);
+    let re = spectrum.data.re.slice(0);
+    let im = (_a = spectrum.data.im) === null || _a === void 0 ? void 0 : _a.slice(0);
+    const filters = options.filters.slice();
+    const { range: { from, to }, numberOfPoints, exclusionsZones: exclusions, } = options;
+    filters.push({
+        name: 'equallySpaced',
+        options: { from, to, numberOfPoints, exclusions },
+        properties: {},
+    });
+    for (const filter of filters) {
+        // eslint-disable-next-line import/namespace
+        const filterFunction = Filters[filter.name];
+        if (!filterFunction) {
+            throw new Error(`Unknown filter: ${filter.name}`);
+        }
+        const filterOptions = (filter === null || filter === void 0 ? void 0 : filter.options) || {};
+        // @ts-expect-error some method have options and some other ones don't have any options
+        const realResult = filterFunction({ x, y: re }, filterOptions);
+        x = realResult.data.x;
+        re = realResult.data.y;
+        if (im) {
+            const imaginaryResult = filterFunction({ x: cloneX, y: im }, 
+            // @ts-expect-error some method have options and some other ones don't have any options
+            filterOptions);
+            im = imaginaryResult.data.y;
+        }
+    }
+    return { x, re, im };
+}
+exports.filterXY = filterXY;
+//# sourceMappingURL=signalProcessing.js.map

package/lib/filters/filter1d/signalProcessing.js.map

@@ -0,0 +1 @@
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package/lib/filters/filter1d/utils/padDataToNextPowerOfTwo.d.ts

@@ -0,0 +1,2 @@
+import { Entry1D } from '../../Entry1D';
+export declare function padDataToNextPowerOfTwo(datum1D: Entry1D, digitalFilterApplied: boolean): void;

package/lib/filters/filter1d/utils/padDataToNextPowerOfTwo.js

@@ -0,0 +1,41 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.padDataToNextPowerOfTwo = void 0;
+const ml_spectra_processing_1 = require("ml-spectra-processing");
+function padDataToNextPowerOfTwo(datum1D, digitalFilterApplied) {
+    const { x, re, im } = datum1D.data;
+    const size = nextPowerOfTwo(x.length);
+    let newRE = new Float64Array(size);
+    let newIM = new Float64Array(size);
+    const pointsToShift = getPointsToShift(datum1D);
+    newRE.set(re.slice(0, size - pointsToShift));
+    newIM.set(im.slice(0, size - pointsToShift));
+    if (pointsToShift > 0 && digitalFilterApplied) {
+        newRE.set(re.slice(re.length - pointsToShift), size - pointsToShift);
+        newIM.set(im.slice(re.length - pointsToShift), size - pointsToShift);
+    }
+    const newX = (0, ml_spectra_processing_1.xSequentialFill)({
+        from: x[0],
+        size,
+        step: x[1] - x[0],
+    });
+    datum1D.data = { ...datum1D.data, re: newRE, im: newIM, x: newX };
+}
+exports.padDataToNextPowerOfTwo = padDataToNextPowerOfTwo;
+function getPointsToShift(datum1D) {
+    var _a;
+    let grpdly = ((_a = datum1D.info) === null || _a === void 0 ? void 0 : _a.digitalFilter) || 0;
+    return grpdly > 0 ? Math.floor(grpdly) : 0;
+}
+function nextPowerOfTwo(n) {
+    if (n === 0)
+        return 1;
+    n--;
+    n |= n >> 1;
+    n |= n >> 2;
+    n |= n >> 4;
+    n |= n >> 8;
+    n |= n >> 16;
+    return n + 1;
+}
+//# sourceMappingURL=padDataToNextPowerOfTwo.js.map

package/lib/filters/filter1d/utils/padDataToNextPowerOfTwo.js.map

@@ -0,0 +1 @@
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package/lib/filters/filter1d/zeroFilling.d.ts

@@ -0,0 +1,18 @@
+import { Data1D } from '../Data1D';
+import { Entry1D } from '../Entry1D';
+import { FilterDomainUpdateRules } from '../FiltersManager';
+export declare const id = "zeroFilling";
+export declare const name = "Zero Filling";
+export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
+export interface ZeroFillingOptions {
+    nbPoints?: number;
+    factor?: number;
+}
+export declare function apply(datum1D: Entry1D, options: ZeroFillingOptions): void;
+export declare function isApplicable(datum1D: Entry1D): datum1D is Entry1D & {
+    data: Required<Data1D>;
+};
+export declare function reduce(_previousValue: ZeroFillingOptions, newValue: ZeroFillingOptions): {
+    once: boolean;
+    reduce: ZeroFillingOptions;
+};

package/lib/filters/filter1d/zeroFilling.js

@@ -0,0 +1,68 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
+exports.id = 'zeroFilling';
+exports.name = 'Zero Filling';
+exports.DOMAIN_UPDATE_RULES = {
+    updateXDomain: true,
+    updateYDomain: false,
+};
+function apply(datum1D, options) {
+    var _a;
+    if (!isApplicable(datum1D)) {
+        throw new Error('zeroFilling not applicable on this data');
+    }
+    let { nbPoints, factor = 2 } = options;
+    if (!nbPoints) {
+        nbPoints = 2 ** Math.round(Math.log2(datum1D.data.x.length * factor));
+        const filter = datum1D.filters.find((filter) => filter.name === exports.id);
+        if (filter) {
+            filter.value = { nbPoints };
+        }
+    }
+    let digitalFilterApplied = datum1D.filters.some((e) => e.name === 'digitalFilter' && e.flag);
+    let grpdly = ((_a = datum1D.info) === null || _a === void 0 ? void 0 : _a.digitalFilter) || 0;
+    let pointsToShift;
+    if (grpdly > 0 && digitalFilterApplied) {
+        pointsToShift = Math.floor(grpdly);
+    }
+    else {
+        pointsToShift = 0;
+    }
+    const { re, im, x } = datum1D.data;
+    let newRE = new Float64Array(nbPoints);
+    let newIM = new Float64Array(nbPoints);
+    let newX = new Float64Array(nbPoints);
+    const length = Math.min(nbPoints, re.length);
+    newRE.set(re.slice(0, length - pointsToShift));
+    newIM.set(im.slice(0, length - pointsToShift));
+    newX.set(x.slice(0, length - pointsToShift));
+    let diff = x[1] - x[0];
+    let currentX = x[length - pointsToShift - 1];
+    for (let i = length - pointsToShift; i < nbPoints; i++) {
+        currentX += diff;
+        newX[i] = currentX;
+    }
+    if (pointsToShift > 0 && pointsToShift < nbPoints) {
+        newRE.set(re.slice(re.length - pointsToShift), nbPoints - pointsToShift);
+        newIM.set(im.slice(re.length - pointsToShift), nbPoints - pointsToShift);
+    }
+    datum1D.data = { ...datum1D.data, re: newRE, im: newIM, x: newX };
+}
+exports.apply = apply;
+function isApplicable(datum1D) {
+    if (datum1D.info.isComplex && datum1D.info.isFid) {
+        return true;
+    }
+    return false;
+}
+exports.isApplicable = isApplicable;
+function reduce(_previousValue, newValue) {
+    delete newValue.factor;
+    return {
+        once: true,
+        reduce: newValue,
+    };
+}
+exports.reduce = reduce;
+//# sourceMappingURL=zeroFilling.js.map

package/lib/filters/filter1d/zeroFilling.js.map

@@ -0,0 +1 @@
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package/lib/filters/filter2d/shiftX.d.ts

@@ -0,0 +1,14 @@
+import { Entry2D } from '../../xyz/Entry2D';
+export declare const id = "shift2DX";
+export declare const name = "Shift 2D X";
+/**
+ *
+ * @param {Object} datum2d
+ * @param {number} [shiftValue=0]
+ */
+export declare function apply(datum2D: Entry2D, shiftValue?: number): void;
+export declare function isApplicable(): boolean;
+export declare function reduce(previousValue: number, newValue: number): {
+    once: boolean;
+    reduce: number;
+};

package/lib/filters/filter2d/shiftX.js

@@ -0,0 +1,30 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.reduce = exports.isApplicable = exports.apply = exports.name = exports.id = void 0;
+exports.id = 'shift2DX';
+exports.name = 'Shift 2D X';
+/**
+ *
+ * @param {Object} datum2d
+ * @param {number} [shiftValue=0]
+ */
+function apply(datum2D, shiftValue = 0) {
+    const data = { ...datum2D.data };
+    for (const key in data) {
+        data[key].minX += shiftValue;
+        data[key].maxX += shiftValue;
+    }
+}
+exports.apply = apply;
+function isApplicable() {
+    return true;
+}
+exports.isApplicable = isApplicable;
+function reduce(previousValue, newValue) {
+    return {
+        once: true,
+        reduce: previousValue + newValue,
+    };
+}
+exports.reduce = reduce;
+//# sourceMappingURL=shiftX.js.map

package/lib/filters/filter2d/shiftX.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"shiftX.js","sourceRoot":"","sources":["../../../src/filters/filter2d/shiftX.ts"],"names":[],"mappings":";;;AAIa,QAAA,EAAE,GAAG,UAAU,CAAC;AAChB,QAAA,IAAI,GAAG,YAAY,CAAC;AAEjC;;;;GAIG;AAEH,SAAgB,KAAK,CAAC,OAAgB,EAAE,UAAU,GAAG,CAAC;IACpD,MAAM,IAAI,GAAkC,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,CAAC;IAChE,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;QACtB,IAAI,CAAC,GAAG,CAAC,CAAC,IAAI,IAAI,UAAU,CAAC;QAC7B,IAAI,CAAC,GAAG,CAAC,CAAC,IAAI,IAAI,UAAU,CAAC;KAC9B;AACH,CAAC;AAND,sBAMC;AAED,SAAgB,YAAY;IAC1B,OAAO,IAAI,CAAC;AACd,CAAC;AAFD,oCAEC;AAED,SAAgB,MAAM,CAAC,aAAqB,EAAE,QAAgB;IAC5D,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,aAAa,GAAG,QAAQ;KACjC,CAAC;AACJ,CAAC;AALD,wBAKC"}

package/lib/filters/filter2d/shiftY.d.ts

@@ -0,0 +1,14 @@
+import { Entry2D } from '../../xyz/Entry2D';
+export declare const id = "shift2DY";
+export declare const name = "Shift 2D Y";
+/**
+ *
+ * @param {Object} datum2d
+ * @param {number} [shiftValue=0]
+ */
+export declare function apply(datum2D: Entry2D, shiftValue?: number): void;
+export declare function isApplicable(): boolean;
+export declare function reduce(previousValue: number, newValue: number): {
+    once: boolean;
+    reduce: number;
+};

package/lib/filters/filter2d/shiftY.js

@@ -0,0 +1,30 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.reduce = exports.isApplicable = exports.apply = exports.name = exports.id = void 0;
+exports.id = 'shift2DY';
+exports.name = 'Shift 2D Y';
+/**
+ *
+ * @param {Object} datum2d
+ * @param {number} [shiftValue=0]
+ */
+function apply(datum2D, shiftValue = 0) {
+    const data = { ...datum2D.data };
+    for (const key in data) {
+        data[key].minY += shiftValue;
+        data[key].maxY += shiftValue;
+    }
+}
+exports.apply = apply;
+function isApplicable() {
+    return true;
+}
+exports.isApplicable = isApplicable;
+function reduce(previousValue, newValue) {
+    return {
+        once: true,
+        reduce: previousValue + newValue,
+    };
+}
+exports.reduce = reduce;
+//# sourceMappingURL=shiftY.js.map

package/lib/filters/filter2d/shiftY.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"shiftY.js","sourceRoot":"","sources":["../../../src/filters/filter2d/shiftY.ts"],"names":[],"mappings":";;;AAIa,QAAA,EAAE,GAAG,UAAU,CAAC;AAChB,QAAA,IAAI,GAAG,YAAY,CAAC;AACjC;;;;GAIG;AACH,SAAgB,KAAK,CAAC,OAAgB,EAAE,UAAU,GAAG,CAAC;IACpD,MAAM,IAAI,GAAkC,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,CAAC;IAChE,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;QACtB,IAAI,CAAC,GAAG,CAAC,CAAC,IAAI,IAAI,UAAU,CAAC;QAC7B,IAAI,CAAC,GAAG,CAAC,CAAC,IAAI,IAAI,UAAU,CAAC;KAC9B;AACH,CAAC;AAND,sBAMC;AAED,SAAgB,YAAY;IAC1B,OAAO,IAAI,CAAC;AACd,CAAC;AAFD,oCAEC;AAED,SAAgB,MAAM,CAAC,aAAqB,EAAE,QAAgB;IAC5D,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,aAAa,GAAG,QAAQ;KACjC,CAAC;AACJ,CAAC;AALD,wBAKC"}

package/lib/index.d.ts

@@ -32,6 +32,7 @@ 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';
@@ -44,6 +45,7 @@ export * from './multiplicity/splitPatterns';
 export * from './multiplicity/checkMultiplet';
 export * from './multiplicity/checkMultiplicity';
 export * from './multiplicity/translateMultiplet';
+export * from './filters/FiltersManager';
 export type { NMRSignal1D } from './signals/NMRSignal1D';
 export type { NMRSignal2D, Signal2DProjection } from './xyz/NMRSignal2D';
 export type { NMRRange } from './xy/NMRRange';

package/lib/index.js

@@ -48,6 +48,7 @@ __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 +61,5 @@ __exportStar(require("./multiplicity/splitPatterns"), exports);
 __exportStar(require("./multiplicity/checkMultiplet"), exports);
 __exportStar(require("./multiplicity/checkMultiplicity"), exports);
 __exportStar(require("./multiplicity/translateMultiplet"), exports);
+__exportStar(require("./filters/FiltersManager"), exports);
 //# sourceMappingURL=index.js.map

package/lib/index.js.map

@@ -1 +1 @@
-{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;AAAA,qDAAmC;AACnC,yDAAuC;AACvC,+DAA6C;AAE7C,gEAA8C;AAC9C,oDAAkC;AAClC,mDAAiC;AAEjC,6DAA2C;AAC3C,6DAA2C;AAC3C,2DAAyC;AACzC,2DAAyC;AACzC,2DAAyC;AACzC,0DAAwC;AACxC,iEAA+C;AAE/C,gEAA8C;AAC9C,iEAA+C;AAC/C,8DAA4C;AAE5C,uDAAqC;AACrC,sDAAoC;AAEpC,4DAA0C;AAC1C,wDAAsC;AACtC,yDAAuC;AACvC,4DAA0C;AAC1C,yDAAuC;AACvC,+DAA6C;AAE7C,wDAAsC;AACtC,8DAA4C;AAC5C,2DAAyC;AACzC,+DAA6C;AAE7C,0DAAwC;AACxC,2DAAyC;AACzC,2DAAyC;AAEzC,4DAA0C;AAC1C,8DAA4C;AAC5C,wDAAsC;AAEtC,0DAAwC;AACxC,+DAA6C;AAC7C,+DAA6C;AAE7C,6DAA2C;AAC3C,6DAA2C;AAE3C,4DAA0C;AAE1C,mEAAiD;AAEjD,+DAA6C;AAC7C,+DAA6C;AAC7C,gEAA8C;AAC9C,mEAAiD;AACjD,oEAAkD"}
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;AAAA,qDAAmC;AACnC,yDAAuC;AACvC,+DAA6C;AAE7C,gEAA8C;AAC9C,oDAAkC;AAClC,mDAAiC;AAEjC,6DAA2C;AAC3C,6DAA2C;AAC3C,2DAAyC;AACzC,2DAAyC;AACzC,2DAAyC;AACzC,0DAAwC;AACxC,iEAA+C;AAE/C,gEAA8C;AAC9C,iEAA+C;AAC/C,8DAA4C;AAE5C,uDAAqC;AACrC,sDAAoC;AAEpC,4DAA0C;AAC1C,wDAAsC;AACtC,yDAAuC;AACvC,4DAA0C;AAC1C,yDAAuC;AACvC,+DAA6C;AAE7C,wDAAsC;AACtC,8DAA4C;AAC5C,2DAAyC;AACzC,+DAA6C;AAE7C,0DAAwC;AACxC,2DAAyC;AACzC,2DAAyC;AAEzC,4DAA0C;AAC1C,8DAA4C;AAC5C,wDAAsC;AACtC,4DAA0C;AAE1C,0DAAwC;AACxC,+DAA6C;AAC7C,+DAA6C;AAE7C,6DAA2C;AAC3C,6DAA2C;AAE3C,4DAA0C;AAE1C,mEAAiD;AAEjD,+DAA6C;AAC7C,+DAA6C;AAC7C,gEAA8C;AAC9C,mEAAiD;AACjD,oEAAkD;AAElD,2DAAyC"}

package/lib/signals/signalsToFID.d.ts

@@ -39,4 +39,7 @@ export interface SignalsToFIDOptions {
 export declare function signalsToFID(signals: NMRSignal1D[], options: SignalsToFIDOptions): {
     re: import("cheminfo-types").DoubleArray;
     im: import("cheminfo-types").DoubleArray;
+} | {
+    re: import("cheminfo-types").DoubleArray;
+    im: import("cheminfo-types").DoubleArray;
 };

package/lib/utilities/checkData2DFid.d.ts

@@ -0,0 +1,3 @@
+import { Data2D, Data2DFid } from 'cheminfo-types';
+export type Data2DFidComplete = Required<Data2DFid>;
+export declare function checkData2DFid(data: Data2D): asserts data is Data2DFidComplete;

package/lib/utilities/checkData2DFid.js

@@ -0,0 +1,10 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.checkData2DFid = void 0;
+function checkData2DFid(data) {
+    if (!('re' in data && 'im' in data)) {
+        throw new Error('imaginary (im) data should exists');
+    }
+}
+exports.checkData2DFid = checkData2DFid;
+//# sourceMappingURL=checkData2DFid.js.map

package/lib/utilities/checkData2DFid.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"checkData2DFid.js","sourceRoot":"","sources":["../../src/utilities/checkData2DFid.ts"],"names":[],"mappings":";;;AAGA,SAAgB,cAAc,CAC5B,IAAY;IAEZ,IAAI,CAAC,CAAC,IAAI,IAAI,IAAI,IAAI,IAAI,IAAI,IAAI,CAAC,EAAE;QACnC,MAAM,IAAI,KAAK,CAAC,mCAAmC,CAAC,CAAC;KACtD;AACH,CAAC;AAND,wCAMC"}

package/lib/utilities/cloneData1D.d.ts

@@ -0,0 +1,6 @@
+import { Data1D } from '../filters/Data1D';
+export declare function cloneData1D(datum: Data1D): {
+    x: number[] | Float64Array;
+    re: number[] | Float64Array;
+    im: number[] | Float64Array;
+};

package/lib/utilities/cloneData1D.js

@@ -0,0 +1,9 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.cloneData1D = void 0;
+function cloneData1D(datum) {
+    const { x, re, im } = datum || { x: [], re: [], im: [] };
+    return { x: x.slice(), re: re.slice(), im: (im === null || im === void 0 ? void 0 : im.slice()) || null };
+}
+exports.cloneData1D = cloneData1D;
+//# sourceMappingURL=cloneData1D.js.map

package/lib/utilities/cloneData1D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"cloneData1D.js","sourceRoot":"","sources":["../../src/utilities/cloneData1D.ts"],"names":[],"mappings":";;;AAEA,SAAgB,WAAW,CAAC,KAAa;IACvC,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,KAAK,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC;IACzD,OAAO,EAAE,CAAC,EAAE,CAAC,CAAC,KAAK,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,KAAK,EAAE,EAAE,EAAE,EAAE,CAAA,EAAE,aAAF,EAAE,uBAAF,EAAE,CAAE,KAAK,EAAE,KAAI,IAAI,EAAE,CAAC;AACnE,CAAC;AAHD,kCAGC"}

package/lib/utilities/cloneData2D.d.ts

@@ -0,0 +1,2 @@
+import { Data2D } from 'cheminfo-types';
+export declare function cloneData2D(data: Data2D): any;

package/lib/utilities/cloneData2D.js

@@ -0,0 +1,28 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.cloneData2D = void 0;
+function cloneData2D(data) {
+    const newData = {};
+    if (isData2DFt(data)) {
+        for (const key in data) {
+            addCloneData(newData, key, data[key]);
+        }
+    }
+    else {
+        for (const key in data) {
+            addCloneData(newData, key, data[key]);
+        }
+    }
+    return newData;
+}
+exports.cloneData2D = cloneData2D;
+function isData2DFt(data) {
+    return 're' in data;
+}
+function addCloneData(newData, key, data) {
+    if (data) {
+        const { z, ...other } = data;
+        newData[key] = { z: z.slice(), ...other };
+    }
+}
+//# sourceMappingURL=cloneData2D.js.map

package/lib/utilities/cloneData2D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"cloneData2D.js","sourceRoot":"","sources":["../../src/utilities/cloneData2D.ts"],"names":[],"mappings":";;;AAEA,SAAgB,WAAW,CAAC,IAAY;IACtC,MAAM,OAAO,GAAQ,EAAE,CAAC;IAExB,IAAI,UAAU,CAAC,IAAI,CAAC,EAAE;QACpB,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;YACtB,YAAY,CAAC,OAAO,EAAE,GAAG,EAAE,IAAI,CAAC,GAAqB,CAAC,CAAC,CAAC;SACzD;KACF;SAAM;QACL,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;YACtB,YAAY,CAAC,OAAO,EAAE,GAAG,EAAE,IAAI,CAAC,GAAsB,CAAC,CAAC,CAAC;SAC1D;KACF;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAbD,kCAaC;AAED,SAAS,UAAU,CAAC,IAAY;IAC9B,OAAO,IAAI,IAAI,IAAI,CAAC;AACtB,CAAC;AAED,SAAS,YAAY,CAAC,OAAY,EAAE,GAAW,EAAE,IAAoB;IACnE,IAAI,IAAI,EAAE;QACR,MAAM,EAAE,CAAC,EAAE,GAAG,KAAK,EAAE,GAAG,IAAI,CAAC;QAC7B,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,CAAC,EAAE,CAAC,CAAC,KAAK,EAAE,EAAE,GAAG,KAAK,EAAE,CAAC;KAC3C;AACH,CAAC"}

package/lib/xyz/Entry2D.d.ts

@@ -0,0 +1,10 @@
+import { Data2D } from 'cheminfo-types';
+import { Filter } from '../filters/FiltersManager';
+export interface Entry2D {
+    id?: string;
+    info: Record<string, any>;
+    originalInfo?: Record<string, any>;
+    data: Data2D;
+    originalData?: Data2D;
+    filters: Array<Filter>;
+}

package/lib/xyz/Entry2D.js

@@ -0,0 +1,3 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+//# sourceMappingURL=Entry2D.js.map

package/lib/xyz/Entry2D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"Entry2D.js","sourceRoot":"","sources":["../../src/xyz/Entry2D.ts"],"names":[],"mappings":""}

package/lib/xyz/quadrature.d.ts

@@ -0,0 +1,7 @@
+import { Data2D, DoubleArray } from 'cheminfo-types';
+export declare function quadrature(data: Data2D, options: {
+    fnMode: string;
+}): {
+    re: DoubleArray[];
+    im: DoubleArray[];
+};

package/lib/xyz/quadrature.js

@@ -0,0 +1,54 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.quadrature = void 0;
+const ml_spectra_processing_1 = require("ml-spectra-processing");
+const checkData2DFid_1 = require("../utilities/checkData2DFid");
+function quadrature(data, options) {
+    (0, checkData2DFid_1.checkData2DFid)(data);
+    const { fnMode } = options;
+    switch (fnMode) {
+        case 'ttpi':
+            return ttpiQuadrature(data);
+        case 'states':
+            return shrQuadrature(data);
+        case 'echo':
+            return echoQuadrature(data);
+        default:
+            return {
+                re: data.re.z,
+                im: data.im.z,
+            };
+    }
+}
+exports.quadrature = quadrature;
+function echoQuadrature(data) {
+    const { re: { z: reMatrix }, im: { z: imMatrix }, } = data;
+    const newRe = [];
+    const newIm = [];
+    for (let i = 0; i < reMatrix.length; i += 2) {
+        let reCosine = reMatrix[i];
+        let imCosine = imMatrix[i];
+        let reSine = reMatrix[i + 1];
+        let imSine = imMatrix[i + 1];
+        newRe.push((0, ml_spectra_processing_1.xSubtract)((0, ml_spectra_processing_1.xMultiply)(imSine, -1), imCosine));
+        newRe.push((0, ml_spectra_processing_1.xSubtract)(reSine, reCosine));
+        newIm.push((0, ml_spectra_processing_1.xAdd)(reSine, reCosine));
+        newIm.push((0, ml_spectra_processing_1.xSubtract)(imSine, imCosine));
+    }
+    return { re: newRe, im: newIm };
+}
+function shrQuadrature(data) {
+    const { re, im } = data;
+    return { re: re.z, im: im.z };
+}
+function ttpiQuadrature(data) {
+    const newRe = [];
+    const newIm = [];
+    const { re: { z: reMatrix }, im: { z: imMatrix }, } = data;
+    for (let i = 0; i < reMatrix.length; i++) {
+        newRe.push(i % 2 ? reMatrix[i].slice() : (0, ml_spectra_processing_1.xMultiply)(reMatrix[i], -1));
+        newIm.push(i % 2 ? imMatrix[i].slice() : (0, ml_spectra_processing_1.xMultiply)(imMatrix[i], -1));
+    }
+    return { re: newRe, im: newIm };
+}
+//# sourceMappingURL=quadrature.js.map

package/lib/xyz/quadrature.js.map

@@ -0,0 +1 @@
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package/lib/xyz/util/fft2d/digitalFilter.d.ts

@@ -0,0 +1,7 @@
+import { DataReIm } from 'ml-spectra-processing';
+export declare function digitalFilter(data: DataReIm, options: {
+    digitalFilterValue: number;
+}): {
+    re: Float64Array;
+    im: Float64Array;
+};

package/lib/xyz/util/fft2d/digitalFilter.js

@@ -0,0 +1,20 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.digitalFilter = void 0;
+function digitalFilter(data, options) {
+    let { digitalFilterValue = 0 } = options;
+    let re = new Float64Array(data.re);
+    let im = new Float64Array(data.im);
+    let pointsToShift = Math.floor(digitalFilterValue);
+    const skip = 0;
+    pointsToShift += 0;
+    const newRe = new Float64Array(re.length);
+    const newIm = new Float64Array(im.length);
+    newRe.set(re.slice(pointsToShift));
+    newRe.set(re.slice(skip, pointsToShift), re.length - pointsToShift);
+    newIm.set(im.slice(pointsToShift));
+    newIm.set(im.slice(skip, pointsToShift), im.length - pointsToShift);
+    return { re: newRe, im: newIm };
+}
+exports.digitalFilter = digitalFilter;
+//# sourceMappingURL=digitalFilter.js.map

package/lib/xyz/util/fft2d/digitalFilter.js.map

@@ -0,0 +1 @@
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package/lib/xyz/util/fft2d/fftDirectDimension.d.ts

@@ -0,0 +1,24 @@
+import { DoubleArray } from 'cheminfo-types';
+import Matrix from 'ml-matrix';
+import { ApodizationOptions } from '../../../apodization/apodization';
+import { ZeroFillingOptions } from './zeroFilling';
+interface PhaseCorrection {
+    mode?: string;
+    ph0?: number;
+    ph1?: number;
+}
+export interface DirectDimensionOptions {
+    fnMode?: string;
+    digitalFilterValue?: number;
+    zeroFilling?: ZeroFillingOptions;
+    apodization?: ApodizationOptions;
+    phaseCorrection?: PhaseCorrection;
+}
+export declare function fftDirectDimension(data: {
+    re: DoubleArray[];
+    im: DoubleArray[];
+}, options: DirectDimensionOptions): {
+    re: Matrix;
+    im: Matrix;
+};
+export {};