nmr-processing 9.5.1 → 9.5.2-pre.1686022430

package/lib/datum/data1d/utils/getSpectrumErrorValue.js

@@ -0,0 +1,9 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.getSpectrumErrorValue = void 0;
+function getSpectrumErrorValue(spectrum) {
+    const { x } = spectrum.data;
+    return (x[x.length - 1] - x[0]) / 10000;
+}
+exports.getSpectrumErrorValue = getSpectrumErrorValue;
+//# sourceMappingURL=getSpectrumErrorValue.js.map

package/lib/datum/data1d/utils/getSpectrumErrorValue.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"getSpectrumErrorValue.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/getSpectrumErrorValue.ts"],"names":[],"mappings":";;;AAEA,SAAgB,qBAAqB,CAAC,QAAiB;IACrD,MAAM,EAAE,CAAC,EAAE,GAAG,QAAQ,CAAC,IAAI,CAAC;IAC5B,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC;AAC1C,CAAC;AAHD,sDAGC"}

package/lib/datum/data1d/utils/mapIntegrals.d.ts

@@ -0,0 +1,13 @@
+import { Integral } from '../../../types/Integral';
+import { ShiftTarget } from '../../../types/common/MapOptions';
+import { Entry1D } from '../Entry1D';
+export declare function mapIntegrals(integrals: Integral[], spectrum: Entry1D, shiftTarget?: ShiftTarget): {
+    absolute: number;
+    originFrom: number;
+    originTo: number;
+    from: number;
+    to: number;
+    id: string;
+    integral?: number | undefined;
+    kind: string;
+}[];

package/lib/datum/data1d/utils/mapIntegrals.js

@@ -0,0 +1,41 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.mapIntegrals = void 0;
+const uuid_1 = require("@lukeed/uuid");
+const ml_spectra_processing_1 = require("ml-spectra-processing");
+const getShiftX_1 = require("./getShiftX");
+function getRange(integral, shiftTarget, shift) {
+    const { originFrom, originTo, from, to } = integral;
+    if (shiftTarget === 'origin') {
+        return {
+            originFrom: from - shift,
+            originTo: to - shift,
+            from,
+            to,
+        };
+    }
+    else {
+        return {
+            originFrom,
+            originTo,
+            from: originFrom + shift,
+            to: originTo + shift,
+        };
+    }
+}
+function mapIntegrals(integrals, spectrum, shiftTarget = 'origin') {
+    const { x, re } = spectrum.data;
+    const shiftX = (0, getShiftX_1.getShiftX)(spectrum);
+    return integrals.map((integral) => {
+        const integralBoundary = getRange(integral, shiftTarget, shiftX);
+        const absolute = (0, ml_spectra_processing_1.xyIntegration)({ x, y: re }, { from: integralBoundary.from, to: integralBoundary.to, reverse: true });
+        return {
+            ...integral,
+            id: integral.id || (0, uuid_1.v4)(),
+            ...integralBoundary,
+            absolute,
+        };
+    });
+}
+exports.mapIntegrals = mapIntegrals;
+//# sourceMappingURL=mapIntegrals.js.map

package/lib/datum/data1d/utils/mapIntegrals.js.map

@@ -0,0 +1 @@
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package/lib/datum/data1d/utils/mapPeaks.d.ts

@@ -0,0 +1,4 @@
+import { Peak1D } from '../../../types/Peaks/Peak1D';
+import { MapOptions } from '../../../types/common/MapOptions';
+import { Entry1D } from '../Entry1D';
+export declare function mapPeaks(peaks: Peak1D[], spectrum: Entry1D, options?: MapOptions): Peak1D[];

package/lib/datum/data1d/utils/mapPeaks.js

@@ -0,0 +1,50 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.mapPeaks = void 0;
+const uuid_1 = require("@lukeed/uuid");
+const getShiftX_1 = require("./getShiftX");
+const getSpectrumErrorValue_1 = require("./getSpectrumErrorValue");
+function isExists(peak, spectrum, error) {
+    // check if the Peak is already exists
+    for (const { x } of spectrum.peaks?.values || []) {
+        if (Math.abs(peak.x - x) < error) {
+            return true;
+        }
+    }
+    return false;
+}
+function getPeakDelta(peak, shiftTarget, shift) {
+    const { originalX = 0, x } = peak;
+    if (shiftTarget === 'origin') {
+        return {
+            originalX: x - shift,
+            x,
+        };
+    }
+    else {
+        return {
+            originalX,
+            x: originalX + shift,
+        };
+    }
+}
+function mapPeaks(peaks, spectrum, options = {}) {
+    const { checkIsExisting = true, shiftTarget = 'origin' } = options;
+    const shiftX = (0, getShiftX_1.getShiftX)(spectrum);
+    const error = (0, getSpectrumErrorValue_1.getSpectrumErrorValue)(spectrum);
+    let newPeaks = [];
+    for (const peak of peaks) {
+        const peakDelta = getPeakDelta(peak, shiftTarget, shiftX);
+        if (!checkIsExisting ||
+            (checkIsExisting && !isExists(peak, spectrum, error))) {
+            newPeaks.push({
+                ...peak,
+                id: peak?.id || (0, uuid_1.v4)(),
+                ...peakDelta,
+            });
+        }
+    }
+    return newPeaks;
+}
+exports.mapPeaks = mapPeaks;
+//# sourceMappingURL=mapPeaks.js.map

package/lib/datum/data1d/utils/mapPeaks.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"mapPeaks.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/mapPeaks.ts"],"names":[],"mappings":";;;AAAA,uCAAkC;AAMlC,2CAAwC;AACxC,mEAAgE;AAEhE,SAAS,QAAQ,CAAC,IAAY,EAAE,QAAiB,EAAE,KAAa;IAC9D,sCAAsC;IACtC,KAAK,MAAM,EAAE,CAAC,EAAE,IAAI,QAAQ,CAAC,KAAK,EAAE,MAAM,IAAI,EAAE,EAAE;QAChD,IAAI,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,KAAK,EAAE;YAChC,OAAO,IAAI,CAAC;SACb;KACF;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED,SAAS,YAAY,CAAC,IAAY,EAAE,WAAwB,EAAE,KAAa;IACzE,MAAM,EAAE,SAAS,GAAG,CAAC,EAAE,CAAC,EAAE,GAAG,IAAI,CAAC;IAClC,IAAI,WAAW,KAAK,QAAQ,EAAE;QAC5B,OAAO;YACL,SAAS,EAAE,CAAC,GAAG,KAAK;YACpB,CAAC;SACF,CAAC;KACH;SAAM;QACL,OAAO;YACL,SAAS;YACT,CAAC,EAAE,SAAS,GAAG,KAAK;SACrB,CAAC;KACH;AACH,CAAC;AAED,SAAgB,QAAQ,CACtB,KAAe,EACf,QAAiB,EACjB,UAAsB,EAAE;IAExB,MAAM,EAAE,eAAe,GAAG,IAAI,EAAE,WAAW,GAAG,QAAQ,EAAE,GAAG,OAAO,CAAC;IACnE,MAAM,MAAM,GAAG,IAAA,qBAAS,EAAC,QAAQ,CAAC,CAAC;IACnC,MAAM,KAAK,GAAG,IAAA,6CAAqB,EAAC,QAAQ,CAAC,CAAC;IAE9C,IAAI,QAAQ,GAAa,EAAE,CAAC;IAE5B,KAAK,MAAM,IAAI,IAAI,KAAK,EAAE;QACxB,MAAM,SAAS,GAAG,YAAY,CAAC,IAAI,EAAE,WAAW,EAAE,MAAM,CAAC,CAAC;QAE1D,IACE,CAAC,eAAe;YAChB,CAAC,eAAe,IAAI,CAAC,QAAQ,CAAC,IAAI,EAAE,QAAQ,EAAE,KAAK,CAAC,CAAC,EACrD;YACA,QAAQ,CAAC,IAAI,CAAC;gBACZ,GAAG,IAAI;gBACP,EAAE,EAAE,IAAI,EAAE,EAAE,IAAI,IAAA,SAAE,GAAE;gBACpB,GAAG,SAAS;aACb,CAAC,CAAC;SACJ;KACF;IAED,OAAO,QAAQ,CAAC;AAClB,CAAC;AA3BD,4BA2BC"}

package/lib/datum/data1d/utils/mapRanges.d.ts

@@ -0,0 +1,38 @@
+import { Range } from '../../../types/Ranges/Ranges';
+import { MapOptions } from '../../../types/common/MapOptions';
+import { Entry1D } from '../Entry1D';
+export declare function mapRanges(ranges: Range[], spectrum: Entry1D, options?: MapOptions): {
+    absolute: number;
+    signals: {
+        originDelta: number | undefined;
+        delta: number;
+        multiplicity: string;
+        js: import("../../..").Jcoupling[];
+        diaIDs?: string[] | undefined;
+        atoms?: number[] | undefined;
+        assignment?: string | undefined;
+        nbAtoms?: number | undefined;
+        integration?: number | undefined;
+        peaks?: import("../../..").NMRPeak1D[] | undefined;
+        statistic?: {
+            mean: number;
+            sd: number;
+            min: number;
+            max: number;
+            nb: number;
+        } | undefined;
+        kind: string;
+        id: string;
+    }[];
+    originFrom: number | undefined;
+    originTo: number | undefined;
+    from: number;
+    to: number;
+    id: string;
+    kind: string;
+    integration: number;
+    nbAtoms?: number | undefined;
+    multiplicity?: string | undefined;
+    diaIDs?: string[] | undefined;
+    pubIntegral?: number | undefined;
+}[];

package/lib/datum/data1d/utils/mapRanges.js

@@ -0,0 +1,83 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.mapRanges = void 0;
+const uuid_1 = require("@lukeed/uuid");
+const ml_spectra_processing_1 = require("ml-spectra-processing");
+const SignalsKinds_1 = require("../../../constants/SignalsKinds");
+const getShiftX_1 = require("./getShiftX");
+const getSpectrumErrorValue_1 = require("./getSpectrumErrorValue");
+function checkRange(range, spectrum, error) {
+    // check if the range is already exists
+    for (const { from, to } of spectrum.ranges?.values || []) {
+        if (Math.abs(range.from - from) < error &&
+            Math.abs(range.to - to) < error) {
+            return true;
+        }
+    }
+}
+function getRange(range, shiftTarget, shift) {
+    const { originFrom, originTo, from, to } = range;
+    if (shiftTarget === 'origin') {
+        return {
+            originFrom: from - shift,
+            originTo: to - shift,
+            from,
+            to,
+        };
+    }
+    else {
+        return {
+            originFrom,
+            originTo,
+            from: (originFrom || 0) + shift,
+            to: (originTo || 0) + shift,
+        };
+    }
+}
+function getSignalDelta(signal, shiftTarget, shift) {
+    const { delta, originDelta } = signal;
+    if (shiftTarget === 'origin') {
+        return {
+            originDelta: delta - shift,
+            delta,
+        };
+    }
+    else {
+        return {
+            originDelta,
+            delta: (originDelta || 0) + shift,
+        };
+    }
+}
+function mapRanges(ranges, spectrum, options = {}) {
+    const { checkIsExisting = true, shiftTarget = 'origin' } = options;
+    const { x, re } = spectrum.data;
+    const shiftX = (0, getShiftX_1.getShiftX)(spectrum);
+    const error = (0, getSpectrumErrorValue_1.getSpectrumErrorValue)(spectrum);
+    if (checkIsExisting) {
+        ranges = ranges.filter((r) => (checkIsExisting && !checkRange(r, spectrum, error)) || r.id === 'new');
+    }
+    return ranges.map((range) => {
+        const rangeBoundary = getRange(range, shiftTarget, shiftX);
+        const absolute = (0, ml_spectra_processing_1.xyIntegration)({ x, y: re }, { from: rangeBoundary.from, to: rangeBoundary.to, reverse: true });
+        const signals = range.signals.map((signal) => {
+            const { kind = null, id, ...resSignal } = signal;
+            return {
+                kind: kind || 'signal',
+                id: id || (0, uuid_1.v4)(),
+                ...resSignal,
+                ...getSignalDelta(signal, shiftTarget, shiftX),
+            };
+        });
+        return {
+            ...range,
+            id: range.id || (0, uuid_1.v4)(),
+            kind: signals?.[0].kind || SignalsKinds_1.DatumKind.signal,
+            ...rangeBoundary,
+            absolute,
+            signals,
+        };
+    });
+}
+exports.mapRanges = mapRanges;
+//# sourceMappingURL=mapRanges.js.map

package/lib/datum/data1d/utils/mapRanges.js.map

@@ -0,0 +1 @@
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package/lib/datum/data1d/utils/mapValues.d.ts

@@ -0,0 +1,26 @@
+import { Integral } from '../../../types/Integral';
+import { Range } from '../../../types/Ranges/Ranges';
+export declare function mapValues<T extends Integral[] | Range[]>(values: T, key: string, factor: number, check: (value: any) => boolean): ({
+    id: string;
+    originFrom: number;
+    originTo: number;
+    from: number;
+    to: number;
+    absolute: number;
+    integral?: number | undefined;
+    kind: string;
+} | {
+    id: string;
+    originFrom?: number | undefined;
+    originTo?: number | undefined;
+    absolute: number;
+    signals: import("../../..").Signal1D[];
+    integration: number;
+    nbAtoms?: number | undefined;
+    kind?: string | undefined;
+    to: number;
+    from: number;
+    multiplicity?: string | undefined;
+    diaIDs?: string[] | undefined;
+    pubIntegral?: number | undefined;
+})[];

package/lib/datum/data1d/utils/mapValues.js

@@ -0,0 +1,15 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.mapValues = void 0;
+function mapValues(values, key, factor, check) {
+    return values.map((value) => {
+        return {
+            ...value,
+            ...(check(value) && {
+                [key]: value.absolute * factor,
+            }),
+        };
+    });
+}
+exports.mapValues = mapValues;
+//# sourceMappingURL=mapValues.js.map

package/lib/datum/data1d/utils/mapValues.js.map

@@ -0,0 +1 @@
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package/lib/datum/data1d/utils/updateIntegrals.d.ts

@@ -0,0 +1,2 @@
+import { Entry1D } from '../Entry1D';
+export declare function updateIntegrals(spectrum: Entry1D): void;

package/lib/datum/data1d/utils/updateIntegrals.js

@@ -0,0 +1,11 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.updateIntegrals = void 0;
+const mapIntegrals_1 = require("./mapIntegrals");
+const updateIntegralsRelativeValues_1 = require("./updateIntegralsRelativeValues");
+function updateIntegrals(spectrum) {
+    spectrum.integrals.values = (0, mapIntegrals_1.mapIntegrals)(spectrum.integrals.values, spectrum, 'current');
+    (0, updateIntegralsRelativeValues_1.updateIntegralsRelativeValues)(spectrum, true);
+}
+exports.updateIntegrals = updateIntegrals;
+//# sourceMappingURL=updateIntegrals.js.map

package/lib/datum/data1d/utils/updateIntegrals.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"updateIntegrals.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateIntegrals.ts"],"names":[],"mappings":";;;AAEA,iDAA8C;AAC9C,mFAAgF;AAEhF,SAAgB,eAAe,CAAC,QAAiB;IAC/C,QAAQ,CAAC,SAAS,CAAC,MAAM,GAAG,IAAA,2BAAY,EACtC,QAAQ,CAAC,SAAS,CAAC,MAAM,EACzB,QAAQ,EACR,SAAS,CACV,CAAC;IACF,IAAA,6DAA6B,EAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;AAChD,CAAC;AAPD,0CAOC"}

package/lib/datum/data1d/utils/updateIntegralsRelativeValues.d.ts

@@ -0,0 +1,2 @@
+import { Entry1D } from '../Entry1D';
+export declare function updateIntegralsRelativeValues(spectrum: Entry1D, forceCalculateIntegral?: boolean): void;

package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js

@@ -0,0 +1,26 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.updateIntegralsRelativeValues = void 0;
+const getSum_1 = require("../../../utilities/getSum");
+const checkIntegralKind_1 = require("./checkIntegralKind");
+const mapValues_1 = require("./mapValues");
+function updateIntegralsRelativeValues(spectrum, forceCalculateIntegral = false) {
+    const { values, options } = spectrum.integrals;
+    const currentSum = (0, getSum_1.getSum)(values, 'absolute', checkIntegralKind_1.checkIntegralKind);
+    let factor = 0;
+    if (options?.sum) {
+        if (options.isSumConstant || forceCalculateIntegral) {
+            factor = currentSum > 0 ? options.sum / currentSum : 0;
+        }
+        else if (values?.[0]) {
+            const item = values[0];
+            factor = (item.integral || options.sum) / item.absolute;
+        }
+    }
+    spectrum.integrals.values = (0, mapValues_1.mapValues)(values, 'integral', factor, checkIntegralKind_1.checkIntegralKind);
+    if (!options.isSumConstant && !forceCalculateIntegral) {
+        options.sum = (0, getSum_1.getSum)(values, 'integral', checkIntegralKind_1.checkIntegralKind);
+    }
+}
+exports.updateIntegralsRelativeValues = updateIntegralsRelativeValues;
+//# sourceMappingURL=updateIntegralsRelativeValues.js.map

package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js.map

@@ -0,0 +1 @@
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package/lib/datum/data1d/utils/updatePeaks.d.ts

@@ -0,0 +1,2 @@
+import { Entry1D } from '../Entry1D';
+export declare function updatePeaks(spectrum: Entry1D): void;

package/lib/datum/data1d/utils/updatePeaks.js

@@ -0,0 +1,12 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.updatePeaks = void 0;
+const mapPeaks_1 = require("./mapPeaks");
+function updatePeaks(spectrum) {
+    spectrum.peaks.values = (0, mapPeaks_1.mapPeaks)(spectrum.peaks.values, spectrum, {
+        checkIsExisting: false,
+        shiftTarget: 'current',
+    });
+}
+exports.updatePeaks = updatePeaks;
+//# sourceMappingURL=updatePeaks.js.map

package/lib/datum/data1d/utils/updatePeaks.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"updatePeaks.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updatePeaks.ts"],"names":[],"mappings":";;;AAEA,yCAAsC;AAEtC,SAAgB,WAAW,CAAC,QAAiB;IAC3C,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/datum/data1d/utils/updateRanges.d.ts

@@ -0,0 +1,2 @@
+import { Entry1D } from '../Entry1D';
+export declare function updateRanges(spectrum: Entry1D): void;

package/lib/datum/data1d/utils/updateRanges.js

@@ -0,0 +1,14 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.updateRanges = void 0;
+const mapRanges_1 = require("./mapRanges");
+const updateRangesRelativeValues_1 = require("./updateRangesRelativeValues");
+function updateRanges(spectrum) {
+    spectrum.ranges.values = (0, mapRanges_1.mapRanges)(spectrum.ranges.values, spectrum, {
+        checkIsExisting: false,
+        shiftTarget: 'current',
+    });
+    (0, updateRangesRelativeValues_1.updateRangesRelativeValues)(spectrum, true);
+}
+exports.updateRanges = updateRanges;
+//# sourceMappingURL=updateRanges.js.map

package/lib/datum/data1d/utils/updateRanges.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"updateRanges.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateRanges.ts"],"names":[],"mappings":";;;AAEA,2CAAwC;AACxC,6EAA0E;AAE1E,SAAgB,YAAY,CAAC,QAAiB;IAC5C,QAAQ,CAAC,MAAM,CAAC,MAAM,GAAG,IAAA,qBAAS,EAAC,QAAQ,CAAC,MAAM,CAAC,MAAM,EAAE,QAAQ,EAAE;QACnE,eAAe,EAAE,KAAK;QACtB,WAAW,EAAE,SAAS;KACvB,CAAC,CAAC;IACH,IAAA,uDAA0B,EAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;AAC7C,CAAC;AAND,oCAMC"}

package/lib/datum/data1d/utils/updateRangesRelativeValues.d.ts

@@ -0,0 +1,2 @@
+import { Entry1D } from '../Entry1D';
+export declare function updateRangesRelativeValues(spectrum: Entry1D, forceCalculateIntegral?: boolean): void;

package/lib/datum/data1d/utils/updateRangesRelativeValues.js

@@ -0,0 +1,26 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.updateRangesRelativeValues = void 0;
+const getSum_1 = require("../../../utilities/getSum");
+const checkRangeKind_1 = require("./checkRangeKind");
+const mapValues_1 = require("./mapValues");
+function updateRangesRelativeValues(spectrum, forceCalculateIntegral = false) {
+    const { values, options } = spectrum.ranges;
+    const currentSum = (0, getSum_1.getSum)(values, 'absolute', checkRangeKind_1.checkRangeKind);
+    let factor = 0;
+    if (options?.sum) {
+        if (options.isSumConstant || forceCalculateIntegral) {
+            factor = currentSum > 0 ? options.sum / currentSum : 0;
+        }
+        else if (values?.[0]) {
+            const item = values[0];
+            factor = (item.integration || options.sum) / item.absolute;
+        }
+    }
+    spectrum.ranges.values = (0, mapValues_1.mapValues)(values, 'integration', factor, checkRangeKind_1.checkRangeKind);
+    if (!options.isSumConstant && !forceCalculateIntegral) {
+        options.sum = (0, getSum_1.getSum)(values, 'integration', checkRangeKind_1.checkRangeKind);
+    }
+}
+exports.updateRangesRelativeValues = updateRangesRelativeValues;
+//# sourceMappingURL=updateRangesRelativeValues.js.map

package/lib/datum/data1d/utils/updateRangesRelativeValues.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"updateRangesRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateRangesRelativeValues.ts"],"names":[],"mappings":";;;AACA,sDAAmD;AAGnD,qDAAkD;AAClD,2CAAwC;AAExC,SAAgB,0BAA0B,CACxC,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE5C,MAAM,UAAU,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,UAAU,EAAE,+BAAc,CAAC,CAAC;IAE9D,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,WAAW,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SAC5D;KACF;IAED,QAAQ,CAAC,MAAM,CAAC,MAAM,GAAG,IAAA,qBAAS,EAChC,MAAM,EACN,aAAa,EACb,MAAM,EACN,+BAAc,CACJ,CAAC;IAEb,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,aAAa,EAAE,+BAAc,CAAC,CAAC;KAC7D;AACH,CAAC;AA5BD,gEA4BC"}

package/lib/datum/data2d/Entry2D.d.ts

@@ -0,0 +1,12 @@
+import { Data2D } from 'cheminfo-types';
+import { Filter } from '../../types/Filter';
+import { Zones } from '../../types/Zones/Zones';
+export interface Entry2D {
+    id?: string;
+    zones: Zones;
+    info: Record<string, any>;
+    originalInfo?: Record<string, any>;
+    data: Data2D;
+    originalData?: Data2D;
+    filters: Array<Filter>;
+}

package/lib/datum/data2d/Entry2D.js

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

package/lib/datum/data2d/Entry2D.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"Entry2D.js","sourceRoot":"","sources":["../../../src/datum/data2d/Entry2D.ts"],"names":[],"mappings":""}

package/lib/datum/data2d/filter2d/shiftX.d.ts

@@ -0,0 +1,16 @@
+import { FilterDomainUpdateRules } from '../../FiltersManager';
+import { Entry2D } from '../Entry2D';
+export declare const id = "shift2DX";
+export declare const name = "Shift 2D X";
+export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
+/**
+ *
+ * @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/datum/data2d/filter2d/shiftX.js

@@ -0,0 +1,34 @@
+"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 = 'shift2DX';
+exports.name = 'Shift 2D X';
+exports.DOMAIN_UPDATE_RULES = {
+    updateXDomain: true,
+    updateYDomain: false,
+};
+/**
+ *
+ * @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/datum/data2d/filter2d/shiftX.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"shiftX.js","sourceRoot":"","sources":["../../../../src/datum/data2d/filter2d/shiftX.ts"],"names":[],"mappings":";;;AAKa,QAAA,EAAE,GAAG,UAAU,CAAC;AAChB,QAAA,IAAI,GAAG,YAAY,CAAC;AAEpB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,KAAK;CACrB,CAAC;AAEF;;;;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/datum/data2d/filter2d/shiftY.d.ts

@@ -0,0 +1,16 @@
+import { FilterDomainUpdateRules } from '../../FiltersManager';
+import { Entry2D } from '../Entry2D';
+export declare const id = "shift2DY";
+export declare const name = "Shift 2D Y";
+export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
+/**
+ *
+ * @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/datum/data2d/filter2d/shiftY.js

@@ -0,0 +1,34 @@
+"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 = 'shift2DY';
+exports.name = 'Shift 2D Y';
+exports.DOMAIN_UPDATE_RULES = {
+    updateXDomain: false,
+    updateYDomain: true,
+};
+/**
+ *
+ * @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/datum/data2d/filter2d/shiftY.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"shiftY.js","sourceRoot":"","sources":["../../../../src/datum/data2d/filter2d/shiftY.ts"],"names":[],"mappings":";;;AAKa,QAAA,EAAE,GAAG,UAAU,CAAC;AAChB,QAAA,IAAI,GAAG,YAAY,CAAC;AAEpB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,IAAI;CACpB,CAAC;AAEF;;;;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/datum/data2d/utils/get2DSpectrumErrorValue.d.ts

@@ -0,0 +1,6 @@
+import { Entry2D } from '../Entry2D';
+export interface Zone2DError {
+    x: number;
+    y: number;
+}
+export declare function get2DSpectrumErrorValue(spectrum: Entry2D): Zone2DError;

package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js

@@ -0,0 +1,14 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.get2DSpectrumErrorValue = void 0;
+function get2DSpectrumErrorValue(spectrum) {
+    const { data, info } = spectrum;
+    const { minX, maxX, minY, maxY } = info.isFid
+        ? data.re
+        : data.rr;
+    const x = Math.abs(maxX - minX) / 10000;
+    const y = Math.abs(maxY - minY) / 10000;
+    return { x, y };
+}
+exports.get2DSpectrumErrorValue = get2DSpectrumErrorValue;
+//# sourceMappingURL=get2DSpectrumErrorValue.js.map

package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"get2DSpectrumErrorValue.js","sourceRoot":"","sources":["../../../../src/datum/data2d/utils/get2DSpectrumErrorValue.ts"],"names":[],"mappings":";;;AASA,SAAgB,uBAAuB,CAAC,QAAiB;IACvD,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,QAAQ,CAAC;IAChC,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,IAAI,CAAC,KAAK;QAC3C,CAAC,CAAE,IAAkB,CAAC,EAAE;QACxB,CAAC,CAAE,IAAiB,CAAC,EAAE,CAAC;IAC1B,MAAM,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,KAAK,CAAC;IACxC,MAAM,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,KAAK,CAAC;IACxC,OAAO,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC;AAClB,CAAC;AARD,0DAQC"}

package/lib/datum/data2d/utils/getShift.d.ts

@@ -0,0 +1,6 @@
+import { Entry2D } from '../Entry2D';
+export interface Shift2D {
+    x: number;
+    y: number;
+}
+export declare function getShift(spectrum: Entry2D): Shift2D;