nmr-processing 9.5.2-pre.1685982544 → 9.5.2-pre.1686240386
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/lib/datum/FiltersManager.js.map +1 -1
- package/lib/datum/data1d/Entry1D.d.ts +3 -3
- package/lib/datum/data1d/filter1d/apodization/apodization.d.ts +3 -3
- package/lib/datum/data1d/filter1d/apodization/apodizationFilter.d.ts +2 -2
- package/lib/datum/data1d/filter1d/digitalFilter.d.ts +2 -2
- package/lib/datum/data1d/filter1d/fft.d.ts +2 -2
- package/lib/datum/data1d/filter1d/fft.js.map +1 -1
- package/lib/datum/data1d/filter1d/phaseCorrection.d.ts +2 -2
- package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.d.ts +2 -2
- package/lib/datum/data1d/filter1d/zeroFilling.d.ts +2 -2
- package/lib/datum/data2d/Entry2D.d.ts +3 -3
- package/lib/datum/data2d/filter2d/shiftX.js.map +1 -1
- package/lib/datum/data2d/filter2d/shiftY.js.map +1 -1
- package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -1
- package/lib/datum/data2d/utils/mapZones.d.ts +2 -0
- package/lib/index.d.ts +4 -2
- package/lib/index.js +1 -0
- package/lib/index.js.map +1 -1
- package/lib/types/Signals/Signal2D.d.ts +1 -0
- package/lib/types/Zones/Zone.d.ts +1 -0
- package/lib/utilities/checkData2DFid.d.ts +3 -3
- package/lib/utilities/checkData2DFid.js.map +1 -1
- package/lib/utilities/cloneData1D.d.ts +2 -2
- package/lib/utilities/cloneData1D.js.map +1 -1
- package/lib/utilities/cloneData2D.d.ts +2 -2
- package/lib/utilities/cloneData2D.js.map +1 -1
- package/lib/xyz/quadrature.d.ts +2 -2
- package/lib/xyz/quadrature.js.map +1 -1
- package/lib/xyz/util/padData.d.ts +2 -2
- package/lib/xyz/util/padData.js.map +1 -1
- package/lib/xyz/xyzAutoSignalsPicking.d.ts +2 -2
- package/lib/xyz/xyzAutoSignalsPicking.js.map +1 -1
- package/lib/xyz/xyzAutoZonesPicking.d.ts +2 -2
- package/lib/xyz/xyzAutoZonesPicking.js.map +1 -1
- package/lib/xyz/xyzBidimensionalFFT.d.ts +2 -2
- package/lib/xyz/xyzBidimensionalFFT.js.map +1 -1
- package/lib-esm/datum/FiltersManager.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
- package/lib-esm/datum/data2d/filter2d/shiftX.js.map +1 -1
- package/lib-esm/datum/data2d/filter2d/shiftY.js.map +1 -1
- package/lib-esm/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -1
- package/lib-esm/index.js +1 -0
- package/lib-esm/index.js.map +1 -1
- package/lib-esm/utilities/checkData2DFid.js.map +1 -1
- package/lib-esm/utilities/cloneData1D.js.map +1 -1
- package/lib-esm/utilities/cloneData2D.js.map +1 -1
- package/lib-esm/xyz/quadrature.js.map +1 -1
- package/lib-esm/xyz/util/padData.js.map +1 -1
- package/lib-esm/xyz/xyzAutoSignalsPicking.js.map +1 -1
- package/lib-esm/xyz/xyzAutoZonesPicking.js.map +1 -1
- package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -1
- package/package.json +2 -2
- package/src/datum/FiltersManager.ts +3 -4
- package/src/datum/data1d/Entry1D.ts +3 -3
- package/src/datum/data1d/filter1d/apodization/apodization.ts +3 -3
- package/src/datum/data1d/filter1d/apodization/apodizationFilter.ts +2 -2
- package/src/datum/data1d/filter1d/digitalFilter.ts +2 -2
- package/src/datum/data1d/filter1d/fft.ts +4 -4
- package/src/datum/data1d/filter1d/phaseCorrection.ts +3 -3
- package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +2 -2
- package/src/datum/data1d/filter1d/zeroFilling.ts +2 -2
- package/src/datum/data2d/Entry2D.ts +3 -3
- package/src/datum/data2d/filter2d/shiftX.ts +2 -2
- package/src/datum/data2d/filter2d/shiftY.ts +2 -2
- package/src/datum/data2d/utils/get2DSpectrumErrorValue.ts +3 -3
- package/src/index.ts +4 -2
- package/src/types/Signals/Signal2D.ts +1 -0
- package/src/types/Zones/Zone.ts +1 -0
- package/src/utilities/checkData2DFid.ts +3 -3
- package/src/utilities/cloneData1D.ts +2 -2
- package/src/utilities/cloneData2D.ts +11 -6
- package/src/xyz/quadrature.ts +2 -2
- package/src/xyz/util/padData.ts +2 -2
- package/src/xyz/xyzAutoSignalsPicking.ts +2 -2
- package/src/xyz/xyzAutoZonesPicking.ts +2 -2
- package/src/xyz/xyzBidimensionalFFT.ts +3 -3
- package/lib/types/Data1D.d.ts +0 -5
- package/lib/types/Data1D.js +0 -3
- package/lib/types/Data1D.js.map +0 -1
- package/lib/types/Data2D.d.ts +0 -5
- package/lib/types/Data2D.js +0 -3
- package/lib/types/Data2D.js.map +0 -1
- package/lib-esm/types/Data1D.js +0 -2
- package/lib-esm/types/Data1D.js.map +0 -1
- package/lib-esm/types/Data2D.js +0 -2
- package/lib-esm/types/Data2D.js.map +0 -1
- package/src/types/Data1D.ts +0 -5
- package/src/types/Data2D.ts +0 -7
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import {
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import { NmrData1D } from 'cheminfo-types';
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import { Filter } from '../../types/Filter';
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import { Info1D } from '../../types/Info/Info1D';
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import { Integrals } from '../../types/Integrals';
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import { Ranges } from '../../types/Ranges/Ranges';
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export interface Entry1D {
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originalData?: NmrData1D;
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type Entry1DApodizationFilter = Partial<Omit<Entry1D, 'info'>> & {
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export declare function apply(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): void;
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export declare function isApplicable(datum1D: Entry1DApodizationFilter): datum1D is Entry1DApodizationFilter & {
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data: Required<NmrData1D>;
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type Entry1DApodizationFilter = Partial<Omit<Entry1D, 'info'>> & {
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export declare function apodizationFilter(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): {
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export declare function apply(spectrum: Entry1DDigitalFilter, options?: any): void;
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export declare function isApplicable(datum1D: Entry1DDigitalFilter): datum1D is Entry1DDigitalFilter & {
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data: Required<NmrData1D>;
|
|
18
18
|
};
|
|
19
19
|
export declare function reduce(): {
|
|
20
20
|
once: boolean;
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { NmrData1D } from 'cheminfo-types';
|
|
2
2
|
import { Info1D } from '../../../types/Info/Info1D';
|
|
3
3
|
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
4
4
|
import { Entry1D } from '../Entry1D';
|
|
@@ -10,7 +10,7 @@ type Entry1DFt = Partial<Omit<Entry1D, 'info'>> & Required<Pick<Entry1D, 'data'
|
|
|
10
10
|
};
|
|
11
11
|
export declare function apply(datum1D: Entry1DFt): void;
|
|
12
12
|
export declare function isApplicable(datum1D: Entry1DFt): datum1D is Entry1DFt & {
|
|
13
|
-
data: Required<
|
|
13
|
+
data: Required<NmrData1D>;
|
|
14
14
|
};
|
|
15
15
|
export declare function reduce(): {
|
|
16
16
|
once: boolean;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"fft.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/fft.ts"],"names":[],"mappings":";;;AAAA,iEAK+B;AAO/B,6EAA0E;AAE7D,QAAA,EAAE,GAAG,KAAK,CAAC;AACX,QAAA,IAAI,GAAG,KAAK,CAAC;AACb,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF,SAAgB,KAAK,CAAC,OAAkB;IACtC,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACpD;IAED,eAAe,CAAC,OAAO,CAAC,CAAC;IAEzB,IAAI,oBAAoB,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAC7C,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,eAAe,IAAI,CAAC,CAAC,IAAI,CAC5C,CAAC;IAEF,MAAM,EACJ,IAAI,EAAE,EAAE,KAAK,EAAE,GAChB,GAAG,OAAO,CAAC;IAEZ,IAAI,KAAK,KAAK,CAAC,EAAE;QACf,cAAc,CAAC,OAAO,EAAE,oBAAoB,CAAC,CAAC;KAC/C;IAED,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;QACxC,IAAA,iDAAuB,EAAC,OAAO,EAAE,oBAAoB,CAAC,CAAC;KACxD;IAED,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,OAAO,CAAC;IAC/B,MAAM,CAAC,MAAM,CACX,IAAI,EACJ,IAAA,+BAAO,EACL;QACE,EAAE,EAAE,IAAI,CAAC,EAAE;QACX,EAAE,EAAE,IAAI,CAAC,EAAE;KACZ,EACD,EAAE,cAAc,EAAE,IAAI,EAAE,CACzB,CACF,CAAC;IAEF,IAAI,oBAAoB,EAAE;QACxB,IAAI,EAAE,aAAa,GAAG,CAAC,EAAE,GAAG,IAAI,CAAC;QACjC,IAAI,GAAG,GAAG,CAAC,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,GAAG,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC;QACpE,MAAM,CAAC,MAAM,CACX,IAAI,EACJ,IAAA,2CAAmB,EAAC,IAAgB,EAAE,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,OAAO,EAAE,IAAI,EAAE,CAAC,CAClE,CAAC;KACH;IAED,OAAO,CAAC,IAAI,CAAC,CAAC,GAAG,aAAa,CAAC,OAAO,CAAC,CAAC;IACxC,OAAO,CAAC,IAAI,GAAG,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC;AAC/D,CAAC;AA9CD,sBA8CC;AAED,SAAgB,YAAY,CAC1B,OAAkB;IAElB,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC;AALD,wBAKC;AAED,SAAS,aAAa,CAAC,OAAkB;IACvC,MAAM,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC;IAC1B,MAAM,aAAa,GAAG,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;IACjD,MAAM,eAAe,GAAG,MAAM,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;IACrD,MAAM,aAAa,GAAG,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;IACjD,MAAM,MAAM,GAAG,eAAe,GAAG,aAAa,CAAC;IAC/C,IAAI,iBAAiB,GAAG,GAAG,GAAG,aAAa,CAAC;IAC5C,IAAI,QAAQ,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IACrC,IAAI,UAAU,GAAG,MAAM,GAAG,iBAAiB,CAAC;IAC5C,IAAI,EAAE,GAAG,aAAa,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IACxC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACzC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;QACjC,KAAK,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC;QACtB,UAAU,IAAI,EAAE,CAAC;KAClB;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED,SAAS,YAAY,CAAC,CAAS;IAC7B,OAAO,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;AACxC,CAAC;AAED,SAAS,cAAc,CACrB,
|
|
1
|
+
{"version":3,"file":"fft.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/fft.ts"],"names":[],"mappings":";;;AAAA,iEAK+B;AAO/B,6EAA0E;AAE7D,QAAA,EAAE,GAAG,KAAK,CAAC;AACX,QAAA,IAAI,GAAG,KAAK,CAAC;AACb,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF,SAAgB,KAAK,CAAC,OAAkB;IACtC,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACpD;IAED,eAAe,CAAC,OAAO,CAAC,CAAC;IAEzB,IAAI,oBAAoB,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAC7C,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,eAAe,IAAI,CAAC,CAAC,IAAI,CAC5C,CAAC;IAEF,MAAM,EACJ,IAAI,EAAE,EAAE,KAAK,EAAE,GAChB,GAAG,OAAO,CAAC;IAEZ,IAAI,KAAK,KAAK,CAAC,EAAE;QACf,cAAc,CAAC,OAAO,EAAE,oBAAoB,CAAC,CAAC;KAC/C;IAED,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;QACxC,IAAA,iDAAuB,EAAC,OAAO,EAAE,oBAAoB,CAAC,CAAC;KACxD;IAED,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,OAAO,CAAC;IAC/B,MAAM,CAAC,MAAM,CACX,IAAI,EACJ,IAAA,+BAAO,EACL;QACE,EAAE,EAAE,IAAI,CAAC,EAAE;QACX,EAAE,EAAE,IAAI,CAAC,EAAE;KACZ,EACD,EAAE,cAAc,EAAE,IAAI,EAAE,CACzB,CACF,CAAC;IAEF,IAAI,oBAAoB,EAAE;QACxB,IAAI,EAAE,aAAa,GAAG,CAAC,EAAE,GAAG,IAAI,CAAC;QACjC,IAAI,GAAG,GAAG,CAAC,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,GAAG,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC;QACpE,MAAM,CAAC,MAAM,CACX,IAAI,EACJ,IAAA,2CAAmB,EAAC,IAAgB,EAAE,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,OAAO,EAAE,IAAI,EAAE,CAAC,CAClE,CAAC;KACH;IAED,OAAO,CAAC,IAAI,CAAC,CAAC,GAAG,aAAa,CAAC,OAAO,CAAC,CAAC;IACxC,OAAO,CAAC,IAAI,GAAG,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC;AAC/D,CAAC;AA9CD,sBA8CC;AAED,SAAgB,YAAY,CAC1B,OAAkB;IAElB,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC;AALD,wBAKC;AAED,SAAS,aAAa,CAAC,OAAkB;IACvC,MAAM,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC;IAC1B,MAAM,aAAa,GAAG,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;IACjD,MAAM,eAAe,GAAG,MAAM,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;IACrD,MAAM,aAAa,GAAG,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;IACjD,MAAM,MAAM,GAAG,eAAe,GAAG,aAAa,CAAC;IAC/C,IAAI,iBAAiB,GAAG,GAAG,GAAG,aAAa,CAAC;IAC5C,IAAI,QAAQ,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IACrC,IAAI,UAAU,GAAG,MAAM,GAAG,iBAAiB,CAAC;IAC5C,IAAI,EAAE,GAAG,aAAa,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IACxC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACzC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;QACjC,KAAK,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC;QACtB,UAAU,IAAI,EAAE,CAAC;KAClB;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED,SAAS,YAAY,CAAC,CAAS;IAC7B,OAAO,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;AACxC,CAAC;AAED,SAAS,cAAc,CACrB,QAA4D,EAC5D,oBAA6B;IAE7B,IAAI,EAAE,aAAa,GAAG,CAAC,EAAE,GACvB,oBAAoB,IAAI,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC;IAC7D,MAAM,IAAI,GAAG,QAAQ,CAAC,IAAI,CAAC;IAC3B,MAAM,QAAQ,GAAG,IAAI,CAAC,EAAE,CAAC,MAAM,CAAC;IAChC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACxC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACxC,MAAM,SAAS,GAAG,IAAA,6BAAK,EACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAChE,CAAC;IACF,MAAM,SAAS,GAAG,IAAA,6BAAK,EACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAChE,CAAC;IACF,KACE,IAAI,CAAC,GAAG,oBAAoB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,aAAa,EAChD,CAAC,GAAG,QAAQ,GAAG,aAAa,EAC5B,CAAC,EAAE,EACH;QACA,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;QACtB,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;KACvB;IAED,MAAM,CAAC,MAAM,CAAC,QAAQ,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,CAAC;IACvD,OAAO,QAAQ,CAAC;AAClB,CAAC;AAED,SAAS,eAAe,CAAC,QAAuC;IAC9D,MAAM,EAAE,IAAI,EAAE,GAAG,QAAQ,CAAC;IAC1B,IAAI,IAAI,CAAC,CAAC,CAAC,MAAM,KAAK,IAAI,CAAC,EAAE,CAAC,MAAM,IAAI,IAAI,CAAC,CAAC,CAAC,MAAM,KAAK,IAAI,CAAC,EAAE,CAAC,MAAM,EAAE;QACxE,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;KACvD;AACH,CAAC"}
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { NmrData1D } from 'cheminfo-types';
|
|
2
2
|
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
3
3
|
import { Entry1D } from '../Entry1D';
|
|
4
4
|
export declare const id = "phaseCorrection";
|
|
@@ -25,7 +25,7 @@ export interface AutoPhaseCorrectionOptions {
|
|
|
25
25
|
reverse?: boolean;
|
|
26
26
|
}
|
|
27
27
|
export declare function isApplicable(spectrum: Entry1D): spectrum is Entry1D & {
|
|
28
|
-
data: Required<
|
|
28
|
+
data: Required<NmrData1D>;
|
|
29
29
|
};
|
|
30
30
|
export declare function reduce(previousValue: PhaseCorrectionParameters, newValue: PhaseCorrectionParameters): {
|
|
31
31
|
once: boolean;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"phaseCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/phaseCorrection.ts"],"names":[],"mappings":";;;AAAA,iEAK+B;AAMlB,QAAA,EAAE,GAAG,iBAAiB,CAAC;AACvB,QAAA,IAAI,GAAG,kBAAkB,CAAC;AAC1B,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,KAAK;CACrB,CAAC;AAOF;;;;;;GAMG;AAEH,SAAgB,KAAK,CAAC,OAAgB,EAAE,UAAe,EAAE;IACvD,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,6CAA6C,CAAC,CAAC;KAChE;IAED,MAAM,EAAE,QAAQ,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IACrC,MAAM,MAAM,GAAG,OAAO,CAAC,OAAO,EAAE,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,UAAE,CAAC,CAAC;IAErE,IAAI,QAAQ,EAAE;QACZ,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;QAChC,OAAO,CAAC,IAAI,CAAC,EAAE,GAAG,IAAA,oCAAY,EAAC,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;QAC3C,OAAO,CAAC,IAAI,CAAC,EAAE,GAAG,IAAI,YAAY,CAAC,CAAC,CAAC,CAAC;QACtC,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,GAAG,MAAM,CAAC,KAAK,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,QAAQ,EAAE,CAAC;SAC9D;KACF;SAAM,IAAI,KAAK,IAAI,OAAO,IAAI,KAAK,IAAI,OAAO,EAAE;QAC/C,IAAI,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,OAAO,CAAC;QAC3B,eAAe,CAAC,OAAO,EAAE,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QACvC,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,GAAG,MAAM,CAAC,KAAK,EAAE,QAAQ,EAAE,CAAC;SAC9C;KACF;SAAM;QACL,IAAI,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC;QAChD,eAAe,CAAC,OAAO,EAAE,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QACvC,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,GAAG,MAAM,CAAC,KAAK,EAAE,QAAQ,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC;SACxD;KACF;AACH,CAAC;AA5BD,sBA4BC;AAED,SAAS,eAAe,CACtB,
|
|
1
|
+
{"version":3,"file":"phaseCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/phaseCorrection.ts"],"names":[],"mappings":";;;AAAA,iEAK+B;AAMlB,QAAA,EAAE,GAAG,iBAAiB,CAAC;AACvB,QAAA,IAAI,GAAG,kBAAkB,CAAC;AAC1B,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,KAAK;CACrB,CAAC;AAOF;;;;;;GAMG;AAEH,SAAgB,KAAK,CAAC,OAAgB,EAAE,UAAe,EAAE;IACvD,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,6CAA6C,CAAC,CAAC;KAChE;IAED,MAAM,EAAE,QAAQ,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IACrC,MAAM,MAAM,GAAG,OAAO,CAAC,OAAO,EAAE,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,UAAE,CAAC,CAAC;IAErE,IAAI,QAAQ,EAAE;QACZ,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;QAChC,OAAO,CAAC,IAAI,CAAC,EAAE,GAAG,IAAA,oCAAY,EAAC,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;QAC3C,OAAO,CAAC,IAAI,CAAC,EAAE,GAAG,IAAI,YAAY,CAAC,CAAC,CAAC,CAAC;QACtC,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,GAAG,MAAM,CAAC,KAAK,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,QAAQ,EAAE,CAAC;SAC9D;KACF;SAAM,IAAI,KAAK,IAAI,OAAO,IAAI,KAAK,IAAI,OAAO,EAAE;QAC/C,IAAI,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,OAAO,CAAC;QAC3B,eAAe,CAAC,OAAO,EAAE,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QACvC,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,GAAG,MAAM,CAAC,KAAK,EAAE,QAAQ,EAAE,CAAC;SAC9C;KACF;SAAM;QACL,IAAI,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC;QAChD,eAAe,CAAC,OAAO,EAAE,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;QACvC,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,GAAG,MAAM,CAAC,KAAK,EAAE,QAAQ,EAAE,GAAG,EAAE,GAAG,EAAE,CAAC;SACxD;KACF;AACH,CAAC;AA5BD,sBA4BC;AAED,SAAS,eAAe,CACtB,QAAiD,EACjD,WAAyC;IAEzC,IAAI,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,WAAW,CAAC;IAC/B,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,CAAC;IACjC,MAAM,MAAM,GAAG,IAAA,2CAAmB,EAChC,EAAE,EAAE,EAAE,EAAE,EAAE,EACV,CAAC,GAAG,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,EACrB,CAAC,GAAG,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,EACrB,EAAE,OAAO,EAAE,IAAI,EAAE,CAClB,CAAC;IACF,QAAQ,CAAC,IAAI,GAAG;QACd,GAAG,QAAQ,CAAC,IAAI;QAChB,GAAG;YACD,EAAE,EAAE,IAAA,sCAAc,EAAC,MAAM,CAAC,EAAE,CAAC;YAC7B,EAAE,EAAE,IAAA,sCAAc,EAAC,MAAM,CAAC,EAAE,CAAC;SAC9B;KACF,CAAC;AACJ,CAAC;AAUD,SAAS,mBAAmB,CAC1B,QAAiB,EACjB,UAAsC,EAAE;IAExC,MAAM,EACJ,UAAU,GAAG,CAAC,EACd,iBAAiB,GAAG,GAAG,EACvB,aAAa,GAAG,IAAI,EACpB,WAAW,GAAG,CAAC,EACf,OAAO,GAAG,IAAI,GACf,GAAG,OAAO,CAAC;IAEZ,OAAO,IAAA,+CAAuB,EAAC,QAAQ,CAAC,IAAW,EAAE;QACnD,UAAU;QACV,iBAAiB;QACjB,aAAa;QACb,WAAW;QACX,OAAO;KACR,CAAC,CAAC;AACL,CAAC;AAED,SAAgB,YAAY,CAC1B,QAAiB;IAEjB,IAAI,QAAQ,CAAC,IAAI,CAAC,SAAS,IAAI,CAAC,QAAQ,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACjE,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM,CACpB,aAAwC,EACxC,QAAmC;IAEnC,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AARD,wBAQC"}
|
|
@@ -1,7 +1,7 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { NmrData1D } from 'cheminfo-types';
|
|
2
2
|
import { Info1D } from '../../../../types/Info/Info1D';
|
|
3
3
|
import { Entry1D } from '../../Entry1D';
|
|
4
4
|
export declare function padDataToNextPowerOfTwo(datum1D: Partial<Omit<Entry1D, 'info'>> & {
|
|
5
|
-
data: Required<
|
|
5
|
+
data: Required<NmrData1D>;
|
|
6
6
|
info: Partial<Info1D>;
|
|
7
7
|
}, digitalFilterApplied: boolean): void;
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { NmrData1D } from 'cheminfo-types';
|
|
2
2
|
import { Info1D } from '../../../types/Info/Info1D';
|
|
3
3
|
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
4
4
|
import { Entry1D } from '../Entry1D';
|
|
@@ -14,7 +14,7 @@ type Entry1DZeroFilling = Partial<Omit<Entry1D, 'info'>> & Required<Pick<Entry1D
|
|
|
14
14
|
};
|
|
15
15
|
export declare function apply(datum1D: Entry1DZeroFilling, options: ZeroFillingOptions): void;
|
|
16
16
|
export declare function isApplicable(datum1D: Entry1DZeroFilling): datum1D is Entry1DZeroFilling & {
|
|
17
|
-
data: Required<
|
|
17
|
+
data: Required<NmrData1D>;
|
|
18
18
|
};
|
|
19
19
|
export declare function reduce(_previousValue: ZeroFillingOptions, newValue: ZeroFillingOptions): {
|
|
20
20
|
once: boolean;
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { NmrData2D } from 'cheminfo-types';
|
|
2
2
|
import { Filter } from '../../types/Filter';
|
|
3
3
|
import { Zones } from '../../types/Zones/Zones';
|
|
4
4
|
export interface Entry2D {
|
|
@@ -6,7 +6,7 @@ export interface Entry2D {
|
|
|
6
6
|
zones: Zones;
|
|
7
7
|
info: Record<string, any>;
|
|
8
8
|
originalInfo?: Record<string, any>;
|
|
9
|
-
data:
|
|
10
|
-
originalData?:
|
|
9
|
+
data: NmrData2D;
|
|
10
|
+
originalData?: NmrData2D;
|
|
11
11
|
filters: Array<Filter>;
|
|
12
12
|
}
|
|
@@ -1 +1 @@
|
|
|
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,
|
|
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,GAAqC,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,CAAC;IACnE,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"}
|
|
@@ -1 +1 @@
|
|
|
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,
|
|
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,GAAqC,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,CAAC;IACnE,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"}
|
|
@@ -1 +1 @@
|
|
|
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,
|
|
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,IAAqB,CAAC,EAAE;QAC3B,CAAC,CAAE,IAAoB,CAAC,EAAE,CAAC;IAC7B,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"}
|
|
@@ -17,11 +17,13 @@ export declare function mapZones(zones: Zone[], datum: Entry2D, options?: MapOpt
|
|
|
17
17
|
x: {
|
|
18
18
|
originDelta: number;
|
|
19
19
|
delta: number;
|
|
20
|
+
nbAtoms?: number | undefined;
|
|
20
21
|
diaIDs?: string[] | undefined;
|
|
21
22
|
};
|
|
22
23
|
y: {
|
|
23
24
|
originDelta: number;
|
|
24
25
|
delta: number;
|
|
26
|
+
nbAtoms?: number | undefined;
|
|
25
27
|
diaIDs?: string[] | undefined;
|
|
26
28
|
};
|
|
27
29
|
sign?: number | undefined;
|
package/lib/index.d.ts
CHANGED
|
@@ -52,12 +52,14 @@ export * from './datum/data1d/utils/getShiftX';
|
|
|
52
52
|
export * from './datum/data1d/utils/getSpectrumErrorValue';
|
|
53
53
|
export * from './datum/data1d/utils/mapPeaks';
|
|
54
54
|
export * from './datum/data1d/utils/mapRanges';
|
|
55
|
+
export * from './datum/data1d/utils/mapIntegrals';
|
|
55
56
|
export * from './datum/data1d/utils/updateRanges';
|
|
56
57
|
export * from './datum/data1d/utils/checkIntegralKind';
|
|
57
58
|
export * from './datum/data1d/utils/updateRangesRelativeValues';
|
|
58
59
|
export * from './datum/data1d/utils/updateIntegralsRelativeValues';
|
|
59
60
|
export * as RangeUtilities from './datum/data1d/utils/RangeUtilities';
|
|
60
61
|
export type { BaseFilter, Filter } from './types/Filter';
|
|
62
|
+
export type { MatrixOptions } from './datum/MatrixOptions';
|
|
61
63
|
export type { NMRSignal1D } from './signals/NMRSignal1D';
|
|
62
64
|
export type { NMRSignal2D, Signal2DProjection } from './xyz/NMRSignal2D';
|
|
63
65
|
export type { Peaks } from './types/Peaks/Peaks';
|
|
@@ -68,12 +70,12 @@ export type { Signal2D } from './types/Signals/Signal2D';
|
|
|
68
70
|
export type { Range, Ranges } from './types/Ranges/Ranges';
|
|
69
71
|
export type { Zone } from './types/Zones/Zone';
|
|
70
72
|
export type { Zones } from './types/Zones/Zones';
|
|
71
|
-
export type { Data1D } from './types/Data1D';
|
|
72
|
-
export type { Data2D } from './types/Data2D';
|
|
73
73
|
export type { Info1D } from './types/Info/Info1D';
|
|
74
74
|
export type { Info2D } from './types/Info/Info2D';
|
|
75
75
|
export type { Integral } from './types/Integral';
|
|
76
76
|
export type { Integrals } from './types/Integrals';
|
|
77
|
+
export type { Nuclei } from 'gyromagnetic-ratio';
|
|
78
|
+
export type { Nucleus } from './types/Nucleus';
|
|
77
79
|
export type { SumOptions } from './types/Options/SumOptions';
|
|
78
80
|
export type { NMRRange } from './xy/NMRRange';
|
|
79
81
|
export type { NMRZone } from './xyz/NMRZone';
|
package/lib/index.js
CHANGED
|
@@ -81,6 +81,7 @@ __exportStar(require("./datum/data1d/utils/getShiftX"), exports);
|
|
|
81
81
|
__exportStar(require("./datum/data1d/utils/getSpectrumErrorValue"), exports);
|
|
82
82
|
__exportStar(require("./datum/data1d/utils/mapPeaks"), exports);
|
|
83
83
|
__exportStar(require("./datum/data1d/utils/mapRanges"), exports);
|
|
84
|
+
__exportStar(require("./datum/data1d/utils/mapIntegrals"), exports);
|
|
84
85
|
__exportStar(require("./datum/data1d/utils/updateRanges"), exports);
|
|
85
86
|
__exportStar(require("./datum/data1d/utils/checkIntegralKind"), exports);
|
|
86
87
|
__exportStar(require("./datum/data1d/utils/updateRangesRelativeValues"), exports);
|
package/lib/index.js.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;;;;AAAA,qDAAmC;AACnC,yDAAuC;AACvC,2DAAyC;AACzC,+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,kDAAgC;AAChC,yEAAyD;AACzD,iEAA+C;AAC/C,6EAA2D;AAC3D,gEAA8C;AAC9C,iEAA+C;AAC/C,oEAAkD;AAClD,yEAAuD;AACvD,kFAAgE;AAChE,qFAAmE;AACnE,sFAAsE"}
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;;;;AAAA,qDAAmC;AACnC,yDAAuC;AACvC,2DAAyC;AACzC,+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,kDAAgC;AAChC,yEAAyD;AACzD,iEAA+C;AAC/C,6EAA2D;AAC3D,gEAA8C;AAC9C,iEAA+C;AAC/C,oEAAkD;AAClD,oEAAkD;AAClD,yEAAuD;AACvD,kFAAgE;AAChE,qFAAmE;AACnE,sFAAsE"}
|
|
@@ -1,3 +1,3 @@
|
|
|
1
|
-
import {
|
|
2
|
-
export type Data2DFidComplete = Required<
|
|
3
|
-
export declare function checkData2DFid(data:
|
|
1
|
+
import { NmrData2D, NmrData2DFid } from 'cheminfo-types';
|
|
2
|
+
export type Data2DFidComplete = Required<NmrData2DFid>;
|
|
3
|
+
export declare function checkData2DFid(data: NmrData2D): asserts data is Data2DFidComplete;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"checkData2DFid.js","sourceRoot":"","sources":["../../src/utilities/checkData2DFid.ts"],"names":[],"mappings":";;;AAGA,SAAgB,cAAc,CAC5B,
|
|
1
|
+
{"version":3,"file":"checkData2DFid.js","sourceRoot":"","sources":["../../src/utilities/checkData2DFid.ts"],"names":[],"mappings":";;;AAGA,SAAgB,cAAc,CAC5B,IAAe;IAEf,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"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
|
-
import {
|
|
2
|
-
export declare function cloneData1D(datum:
|
|
1
|
+
import { NmrData1D } from 'cheminfo-types';
|
|
2
|
+
export declare function cloneData1D(datum: NmrData1D): {
|
|
3
3
|
x: Float64Array;
|
|
4
4
|
re: Float64Array;
|
|
5
5
|
im: Float64Array | null;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"cloneData1D.js","sourceRoot":"","sources":["../../src/utilities/cloneData1D.ts"],"names":[],"mappings":";;;AAEA,SAAgB,WAAW,CAAC,
|
|
1
|
+
{"version":3,"file":"cloneData1D.js","sourceRoot":"","sources":["../../src/utilities/cloneData1D.ts"],"names":[],"mappings":";;;AAEA,SAAgB,WAAW,CAAC,KAAgB;IAC1C,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,EAAE,EAAE,KAAK,EAAE,IAAI,IAAI,EAAE,CAAC;AACnE,CAAC;AAHD,kCAGC"}
|
|
@@ -1,2 +1,2 @@
|
|
|
1
|
-
import {
|
|
2
|
-
export declare function cloneData2D(data:
|
|
1
|
+
import { NmrData2D } from 'cheminfo-types';
|
|
2
|
+
export declare function cloneData2D(data: NmrData2D): any;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"cloneData2D.js","sourceRoot":"","sources":["../../src/utilities/cloneData2D.ts"],"names":[],"mappings":";;;
|
|
1
|
+
{"version":3,"file":"cloneData2D.js","sourceRoot":"","sources":["../../src/utilities/cloneData2D.ts"],"names":[],"mappings":";;;AAOA,SAAgB,WAAW,CAAC,IAAe;IACzC,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,GAAwB,CAAC,CAAC,CAAC;SAC5D;KACF;SAAM;QACL,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;YACtB,YAAY,CAAC,OAAO,EAAE,GAAG,EAAE,IAAI,CAAC,GAAyB,CAAC,CAAC,CAAC;SAC7D;KACF;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAbD,kCAaC;AAED,SAAS,UAAU,CAAC,IAAe;IACjC,OAAO,IAAI,IAAI,IAAI,CAAC;AACtB,CAAC;AAED,SAAS,YAAY,CAAC,OAAY,EAAE,GAAW,EAAE,IAAuB;IACtE,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/quadrature.d.ts
CHANGED
|
@@ -1,5 +1,5 @@
|
|
|
1
|
-
import {
|
|
2
|
-
export declare function quadrature(data:
|
|
1
|
+
import { NmrData2D, DoubleArray } from 'cheminfo-types';
|
|
2
|
+
export declare function quadrature(data: NmrData2D, options: {
|
|
3
3
|
fnMode: string;
|
|
4
4
|
}): {
|
|
5
5
|
re: DoubleArray[];
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"quadrature.js","sourceRoot":"","sources":["../../src/xyz/quadrature.ts"],"names":[],"mappings":";;;AACA,iEAAmE;AAEnE,gEAAgF;AAEhF,SAAgB,UAAU,CAAC,
|
|
1
|
+
{"version":3,"file":"quadrature.js","sourceRoot":"","sources":["../../src/xyz/quadrature.ts"],"names":[],"mappings":";;;AACA,iEAAmE;AAEnE,gEAAgF;AAEhF,SAAgB,UAAU,CAAC,IAAe,EAAE,OAA2B;IACrE,IAAA,+BAAc,EAAC,IAAI,CAAC,CAAC;IAErB,MAAM,EAAE,MAAM,EAAE,GAAG,OAAO,CAAC;IAE3B,QAAQ,MAAM,EAAE;QACd,KAAK,MAAM;YACT,OAAO,cAAc,CAAC,IAAI,CAAC,CAAC;QAC9B,KAAK,QAAQ;YACX,OAAO,aAAa,CAAC,IAAI,CAAC,CAAC;QAC7B,KAAK,MAAM;YACT,OAAO,cAAc,CAAC,IAAI,CAAC,CAAC;QAC9B;YACE,OAAO;gBACL,EAAE,EAAE,IAAI,CAAC,EAAE,CAAC,CAAC;gBACb,EAAE,EAAE,IAAI,CAAC,EAAE,CAAC,CAAC;aACd,CAAC;KACL;AACH,CAAC;AAlBD,gCAkBC;AAED,SAAS,cAAc,CAAC,IAAuB;IAC7C,MAAM,EACJ,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,EACnB,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,GACpB,GAAG,IAAI,CAAC;IAET,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,IAAI,CAAC,EAAE;QAC3C,IAAI,QAAQ,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC3B,IAAI,QAAQ,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC3B,IAAI,MAAM,GAAG,QAAQ,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAC7B,IAAI,MAAM,GAAG,QAAQ,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAE7B,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE,QAAQ,CAAC,CAAC,CAAC;QACvD,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;QACxC,KAAK,CAAC,IAAI,CAAC,IAAA,4BAAI,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;QACnC,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;KACzC;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC;AAED,SAAS,aAAa,CAAC,IAAuB;IAC5C,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,IAAI,CAAC;IACxB,OAAO,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,CAAC;AAChC,CAAC;AAED,SAAS,cAAc,CAAC,IAAuB;IAC7C,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,MAAM,KAAK,GAAkB,EAAE,CAAC;IAEhC,MAAM,EACJ,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,EACnB,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,GACpB,GAAG,IAAI,CAAC;IACT,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACxC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,IAAA,iCAAS,EAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;QACrE,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,IAAA,iCAAS,EAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;KACtE;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
|
-
import {
|
|
2
|
-
export declare function padData(spectraData:
|
|
1
|
+
import { NmrData2DContent } from 'cheminfo-types';
|
|
2
|
+
export declare function padData(spectraData: NmrData2DContent, options: {
|
|
3
3
|
width: number;
|
|
4
4
|
}): {
|
|
5
5
|
z: Float64Array[];
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"padData.js","sourceRoot":"","sources":["../../../src/xyz/util/padData.ts"],"names":[],"mappings":";;;AAEA,SAAgB,OAAO,CACrB,
|
|
1
|
+
{"version":3,"file":"padData.js","sourceRoot":"","sources":["../../../src/xyz/util/padData.ts"],"names":[],"mappings":";;;AAEA,SAAgB,OAAO,CACrB,WAA6B,EAC7B,OAA0B;IAE1B,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,WAAW,CAAC;IAE7C,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,CAAC;IAE5B,IAAI,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IACvC,IAAI,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;IAExC,IAAI,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;IACnD,IAAI,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IAE/C,IAAI,KAAK,GAAG,KAAK,GAAG,YAAY,CAAC;IACjC,IAAI,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,QAAQ,EAAE,CAAC,CAAC,CAAC;IAC1C,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IACvB,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IAEvB,IAAI,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IACxB,IAAI,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IAExB,MAAM,SAAS,GAAmB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC7C,SAAS,CAAC,IAAI,CAAC,IAAI,YAAY,CAAC,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC;KACpD;IACD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,EAAE,CAAC,EAAE,EAAE;QACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;YACjC,SAAS,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC;SACvD;KACF;IAED,OAAO;QACL,GAAG,WAAW;QACd,CAAC,EAAE,SAAS;QACZ,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;KACjC,CAAC;AACJ,CAAC;AAxCD,0BAwCC"}
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { NmrData2DContent } from 'cheminfo-types';
|
|
2
2
|
import * as matrixPeakFinders from 'ml-matrix-peaks-finder';
|
|
3
3
|
import type { Peak2D } from 'ml-matrix-peaks-finder';
|
|
4
4
|
import type { GetKernelOptions } from '../peaks/util/getKernel';
|
|
@@ -60,7 +60,7 @@ export interface XYZAutoSignalsPickingOptions {
|
|
|
60
60
|
kernel?: GetKernelOptions;
|
|
61
61
|
}
|
|
62
62
|
export type NMRSignal2DWithID<T extends Peak2D = Peak2D> = MakeMandatory<NMRSignal2D<T>, 'id'>;
|
|
63
|
-
export declare function xyzAutoSignalsPicking(spectraData:
|
|
63
|
+
export declare function xyzAutoSignalsPicking(spectraData: NmrData2DContent, options: XYZAutoSignalsPickingOptions): NMRSignal2DWithID<matrixPeakFinders.Peak2D & {
|
|
64
64
|
id: string;
|
|
65
65
|
}>[];
|
|
66
66
|
/**
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"xyzAutoSignalsPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoSignalsPicking.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;;;;AAAA,uCAAgD;AAEhD,mEAAqD;AACrD,0EAA4D;AAE5D,gFAAoD;AAEpD,+DAA4D;AAC5D,qEAAkE;AAClE,uDAAoD;AAEpD,2EAA6D;AAI7D,4CAAyC;AAEzC,MAAM,WAAW,GAAG;IAClB,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;CAC5B,CAAC;AA+DF,SAAgB,qBAAqB,CACnC,
|
|
1
|
+
{"version":3,"file":"xyzAutoSignalsPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoSignalsPicking.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;;;;AAAA,uCAAgD;AAEhD,mEAAqD;AACrD,0EAA4D;AAE5D,gFAAoD;AAEpD,+DAA4D;AAC5D,qEAAkE;AAClE,uDAAoD;AAEpD,2EAA6D;AAI7D,4CAAyC;AAEzC,MAAM,WAAW,GAAG;IAClB,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;CAC5B,CAAC;AA+DF,SAAgB,qBAAqB,CACnC,WAA6B,EAC7B,OAAqC;IAErC,IAAI,EACF,SAAS,GAAG,EAAE,EACd,gBAAgB,GAAG,IAAI,EACvB,eAAe,GAAG,GAAG,EACrB,MAAM,GAAG,CAAC,IAAI,EAAE,IAAI,CAAC,EACrB,mBAAmB,EACnB,eAAe,GAAG,KAAK,EACvB,KAAK,GAAG,IAAI,EACZ,gBAAgB,GAAG,IAAI,EACvB,UAAU,GAAG,CAAC,EAAE,EAAE,EAAE,CAAC,EACrB,gBAAgB,GAAG,IAAI,EACvB,MAAM,EAAE,aAAa,GACtB,GAAG,OAAO,CAAC;IAEZ,IACE,CAAC,KAAK,CAAC,OAAO,CAAC,mBAAmB,CAAC;QACnC,CAAC,WAAW,CAAC,MAAM,CAAC,mBAAmB,CAAC,EACxC;QACA,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,eAAe,GAAG,eAAe,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,eAAe,CAAC,CAAC;IAExE,IAAI,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IACvC,IAAI,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;IAExC,IAAI,YAAY,GAAG,SAAS,EAAE;QAC5B,WAAW,GAAG,IAAA,iBAAO,EAAC,WAAW,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,CAAC,CAAC;QACzD,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;QACnC,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;KACrC;IAED,IAAI,YAAY,GAAG,IAAI,YAAY,CAAC,QAAQ,GAAG,YAAY,CAAC,CAAC;IAC7D,IAAI,YAAY,GAAG,IAAI,YAAY,CAAC,QAAQ,GAAG,YAAY,CAAC,CAAC;IAE7D,KAAK,IAAI,WAAW,GAAG,CAAC,EAAE,WAAW,GAAG,YAAY,EAAE,WAAW,EAAE,EAAE;QACnE,IAAI,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,WAAW,CAAC,CAAC;QAC1C,KAAK,IAAI,IAAI,GAAG,CAAC,EAAE,IAAI,GAAG,QAAQ,EAAE,IAAI,EAAE,EAAE;YAC1C,IAAI,KAAK,GAAG,WAAW,GAAG,QAAQ,GAAG,IAAI,CAAC;YAC1C,YAAY,CAAC,KAAK,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC;YAC/C,YAAY,CAAC,KAAK,CAAC,GAAG,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,8CAA8C;SACrF;KACF;IAED,MAAM,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC,IAAA,qBAAS,EAAC,aAAa,CAAC,CAAC,CAAC,CAAC,WAAW,CAAC;IAEtE,IAAI,kBAAkB,GAAG,gBAAgB;QACvC,CAAC,CAAC,WAAW,CAAC,GAAG,CAAC,YAAY,EAAE,MAAM,EAAE;YACpC,IAAI,EAAE,YAAY;YAClB,IAAI,EAAE,QAAQ;SACf,CAAC;QACJ,CAAC,CAAC,WAAW,CAAC,MAAM,CAAC,YAAY,EAAE,MAAM,EAAE;YACvC,IAAI,EAAE,YAAY;YAClB,IAAI,EAAE,QAAQ;SACf,CAAC,CAAC;IAEP,IAAI,QAAQ,GAAG,iBAAiB,CAAC,iBAAiB,CAAC,YAAY,EAAE;QAC/D,YAAY;QACZ,YAAY,EAAE,kBAAkB;QAChC,IAAI,EAAE,YAAY;QAClB,IAAI,EAAE,QAAQ;QACd,OAAO,EAAE,eAAe;KACzB,CAAC,CAAC;IAEH,IAAI,KAAK,EAAE;QACT,sEAAsE;QACtE,QAAQ,GAAG,aAAa,CAAC,KAAK,CAAC,QAAQ,EAAE,gBAAgB,CAAC,CAAC;KAC5D;IAED,IAAI,OAAO,GAAG,eAAe,CAAC,IAAA,6BAAa,EAAC,QAAQ,CAAC,EAAE;QACrD,KAAK,EAAE,YAAY;QACnB,KAAK,EAAE,QAAQ;QACf,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,YAAY;QACZ,YAAY;QACZ,UAAU;QACV,MAAM;QACN,mBAAmB;QACnB,gBAAgB;KACjB,CAAC,CAAC;IAEH,IAAI,eAAe,EAAE;QACnB,OAAO,GAAG,aAAa,CAAC,eAAe,CAAC,OAAO,CAAC,CAAC;KAClD;IAED,OAAO,OAAO,CAAC;AACjB,CAAC;AA7FD,sDA6FC;AAuBD,SAAS,eAAe,CACtB,KAAU,EACV,OAA+B;IAE/B,IAAI,EACF,KAAK,EACL,KAAK,EACL,YAAY,EACZ,YAAY,EACZ,mBAAmB,EACnB,UAAU,EACV,MAAM,EACN,gBAAgB,EAChB,IAAI,EACJ,IAAI,EACJ,IAAI,EACJ,IAAI,GACL,GAAG,OAAO,CAAC;IAEZ,IAAI,CAAC,QAAQ,EAAE,QAAQ,CAAC,GAAG,MAAM,CAAC;IAClC,IAAI,CAAC,UAAU,EAAE,UAAU,CAAC,GAAG,UAAU,CAAC;IAC1C,IAAI,CAAC,iBAAiB,EAAE,iBAAiB,CAAC,GAAG,mBAAmB,CAAC;IAEjE,IAAI,EAAE,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;IACrC,IAAI,EAAE,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;IAErC,IAAI,gBAAgB,EAAE;QACpB,KAAK,GAAG,IAAA,mCAAgB,EAAC,KAAK,EAAE;YAC9B,KAAK;YACL,YAAY;YACZ,YAAY;YACZ,IAAI;YACJ,IAAI;YACJ,IAAI;YACJ,IAAI;SACL,CAAC,CAAC;KACJ;IAED,KAAK,IAAI,CAAC,GAAG,KAAK,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;QAC1C,IAAI,EAAE,CAAC,EAAE,CAAC,EAAE,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;QACxB,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,GAAG,EAAE,GAAG,CAAC,CAAC;QAC3B,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,GAAG,EAAE,GAAG,CAAC,CAAC;QAC3B,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,GAAG,EAAE,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1C,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,GAAG,EAAE,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1C,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,GAAG,EAAE,GAAG,KAAK,CAAC,CAAC,CAA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@@ -1,4 +1,4 @@
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|
|
1
|
-
import {
|
|
1
|
+
import { NmrData2DContent } from 'cheminfo-types';
|
|
2
2
|
import type { GetKernelOptions } from '../peaks/util/getKernel';
|
|
3
3
|
import { MakeMandatory } from '../utilities/MakeMandatory';
|
|
4
4
|
import { NMRZone } from './NMRZone';
|
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@@ -58,4 +58,4 @@ export interface XYZAutoZonesPickingOptions {
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|
58
58
|
kernel?: GetKernelOptions;
|
|
59
59
|
}
|
|
60
60
|
export type NMRZoneWithID = MakeMandatory<NMRZone, 'id'>;
|
|
61
|
-
export declare function xyzAutoZonesPicking(spectraData:
|
|
61
|
+
export declare function xyzAutoZonesPicking(spectraData: NmrData2DContent, options: XYZAutoZonesPickingOptions): NMRZoneWithID[];
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"xyzAutoZonesPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoZonesPicking.ts"],"names":[],"mappings":";;;AAEA,0BAA2C;AAK3C,kDAAgD;AA2DhD,SAAgB,mBAAmB,CACjC,
|
|
1
|
+
{"version":3,"file":"xyzAutoZonesPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoZonesPicking.ts"],"names":[],"mappings":";;;AAEA,0BAA2C;AAK3C,kDAAgD;AA2DhD,SAAgB,mBAAmB,CACjC,WAA6B,EAC7B,OAAmC;IAEnC,MAAM,OAAO,GAAG,IAAA,yBAAqB,EAAC,WAAW,EAAE,OAAO,CAAC,CAAC;IAC5D,OAAO,IAAA,wBAAW,EAAC,OAAO,CAAC,CAAC;AAC9B,CAAC;AAND,kDAMC"}
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@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { NmrData2D, DoubleArray } from 'cheminfo-types';
|
|
2
2
|
import { ApodizationFilterOptions } from '../apodization/apodization';
|
|
3
3
|
import { DirectDimensionOptions } from './util/fft2d/fftDirectDimension';
|
|
4
4
|
import { IndirectDimensionOptions } from './util/fft2d/fftIndirectDimension';
|
|
@@ -17,7 +17,7 @@ interface BidimensionalFFTOptions {
|
|
|
17
17
|
indirect?: IndirectDimensionOptions;
|
|
18
18
|
direct?: DirectDimensionOptions;
|
|
19
19
|
}
|
|
20
|
-
export declare function xyzBidimensionalFFT(data:
|
|
20
|
+
export declare function xyzBidimensionalFFT(data: NmrData2D, options: BidimensionalFFTOptions): {
|
|
21
21
|
re: {
|
|
22
22
|
minX: number;
|
|
23
23
|
maxX: number;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"xyzBidimensionalFFT.js","sourceRoot":"","sources":["../../src/xyz/xyzBidimensionalFFT.ts"],"names":[],"mappings":";;;AAKA,6CAA0C;AAC1C,wEAGyC;AACzC,4EAG2C;AAgB3C,SAAgB,mBAAmB,CACjC,
|
|
1
|
+
{"version":3,"file":"xyzBidimensionalFFT.js","sourceRoot":"","sources":["../../src/xyz/xyzBidimensionalFFT.ts"],"names":[],"mappings":";;;AAKA,6CAA0C;AAC1C,wEAGyC;AACzC,4EAG2C;AAgB3C,SAAgB,mBAAmB,CACjC,IAAe,EACf,OAAgC;IAEhC,eAAe,CAAC,IAAI,CAAC,CAAC;IAEtB,MAAM,EACJ,IAAI,EACJ,MAAM,EACN,kBAAkB,GAAG,CAAC,EACtB,WAAW,EAAE,kBAAkB,GAChC,GAAG,OAAO,CAAC;IAEZ,MAAM,WAAW,GAAG,IAAA,uBAAU,EAAC,IAAI,EAAE,EAAE,MAAM,EAAE,CAAC,CAAC;IAEjD,MAAM,EAAE,EAAE,EAAE,MAAM,EAAE,GAAG,WAAW,CAAC;IACnC,MAAM,MAAM,GAAG,MAAM,CAAC,MAAM,CAAC;IAC7B,MAAM,SAAS,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IACnC,MAAM,EAAE,MAAM,GAAG,EAAE,EAAE,QAAQ,GAAG,EAAE,EAAE,GAAG,OAAO,CAAC;IAE/C,MAAM,EAAE,WAAW,EAAE,aAAa,GAAG,kBAAkB,EAAE,GAAG,MAAM,CAAC;IAEnE,MAAM,EAAE,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,IAAI,EAAE,CAAC;IACrD,MAAM,UAAU,GACd,aAAa,EAAE,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,SAAS,GAAG,QAAQ,CAAC,CAAC,CAAC;IAE9E,MAAM,WAAW,GAAG,IAAA,uCAAkB,EAAC,WAAW,EAAE;QAClD,GAAG,MAAM;QACT,MAAM;QACN,kBAAkB;QAClB,WAAW,EAAE,EAAE,QAAQ,EAAE,UAAU,EAAE;KACtC,CAAC,CAAC;IAEH,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAC/C,MAAM,EAAE,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,IAAI,EAAE,CAAC;IACrD,MAAM,UAAU,GACd,aAAa,EAAE,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,GAAG,QAAQ,CAAC,CAAC,CAAC;IAC3E,MAAM,EAAE,EAAE,EAAE,QAAQ,EAAE,EAAE,EAAE,QAAQ,EAAE,GAAG,IAAA,2CAAoB,EAAC,WAAW,EAAE;QACvE,GAAG,QAAQ;QACX,MAAM;QACN,WAAW,EAAE,EAAE,QAAQ,EAAE,UAAU,EAAE;KACtC,CAAC,CAAC;IAEH,MAAM,QAAQ,GAAG,WAAW,CAAC,IAAI,CAAC,CAAC;IACnC,OAAO;QACL,EAAE,EAAE;YACF,CAAC,EAAE,oBAAoB,CAAC,QAAQ,CAAC;YACjC,IAAI,EAAE,QAAQ,CAAC,GAAG,EAAE;YACpB,IAAI,EAAE,QAAQ,CAAC,GAAG,EAAE;YACpB,GAAG,QAAQ;SACZ;QACD,EAAE,EAAE;YACF,CAAC,EAAE,oBAAoB,CAAC,QAAQ,CAAC;YACjC,IAAI,EAAE,QAAQ,CAAC,GAAG,EAAE;YACpB,IAAI,EAAE,QAAQ,CAAC,GAAG,EAAE;YACpB,GAAG,QAAQ;SACZ;KACF,CAAC;AACJ,CAAC;AA1DD,kDA0DC;AAED,SAAS,eAAe,CAAC,IAAe;IACtC,IAAI,CAAC,CAAC,IAAI,IAAI,IAAI,CAAC,EAAE;QACnB,MAAM,IAAI,KAAK,CAAC,mDAAmD,CAAC,CAAC;KACtE;AACH,CAAC;AAED,SAAS,oBAAoB,CAAC,IAAY;IACxC,MAAM,MAAM,GAAkB,IAAI,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;IACnD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,IAAI,EAAE,CAAC,EAAE,EAAE;QAClC,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;KAC9C;IACD,OAAO,MAAM,CAAC;AAChB,CAAC;AAED,SAAS,WAAW,CAAC,IAAY;IAC/B,MAAM,GAAG,GAAa,EAAE,CAAC;IACzB,MAAM,GAAG,GAAa,EAAE,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,aAAa,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAClD,MAAM,aAAa,GAAG,MAAM,CAAC,UAAU,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC,CAAC;QAC/D,MAAM,eAAe,GAAG,MAAM,CAAC,UAAU,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC;QACnE,MAAM,aAAa,GAAG,MAAM,CAAC,UAAU,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC,CAAC;QAC/D,MAAM,MAAM,GAAG,eAAe,GAAG,aAAa,CAAC;QAC/C,GAAG,CAAC,IAAI,CAAC,MAAM,GAAG,aAAa,GAAG,GAAG,CAAC,CAAC;QACvC,GAAG,CAAC,IAAI,CAAC,MAAM,GAAG,aAAa,GAAG,GAAG,CAAC,CAAC;KACxC;IAED,OAAO;QACL,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;QACZ,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;QACZ,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;QACZ,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;KACb,CAAC;AACJ,CAAC"}
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@@ -1 +1 @@
|
|
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1
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