nmr-processing 9.5.1 → 9.5.2-pre.1685982544
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/apodization/apodization.d.ts +11 -5
- package/lib/apodization/apodization.js +7 -4
- package/lib/apodization/apodization.js.map +1 -1
- package/lib/apodization/applyWindow.js.map +1 -1
- package/lib/apodization/compose.js.map +1 -1
- package/lib/apodization/getFunction.js +3 -0
- package/lib/apodization/getFunction.js.map +1 -1
- package/lib/apodization/shapes/WindowFunctions.d.ts +6 -1
- package/lib/apodization/shapes/sineBell.d.ts +27 -0
- package/lib/apodization/shapes/sineBell.js +17 -0
- package/lib/apodization/shapes/sineBell.js.map +1 -0
- package/lib/apodization/utils/getData.js.map +1 -1
- package/lib/assignment/utils/getAssignment/buildAssignments.js +2 -3
- package/lib/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
- package/lib/constants/SignalsKinds.d.ts +9 -0
- package/lib/constants/SignalsKinds.js +40 -0
- package/lib/constants/SignalsKinds.js.map +1 -0
- package/lib/datum/ExclusionZone.d.ts +5 -0
- package/lib/datum/ExclusionZone.js +3 -0
- package/lib/datum/ExclusionZone.js.map +1 -0
- package/lib/datum/Filters.d.ts +14 -0
- package/lib/datum/Filters.js +55 -0
- package/lib/datum/Filters.js.map +1 -0
- package/lib/datum/FiltersManager.d.ts +31 -0
- package/lib/datum/FiltersManager.js +184 -0
- package/lib/datum/FiltersManager.js.map +1 -0
- package/lib/datum/MatrixFilter.d.ts +39 -0
- package/lib/datum/MatrixFilter.js +3 -0
- package/lib/datum/MatrixFilter.js.map +1 -0
- package/lib/datum/MatrixOptions.d.ts +28 -0
- package/lib/datum/MatrixOptions.js +3 -0
- package/lib/datum/MatrixOptions.js.map +1 -0
- package/lib/datum/data1d/Entry1D.d.ts +17 -0
- package/lib/datum/data1d/Entry1D.js +3 -0
- package/lib/datum/data1d/Entry1D.js.map +1 -0
- package/lib/datum/data1d/filter1d/apodization/apodization.d.ts +25 -0
- package/lib/datum/data1d/filter1d/apodization/apodization.js +36 -0
- package/lib/datum/data1d/filter1d/apodization/apodization.js.map +1 -0
- package/lib/datum/data1d/filter1d/apodization/apodizationFilter.d.ts +14 -0
- package/lib/datum/data1d/filter1d/apodization/apodizationFilter.js +37 -0
- package/lib/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -0
- package/lib/datum/data1d/filter1d/baselineCorrection.d.ts +32 -0
- package/lib/datum/data1d/filter1d/baselineCorrection.js +61 -0
- package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -0
- package/lib/datum/data1d/filter1d/digitalFilter.d.ts +23 -0
- package/lib/datum/data1d/filter1d/digitalFilter.js +54 -0
- package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -0
- package/lib/datum/data1d/filter1d/equallySpaced.d.ts +31 -0
- package/lib/datum/data1d/filter1d/equallySpaced.js +59 -0
- package/lib/datum/data1d/filter1d/equallySpaced.js.map +1 -0
- package/lib/datum/data1d/filter1d/exclusionZones.d.ts +11 -0
- package/lib/datum/data1d/filter1d/exclusionZones.js +35 -0
- package/lib/datum/data1d/filter1d/exclusionZones.js.map +1 -0
- package/lib/datum/data1d/filter1d/fft.d.ts +19 -0
- package/lib/datum/data1d/filter1d/fft.js +93 -0
- package/lib/datum/data1d/filter1d/fft.js.map +1 -0
- package/lib/datum/data1d/filter1d/phaseCorrection.d.ts +33 -0
- package/lib/datum/data1d/filter1d/phaseCorrection.js +83 -0
- package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -0
- package/lib/datum/data1d/filter1d/shiftX.d.ts +22 -0
- package/lib/datum/data1d/filter1d/shiftX.js +33 -0
- package/lib/datum/data1d/filter1d/shiftX.js.map +1 -0
- package/lib/datum/data1d/filter1d/signalProcessing.d.ts +17 -0
- package/lib/datum/data1d/filter1d/signalProcessing.js +87 -0
- package/lib/datum/data1d/filter1d/signalProcessing.js.map +1 -0
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.d.ts +7 -0
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +37 -0
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -0
- package/lib/datum/data1d/filter1d/zeroFilling.d.ts +23 -0
- package/lib/datum/data1d/filter1d/zeroFilling.js +61 -0
- package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -0
- package/lib/datum/data1d/utils/RangeUtilities.d.ts +22 -0
- package/lib/datum/data1d/utils/RangeUtilities.js +83 -0
- package/lib/datum/data1d/utils/RangeUtilities.js.map +1 -0
- package/lib/datum/data1d/utils/checkIntegralKind.d.ts +7 -0
- package/lib/datum/data1d/utils/checkIntegralKind.js +14 -0
- package/lib/datum/data1d/utils/checkIntegralKind.js.map +1 -0
- package/lib/datum/data1d/utils/checkRangeKind.d.ts +2 -0
- package/lib/datum/data1d/utils/checkRangeKind.js +10 -0
- package/lib/datum/data1d/utils/checkRangeKind.js.map +1 -0
- package/lib/datum/data1d/utils/getShiftX.d.ts +2 -0
- package/lib/datum/data1d/utils/getShiftX.js +11 -0
- package/lib/datum/data1d/utils/getShiftX.js.map +1 -0
- package/lib/datum/data1d/utils/getSpectrumErrorValue.d.ts +2 -0
- package/lib/datum/data1d/utils/getSpectrumErrorValue.js +9 -0
- package/lib/datum/data1d/utils/getSpectrumErrorValue.js.map +1 -0
- package/lib/datum/data1d/utils/mapIntegrals.d.ts +13 -0
- package/lib/datum/data1d/utils/mapIntegrals.js +41 -0
- package/lib/datum/data1d/utils/mapIntegrals.js.map +1 -0
- package/lib/datum/data1d/utils/mapPeaks.d.ts +4 -0
- package/lib/datum/data1d/utils/mapPeaks.js +50 -0
- package/lib/datum/data1d/utils/mapPeaks.js.map +1 -0
- package/lib/datum/data1d/utils/mapRanges.d.ts +38 -0
- package/lib/datum/data1d/utils/mapRanges.js +83 -0
- package/lib/datum/data1d/utils/mapRanges.js.map +1 -0
- package/lib/datum/data1d/utils/mapValues.d.ts +26 -0
- package/lib/datum/data1d/utils/mapValues.js +15 -0
- package/lib/datum/data1d/utils/mapValues.js.map +1 -0
- package/lib/datum/data1d/utils/updateIntegrals.d.ts +2 -0
- package/lib/datum/data1d/utils/updateIntegrals.js +11 -0
- package/lib/datum/data1d/utils/updateIntegrals.js.map +1 -0
- package/lib/datum/data1d/utils/updateIntegralsRelativeValues.d.ts +2 -0
- package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js +26 -0
- package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js.map +1 -0
- package/lib/datum/data1d/utils/updatePeaks.d.ts +2 -0
- package/lib/datum/data1d/utils/updatePeaks.js +12 -0
- package/lib/datum/data1d/utils/updatePeaks.js.map +1 -0
- package/lib/datum/data1d/utils/updateRanges.d.ts +2 -0
- package/lib/datum/data1d/utils/updateRanges.js +14 -0
- package/lib/datum/data1d/utils/updateRanges.js.map +1 -0
- package/lib/datum/data1d/utils/updateRangesRelativeValues.d.ts +2 -0
- package/lib/datum/data1d/utils/updateRangesRelativeValues.js +26 -0
- package/lib/datum/data1d/utils/updateRangesRelativeValues.js.map +1 -0
- package/lib/datum/data2d/Entry2D.d.ts +12 -0
- package/lib/datum/data2d/Entry2D.js +3 -0
- package/lib/datum/data2d/Entry2D.js.map +1 -0
- package/lib/datum/data2d/filter2d/shiftX.d.ts +16 -0
- package/lib/datum/data2d/filter2d/shiftX.js +34 -0
- package/lib/datum/data2d/filter2d/shiftX.js.map +1 -0
- package/lib/datum/data2d/filter2d/shiftY.d.ts +16 -0
- package/lib/datum/data2d/filter2d/shiftY.js +34 -0
- package/lib/datum/data2d/filter2d/shiftY.js.map +1 -0
- package/lib/datum/data2d/utils/get2DSpectrumErrorValue.d.ts +6 -0
- package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js +14 -0
- package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -0
- package/lib/datum/data2d/utils/getShift.d.ts +6 -0
- package/lib/datum/data2d/utils/getShift.js +20 -0
- package/lib/datum/data2d/utils/getShift.js.map +1 -0
- package/lib/datum/data2d/utils/isZoneExists.d.ts +4 -0
- package/lib/datum/data2d/utils/isZoneExists.js +20 -0
- package/lib/datum/data2d/utils/isZoneExists.js.map +1 -0
- package/lib/datum/data2d/utils/mapZones.d.ts +34 -0
- package/lib/datum/data2d/utils/mapZones.js +68 -0
- package/lib/datum/data2d/utils/mapZones.js.map +1 -0
- package/lib/datum/data2d/utils/updateZones.d.ts +2 -0
- package/lib/datum/data2d/utils/updateZones.js +12 -0
- package/lib/datum/data2d/utils/updateZones.js.map +1 -0
- package/lib/index.d.ts +29 -0
- package/lib/index.js +26 -0
- package/lib/index.js.map +1 -1
- package/lib/multiplicity/joinPatterns.js +1 -1
- package/lib/multiplicity/joinPatterns.js.map +1 -1
- package/lib/prediction/utils/getPredictions.js +1 -1
- package/lib/prediction/utils/getPredictions.js.map +1 -1
- package/lib/signal/signalJoinCouplings.js +2 -5
- package/lib/signal/signalJoinCouplings.js.map +1 -1
- package/lib/signal/signalMultiplicityPattern.js +1 -1
- package/lib/signal/signalMultiplicityPattern.js.map +1 -1
- package/lib/signals/optimization/getInternalSignals.js +3 -5
- package/lib/signals/optimization/getInternalSignals.js.map +1 -1
- package/lib/signals/signalsJoin.js +4 -8
- package/lib/signals/signalsJoin.js.map +1 -1
- package/lib/signals/signalsToRanges.js.map +1 -1
- package/lib/signals/signalsToXY.js +1 -2
- package/lib/signals/signalsToXY.js.map +1 -1
- package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
- package/lib/signals/utils/jAnalyzer.d.ts +11 -8
- package/lib/signals/utils/jAnalyzer.js.map +1 -1
- package/lib/types/Data1D.d.ts +5 -0
- package/lib/types/Data1D.js +3 -0
- package/lib/types/Data1D.js.map +1 -0
- package/lib/types/Data2D.d.ts +5 -0
- package/{lib-esm/xyz → lib/types}/Data2D.js.map +1 -1
- package/lib/types/Filter.d.ts +11 -0
- package/lib/types/Filter.js +3 -0
- package/lib/types/Filter.js.map +1 -0
- package/lib/types/Info/Info.d.ts +15 -0
- package/lib/types/Info/Info.js +3 -0
- package/lib/types/Info/Info.js.map +1 -0
- package/lib/types/Info/Info1D.d.ts +13 -0
- package/lib/types/Info/Info1D.js +3 -0
- package/lib/types/Info/Info1D.js.map +1 -0
- package/lib/types/Info/Info2D.d.ts +10 -0
- package/lib/types/Info/Info2D.js +3 -0
- package/lib/types/Info/Info2D.js.map +1 -0
- package/lib/types/Integral.d.ts +10 -0
- package/lib/types/Integral.js +3 -0
- package/lib/types/Integral.js.map +1 -0
- package/lib/types/Integrals.d.ts +6 -0
- package/lib/types/Integrals.js +3 -0
- package/lib/types/Integrals.js.map +1 -0
- package/lib/types/Options/SumOptions.d.ts +24 -0
- package/lib/types/Options/SumOptions.js +3 -0
- package/lib/types/Options/SumOptions.js.map +1 -0
- package/lib/types/Peaks/BasePeak.d.ts +3 -0
- package/lib/types/Peaks/BasePeak.js +3 -0
- package/lib/types/Peaks/BasePeak.js.map +1 -0
- package/lib/types/Peaks/Peak1D.d.ts +5 -0
- package/lib/types/Peaks/Peak1D.js +3 -0
- package/lib/types/Peaks/Peak1D.js.map +1 -0
- package/lib/types/Peaks/Peak2D.d.ts +13 -0
- package/lib/types/Peaks/Peak2D.js +3 -0
- package/lib/types/Peaks/Peak2D.js.map +1 -0
- package/lib/types/Peaks/Peaks.d.ts +5 -0
- package/lib/types/Peaks/Peaks.js +3 -0
- package/lib/types/Peaks/Peaks.js.map +1 -0
- package/lib/types/Ranges/Ranges.d.ts +16 -0
- package/lib/types/Ranges/Ranges.js +3 -0
- package/lib/types/Ranges/Ranges.js.map +1 -0
- package/lib/types/Signals/Signal.d.ts +4 -0
- package/lib/types/Signals/Signal.js +3 -0
- package/lib/types/Signals/Signal.js.map +1 -0
- package/lib/types/Signals/Signal1D.d.ts +6 -0
- package/lib/types/Signals/Signal1D.js +3 -0
- package/lib/types/Signals/Signal1D.js.map +1 -0
- package/lib/types/Signals/Signal2D.d.ts +18 -0
- package/lib/types/Signals/Signal2D.js +3 -0
- package/lib/types/Signals/Signal2D.js.map +1 -0
- package/lib/types/Zones/Zone.d.ts +13 -0
- package/lib/types/Zones/Zone.js +3 -0
- package/lib/types/Zones/Zone.js.map +1 -0
- package/lib/types/Zones/Zones.d.ts +5 -0
- package/lib/types/Zones/Zones.js +3 -0
- package/lib/types/Zones/Zones.js.map +1 -0
- package/lib/types/common/MapOptions.d.ts +5 -0
- package/lib/types/common/MapOptions.js +3 -0
- package/lib/types/common/MapOptions.js.map +1 -0
- package/lib/utilities/checkData2DFid.d.ts +3 -0
- package/lib/utilities/checkData2DFid.js +10 -0
- package/lib/utilities/checkData2DFid.js.map +1 -0
- package/lib/utilities/cloneData1D.d.ts +6 -0
- package/lib/utilities/cloneData1D.js +9 -0
- package/lib/utilities/cloneData1D.js.map +1 -0
- package/lib/utilities/cloneData2D.d.ts +2 -0
- package/lib/utilities/cloneData2D.js +28 -0
- package/lib/utilities/cloneData2D.js.map +1 -0
- package/lib/utilities/getSum.d.ts +8 -0
- package/lib/utilities/getSum.js +24 -0
- package/lib/utilities/getSum.js.map +1 -0
- package/lib/xyz/quadrature.d.ts +7 -0
- package/lib/xyz/quadrature.js +54 -0
- package/lib/xyz/quadrature.js.map +1 -0
- package/lib/xyz/util/fft2d/digitalFilter.d.ts +7 -0
- package/lib/xyz/util/fft2d/digitalFilter.js +20 -0
- package/lib/xyz/util/fft2d/digitalFilter.js.map +1 -0
- package/lib/xyz/util/fft2d/fftDirectDimension.d.ts +24 -0
- package/lib/xyz/util/fft2d/fftDirectDimension.js +57 -0
- package/lib/xyz/util/fft2d/fftDirectDimension.js.map +1 -0
- package/lib/xyz/util/fft2d/fftIndirectDimension.d.ts +23 -0
- package/lib/xyz/util/fft2d/fftIndirectDimension.js +71 -0
- package/lib/xyz/util/fft2d/fftIndirectDimension.js.map +1 -0
- package/lib/xyz/util/fft2d/removeDCOffset.d.ts +5 -0
- package/lib/xyz/util/fft2d/removeDCOffset.js +19 -0
- package/lib/xyz/util/fft2d/removeDCOffset.js.map +1 -0
- package/lib/xyz/util/fft2d/zeroFilling.d.ts +10 -0
- package/lib/xyz/util/fft2d/zeroFilling.js +29 -0
- package/lib/xyz/util/fft2d/zeroFilling.js.map +1 -0
- package/lib/xyz/util/padData.d.ts +5 -3
- package/lib/xyz/util/padData.js +7 -7
- 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 -8
- package/lib/xyz/xyzAutoZonesPicking.js.map +1 -1
- package/lib/xyz/xyzBidimensionalFFT.d.ts +40 -0
- package/lib/xyz/xyzBidimensionalFFT.js +79 -0
- package/lib/xyz/xyzBidimensionalFFT.js.map +1 -0
- package/lib/xyz/xyzJResAnalyzer.d.ts +1 -4
- package/lib/xyz/xyzJResAnalyzer.js +34 -26
- package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
- package/lib-esm/apodization/apodization.js +7 -4
- package/lib-esm/apodization/apodization.js.map +1 -1
- package/lib-esm/apodization/applyWindow.js.map +1 -1
- package/lib-esm/apodization/compose.js.map +1 -1
- package/lib-esm/apodization/getFunction.js +3 -0
- package/lib-esm/apodization/getFunction.js.map +1 -1
- package/lib-esm/apodization/shapes/sineBell.js +13 -0
- package/lib-esm/apodization/shapes/sineBell.js.map +1 -0
- package/lib-esm/apodization/utils/getData.js.map +1 -1
- package/lib-esm/assignment/utils/getAssignment/buildAssignments.js +2 -3
- package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
- package/lib-esm/constants/SignalsKinds.js +37 -0
- package/lib-esm/constants/SignalsKinds.js.map +1 -0
- package/lib-esm/datum/ExclusionZone.js +2 -0
- package/lib-esm/datum/ExclusionZone.js.map +1 -0
- package/lib-esm/datum/Filters.js +28 -0
- package/lib-esm/datum/Filters.js.map +1 -0
- package/lib-esm/datum/FiltersManager.js +175 -0
- package/lib-esm/datum/FiltersManager.js.map +1 -0
- package/lib-esm/datum/MatrixFilter.js +2 -0
- package/lib-esm/datum/MatrixFilter.js.map +1 -0
- package/lib-esm/datum/MatrixOptions.js +2 -0
- package/lib-esm/datum/MatrixOptions.js.map +1 -0
- package/lib-esm/datum/data1d/Entry1D.js +2 -0
- package/lib-esm/datum/data1d/Entry1D.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodization.js +30 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodization.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodizationFilter.js +33 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/baselineCorrection.js +52 -0
- package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/digitalFilter.js +48 -0
- package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/equallySpaced.js +53 -0
- package/lib-esm/datum/data1d/filter1d/equallySpaced.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/exclusionZones.js +29 -0
- package/lib-esm/datum/data1d/filter1d/exclusionZones.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/fft.js +87 -0
- package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/phaseCorrection.js +77 -0
- package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/shiftX.js +27 -0
- package/lib-esm/datum/data1d/filter1d/shiftX.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/signalProcessing.js +57 -0
- package/lib-esm/datum/data1d/filter1d/signalProcessing.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +33 -0
- package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/zeroFilling.js +55 -0
- package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -0
- package/lib-esm/datum/data1d/utils/RangeUtilities.js +69 -0
- package/lib-esm/datum/data1d/utils/RangeUtilities.js.map +1 -0
- package/lib-esm/datum/data1d/utils/checkIntegralKind.js +10 -0
- package/lib-esm/datum/data1d/utils/checkIntegralKind.js.map +1 -0
- package/lib-esm/datum/data1d/utils/checkRangeKind.js +6 -0
- package/lib-esm/datum/data1d/utils/checkRangeKind.js.map +1 -0
- package/lib-esm/datum/data1d/utils/getShiftX.js +7 -0
- package/lib-esm/datum/data1d/utils/getShiftX.js.map +1 -0
- package/lib-esm/datum/data1d/utils/getSpectrumErrorValue.js +5 -0
- package/lib-esm/datum/data1d/utils/getSpectrumErrorValue.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapIntegrals.js +37 -0
- package/lib-esm/datum/data1d/utils/mapIntegrals.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapPeaks.js +46 -0
- package/lib-esm/datum/data1d/utils/mapPeaks.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapRanges.js +79 -0
- package/lib-esm/datum/data1d/utils/mapRanges.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapValues.js +11 -0
- package/lib-esm/datum/data1d/utils/mapValues.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateIntegrals.js +7 -0
- package/lib-esm/datum/data1d/utils/updateIntegrals.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateIntegralsRelativeValues.js +22 -0
- package/lib-esm/datum/data1d/utils/updateIntegralsRelativeValues.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updatePeaks.js +8 -0
- package/lib-esm/datum/data1d/utils/updatePeaks.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateRanges.js +10 -0
- package/lib-esm/datum/data1d/utils/updateRanges.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateRangesRelativeValues.js +22 -0
- package/lib-esm/datum/data1d/utils/updateRangesRelativeValues.js.map +1 -0
- package/lib-esm/datum/data2d/Entry2D.js +2 -0
- package/lib-esm/datum/data2d/Entry2D.js.map +1 -0
- package/lib-esm/datum/data2d/filter2d/shiftX.js +28 -0
- package/lib-esm/datum/data2d/filter2d/shiftX.js.map +1 -0
- package/lib-esm/datum/data2d/filter2d/shiftY.js +28 -0
- package/lib-esm/datum/data2d/filter2d/shiftY.js.map +1 -0
- package/lib-esm/datum/data2d/utils/get2DSpectrumErrorValue.js +10 -0
- package/lib-esm/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -0
- package/lib-esm/datum/data2d/utils/getShift.js +16 -0
- package/lib-esm/datum/data2d/utils/getShift.js.map +1 -0
- package/lib-esm/datum/data2d/utils/isZoneExists.js +16 -0
- package/lib-esm/datum/data2d/utils/isZoneExists.js.map +1 -0
- package/lib-esm/datum/data2d/utils/mapZones.js +64 -0
- package/lib-esm/datum/data2d/utils/mapZones.js.map +1 -0
- package/lib-esm/datum/data2d/utils/updateZones.js +8 -0
- package/lib-esm/datum/data2d/utils/updateZones.js.map +1 -0
- package/lib-esm/index.js +13 -0
- package/lib-esm/index.js.map +1 -1
- package/lib-esm/multiplicity/joinPatterns.js +1 -1
- package/lib-esm/multiplicity/joinPatterns.js.map +1 -1
- package/lib-esm/prediction/utils/getPredictions.js +1 -1
- package/lib-esm/prediction/utils/getPredictions.js.map +1 -1
- package/lib-esm/signal/signalJoinCouplings.js +2 -2
- package/lib-esm/signal/signalJoinCouplings.js.map +1 -1
- package/lib-esm/signal/signalMultiplicityPattern.js +1 -1
- package/lib-esm/signal/signalMultiplicityPattern.js.map +1 -1
- package/lib-esm/signals/optimization/getInternalSignals.js +3 -5
- package/lib-esm/signals/optimization/getInternalSignals.js.map +1 -1
- package/lib-esm/signals/signalsJoin.js +4 -5
- package/lib-esm/signals/signalsJoin.js.map +1 -1
- package/lib-esm/signals/signalsToRanges.js.map +1 -1
- package/lib-esm/signals/signalsToXY.js +2 -3
- package/lib-esm/signals/signalsToXY.js.map +1 -1
- package/lib-esm/signals/simulation/simulateXYPeaks.js.map +1 -1
- package/lib-esm/signals/utils/jAnalyzer.js.map +1 -1
- package/lib-esm/types/Data1D.js +2 -0
- package/lib-esm/types/Data1D.js.map +1 -0
- package/{lib/xyz → lib-esm/types}/Data2D.js.map +1 -1
- package/lib-esm/types/Filter.js +2 -0
- package/lib-esm/types/Filter.js.map +1 -0
- package/lib-esm/types/Info/Info.js +2 -0
- package/lib-esm/types/Info/Info.js.map +1 -0
- package/lib-esm/types/Info/Info1D.js +2 -0
- package/lib-esm/types/Info/Info1D.js.map +1 -0
- package/lib-esm/types/Info/Info2D.js +2 -0
- package/lib-esm/types/Info/Info2D.js.map +1 -0
- package/lib-esm/types/Integral.js +2 -0
- package/lib-esm/types/Integral.js.map +1 -0
- package/lib-esm/types/Integrals.js +2 -0
- package/lib-esm/types/Integrals.js.map +1 -0
- package/lib-esm/types/Options/SumOptions.js +2 -0
- package/lib-esm/types/Options/SumOptions.js.map +1 -0
- package/lib-esm/types/Peaks/BasePeak.js +2 -0
- package/lib-esm/types/Peaks/BasePeak.js.map +1 -0
- package/lib-esm/types/Peaks/Peak1D.js +2 -0
- package/lib-esm/types/Peaks/Peak1D.js.map +1 -0
- package/lib-esm/types/Peaks/Peak2D.js +2 -0
- package/lib-esm/types/Peaks/Peak2D.js.map +1 -0
- package/lib-esm/types/Peaks/Peaks.js +2 -0
- package/lib-esm/types/Peaks/Peaks.js.map +1 -0
- package/lib-esm/types/Ranges/Ranges.js +2 -0
- package/lib-esm/types/Ranges/Ranges.js.map +1 -0
- package/lib-esm/types/Signals/Signal.js +2 -0
- package/lib-esm/types/Signals/Signal.js.map +1 -0
- package/lib-esm/types/Signals/Signal1D.js +2 -0
- package/lib-esm/types/Signals/Signal1D.js.map +1 -0
- package/lib-esm/types/Signals/Signal2D.js +2 -0
- package/lib-esm/types/Signals/Signal2D.js.map +1 -0
- package/lib-esm/types/Zones/Zone.js +2 -0
- package/lib-esm/types/Zones/Zone.js.map +1 -0
- package/lib-esm/types/Zones/Zones.js +2 -0
- package/lib-esm/types/Zones/Zones.js.map +1 -0
- package/lib-esm/types/common/MapOptions.js +2 -0
- package/lib-esm/types/common/MapOptions.js.map +1 -0
- package/lib-esm/utilities/checkData2DFid.js +6 -0
- package/lib-esm/utilities/checkData2DFid.js.map +1 -0
- package/lib-esm/utilities/cloneData1D.js +5 -0
- package/lib-esm/utilities/cloneData1D.js.map +1 -0
- package/lib-esm/utilities/cloneData2D.js +24 -0
- package/lib-esm/utilities/cloneData2D.js.map +1 -0
- package/lib-esm/utilities/getSum.js +20 -0
- package/lib-esm/utilities/getSum.js.map +1 -0
- package/lib-esm/xyz/quadrature.js +50 -0
- package/lib-esm/xyz/quadrature.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/digitalFilter.js +16 -0
- package/lib-esm/xyz/util/fft2d/digitalFilter.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/fftDirectDimension.js +50 -0
- package/lib-esm/xyz/util/fft2d/fftDirectDimension.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js +64 -0
- package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/removeDCOffset.js +15 -0
- package/lib-esm/xyz/util/fft2d/removeDCOffset.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/zeroFilling.js +25 -0
- package/lib-esm/xyz/util/fft2d/zeroFilling.js.map +1 -0
- package/lib-esm/xyz/util/padData.js +7 -4
- 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 +75 -0
- package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -0
- package/lib-esm/xyz/xyzJResAnalyzer.js +34 -26
- package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
- package/package.json +8 -5
- package/src/apodization/apodization.ts +19 -6
- package/src/apodization/applyWindow.ts +0 -1
- package/src/apodization/compose.ts +1 -0
- package/src/apodization/getFunction.ts +3 -0
- package/src/apodization/shapes/WindowFunctions.ts +7 -1
- package/src/apodization/shapes/sineBell.ts +41 -0
- package/src/apodization/utils/getData.ts +0 -1
- package/src/constants/SignalsKinds.ts +37 -0
- package/src/datum/ExclusionZone.ts +5 -0
- package/src/datum/Filters.ts +53 -0
- package/src/datum/FiltersManager.ts +229 -0
- package/src/datum/MatrixFilter.ts +58 -0
- package/src/datum/MatrixOptions.ts +25 -0
- package/src/datum/data1d/Entry1D.ts +18 -0
- package/src/datum/data1d/filter1d/apodization/apodization.ts +53 -0
- package/src/datum/data1d/filter1d/apodization/apodizationFilter.ts +54 -0
- package/src/datum/data1d/filter1d/baselineCorrection.ts +83 -0
- package/src/datum/data1d/filter1d/digitalFilter.ts +66 -0
- package/src/datum/data1d/filter1d/equallySpaced.ts +66 -0
- package/src/datum/data1d/filter1d/exclusionZones.ts +34 -0
- package/src/datum/data1d/filter1d/fft.ts +143 -0
- package/src/datum/data1d/filter1d/phaseCorrection.ts +127 -0
- package/src/datum/data1d/filter1d/shiftX.ts +37 -0
- package/src/datum/data1d/filter1d/signalProcessing.ts +79 -0
- package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +49 -0
- package/src/datum/data1d/filter1d/zeroFilling.ts +93 -0
- package/src/datum/data1d/utils/RangeUtilities.ts +102 -0
- package/src/datum/data1d/utils/checkIntegralKind.ts +11 -0
- package/src/datum/data1d/utils/checkRangeKind.ts +8 -0
- package/src/datum/data1d/utils/getShiftX.ts +10 -0
- package/src/datum/data1d/utils/getSpectrumErrorValue.ts +6 -0
- package/src/datum/data1d/utils/mapIntegrals.ts +52 -0
- package/src/datum/data1d/utils/mapPeaks.ts +62 -0
- package/src/datum/data1d/utils/mapRanges.ts +107 -0
- package/src/datum/data1d/utils/mapValues.ts +18 -0
- package/src/datum/data1d/utils/updateIntegrals.ts +13 -0
- package/src/datum/data1d/utils/updateIntegralsRelativeValues.ts +36 -0
- package/src/datum/data1d/utils/updatePeaks.ts +10 -0
- package/src/datum/data1d/utils/updateRanges.ts +12 -0
- package/src/datum/data1d/utils/updateRangesRelativeValues.ts +36 -0
- package/src/datum/data2d/Entry2D.ts +14 -0
- package/src/datum/data2d/filter2d/shiftX.ts +37 -0
- package/src/datum/data2d/filter2d/shiftY.ts +36 -0
- package/src/datum/data2d/utils/get2DSpectrumErrorValue.ts +18 -0
- package/src/datum/data2d/utils/getShift.ts +23 -0
- package/src/datum/data2d/utils/isZoneExists.ts +27 -0
- package/src/datum/data2d/utils/mapZones.ts +80 -0
- package/src/datum/data2d/utils/updateZones.ts +10 -0
- package/src/index.ts +32 -0
- package/src/signal/signalJoinCouplings.ts +2 -2
- package/src/signals/signalsJoin.ts +4 -5
- package/src/signals/signalsToRanges.ts +1 -1
- package/src/signals/signalsToXY.ts +2 -3
- package/src/signals/simulation/simulateXYPeaks.ts +1 -1
- package/src/signals/utils/jAnalyzer.ts +20 -10
- package/src/types/Data1D.ts +5 -0
- package/src/types/Data2D.ts +7 -0
- package/src/types/Filter.ts +12 -0
- package/src/types/Info/Info.ts +15 -0
- package/src/types/Info/Info1D.ts +14 -0
- package/src/types/Info/Info2D.ts +11 -0
- package/src/types/Integral.ts +10 -0
- package/src/types/Integrals.ts +7 -0
- package/src/types/Options/SumOptions.ts +24 -0
- package/src/types/Peaks/BasePeak.ts +3 -0
- package/src/types/Peaks/Peak1D.ts +7 -0
- package/src/types/Peaks/Peak2D.ts +11 -0
- package/src/types/Peaks/Peaks.ts +6 -0
- package/src/types/Ranges/Ranges.ts +18 -0
- package/src/types/Signals/Signal.ts +4 -0
- package/src/types/Signals/Signal1D.ts +8 -0
- package/src/types/Signals/Signal2D.ts +21 -0
- package/src/types/Zones/Zone.ts +15 -0
- package/src/types/Zones/Zones.ts +6 -0
- package/src/types/common/MapOptions.ts +6 -0
- package/src/utilities/checkData2DFid.ts +10 -0
- package/src/utilities/cloneData1D.ts +6 -0
- package/src/utilities/cloneData2D.ts +27 -0
- package/src/utilities/getSum.ts +23 -0
- package/src/xyz/quadrature.ts +68 -0
- package/src/xyz/util/fft2d/digitalFilter.ts +24 -0
- package/src/xyz/util/fft2d/fftDirectDimension.ts +111 -0
- package/src/xyz/util/fft2d/fftIndirectDimension.ts +123 -0
- package/src/xyz/util/fft2d/removeDCOffset.ts +19 -0
- package/src/xyz/util/fft2d/zeroFilling.ts +39 -0
- package/src/xyz/util/padData.ts +13 -7
- package/src/xyz/xyzAutoSignalsPicking.ts +2 -2
- package/src/xyz/xyzAutoZonesPicking.ts +3 -9
- package/src/xyz/xyzBidimensionalFFT.ts +122 -0
- package/src/xyz/xyzJResAnalyzer.ts +51 -42
- package/lib/prediction/utils/flatGroupedDiaIDs.d.ts +0 -2
- package/lib/prediction/utils/flatGroupedDiaIDs.js +0 -14
- package/lib/prediction/utils/flatGroupedDiaIDs.js.map +0 -1
- package/lib/xyz/Data2D.d.ts +0 -7
- package/lib-esm/prediction/utils/flatGroupedDiaIDs.js +0 -10
- package/lib-esm/prediction/utils/flatGroupedDiaIDs.js.map +0 -1
- package/src/assignment/utils/getAssignment/data/correlations.js +0 -713
- package/src/assignment/utils/getAssignment/data/predictions.js +0 -34
- package/src/nmr-parser.d.ts +0 -17
- package/src/prediction/utils/flatGroupedDiaIDs.ts +0 -11
- package/src/xyz/Data2D.ts +0 -7
- /package/lib/{xyz → types}/Data2D.js +0 -0
- /package/lib-esm/{xyz → types}/Data2D.js +0 -0
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+
{"version":3,"file":"mapZones.js","sourceRoot":"","sources":["../../../../src/datum/data2d/utils/mapZones.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,EAAE,MAAM,cAAc,CAAC;AAElC,OAAO,EAAE,SAAS,EAAE,MAAM,iCAAiC,CAAC;AAM5D,OAAO,EAAE,uBAAuB,EAAE,MAAM,2BAA2B,CAAC;AACpE,OAAO,EAAE,QAAQ,EAAW,MAAM,YAAY,CAAC;AAC/C,OAAO,EAAE,YAAY,EAAE,MAAM,gBAAgB,CAAC;AAE9C,SAAS,SAAS,CAAC,MAAgB,EAAE,WAAwB,EAAE,KAAc;IAC3E,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,GAAG,MAAM,CAAC;IAExB,IAAI,WAAW,KAAK,QAAQ,EAAE;QAC5B,OAAO;YACL,GAAG,MAAM;YACT,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,WAAW,EAAE,CAAC,CAAC,KAAK,GAAG,KAAK,CAAC,CAAC;aAC/B;YACD,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,WAAW,EAAE,CAAC,CAAC,KAAK,GAAG,KAAK,CAAC,CAAC;aAC/B;SACF,CAAC;KACH;SAAM;QACL,OAAO;YACL,GAAG,MAAM;YACT,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,KAAK,EAAE,CAAC,CAAC,WAAW,GAAG,KAAK,CAAC,CAAC;aAC/B;YACD,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,KAAK,EAAE,CAAC,CAAC,WAAW,GAAG,KAAK,CAAC,CAAC;aAC/B;SACF,CAAC;KACH;AACH,CAAC;AAED,MAAM,UAAU,QAAQ,CACtB,KAAa,EACb,KAAc,EACd,UAAsB,EAAE;IAExB,MAAM,EAAE,eAAe,GAAG,IAAI,EAAE,WAAW,GAAG,QAAQ,EAAE,GAAG,OAAO,CAAC;IACnE,MAAM,KAAK,GAAG,QAAQ,CAAC,KAAK,CAAC,CAAC;IAC9B,MAAM,KAAK,GAAG,uBAAuB,CAAC,KAAK,CAAC,CAAC;IAE7C,IAAI,MAAM,GAAW,KAAK,CAAC;IAE3B,IAAI,eAAe,EAAE;QACnB,MAAM,GAAG,KAAK,CAAC,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC,YAAY,CAAC,IAAI,EAAE,KAAK,EAAE,KAAK,CAAC,CAAC,CAAC;KACpE;IAED,OAAO,MAAM,CAAC,GAAG,CAAC,CAAC,IAAU,EAAE,EAAE;QAC/B,MAAM,CAAC,GAAG,IAAI,CAAC,CAAC,IAAI,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,CAAC;QACvC,MAAM,CAAC,GAAG,IAAI,CAAC,CAAC,IAAI,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,CAAC;QAEvC,MAAM,OAAO,GAAG,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE;YAC1C,MAAM,EAAE,EAAE,EAAE,IAAI,EAAE,GAAG,MAAM,CAAC;YAC5B,OAAO;gBACL,GAAG,SAAS,CAAC,MAAM,EAAE,WAAW,EAAE,KAAK,CAAC;gBACxC,EAAE,EAAE,EAAE,IAAI,EAAE,EAAE;gBACd,IAAI,EAAE,IAAI,IAAI,QAAQ;aACvB,CAAC;QACJ,CAAC,CAAC,CAAC;QAEH,OAAO;YACL,GAAG,IAAI;YACP,EAAE,EAAE,IAAI,CAAC,EAAE,IAAI,EAAE,EAAE;YACnB,CAAC,EAAE,EAAE,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,EAAE;YAC7B,CAAC,EAAE,EAAE,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,EAAE;YAC7B,OAAO;YACP,IAAI,EAAE,IAAI,CAAC,IAAI,IAAI,SAAS,CAAC,MAAM;SACpC,CAAC;IACJ,CAAC,CAAC,CAAC;AACL,CAAC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"updateZones.js","sourceRoot":"","sources":["../../../../src/datum/data2d/utils/updateZones.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,QAAQ,EAAE,MAAM,YAAY,CAAC;AAEtC,MAAM,UAAU,WAAW,CAAC,QAAiB;IAC3C,QAAQ,CAAC,KAAK,CAAC,MAAM,GAAG,QAAQ,CAAC,QAAQ,CAAC,KAAK,CAAC,MAAM,EAAE,QAAQ,EAAE;QAChE,eAAe,EAAE,KAAK;QACtB,WAAW,EAAE,SAAS;KACvB,CAAC,CAAC;AACL,CAAC"}
|
package/lib-esm/index.js
CHANGED
|
@@ -1,5 +1,6 @@
|
|
|
1
1
|
export * from 'gyromagnetic-ratio';
|
|
2
2
|
export * from './constants/impurities';
|
|
3
|
+
export * from './constants/SignalsKinds';
|
|
3
4
|
export * from './constants/couplingPatterns';
|
|
4
5
|
export * from './peaks/peaksFilterImpurities';
|
|
5
6
|
export * from './peaks/peaksToXY';
|
|
@@ -32,6 +33,7 @@ export * from './xy/xyPeaksOptimization';
|
|
|
32
33
|
export * from './xyz/xyzAutoZonesPicking';
|
|
33
34
|
export * from './xyz/xyzAutoSignalsPicking';
|
|
34
35
|
export * from './xyz/xyzJResAnalyzer';
|
|
36
|
+
export * from './xyz/xyzBidimensionalFFT';
|
|
35
37
|
export * from './databases/getDatabase';
|
|
36
38
|
export * from './databases/carbonImpurities';
|
|
37
39
|
export * from './databases/protonImpurities';
|
|
@@ -44,4 +46,15 @@ export * from './multiplicity/splitPatterns';
|
|
|
44
46
|
export * from './multiplicity/checkMultiplet';
|
|
45
47
|
export * from './multiplicity/checkMultiplicity';
|
|
46
48
|
export * from './multiplicity/translateMultiplet';
|
|
49
|
+
export * from './datum/Filters';
|
|
50
|
+
export * as FiltersManager from './datum/FiltersManager';
|
|
51
|
+
export * from './datum/data1d/utils/getShiftX';
|
|
52
|
+
export * from './datum/data1d/utils/getSpectrumErrorValue';
|
|
53
|
+
export * from './datum/data1d/utils/mapPeaks';
|
|
54
|
+
export * from './datum/data1d/utils/mapRanges';
|
|
55
|
+
export * from './datum/data1d/utils/updateRanges';
|
|
56
|
+
export * from './datum/data1d/utils/checkIntegralKind';
|
|
57
|
+
export * from './datum/data1d/utils/updateRangesRelativeValues';
|
|
58
|
+
export * from './datum/data1d/utils/updateIntegralsRelativeValues';
|
|
59
|
+
export * as RangeUtilities from './datum/data1d/utils/RangeUtilities';
|
|
47
60
|
//# sourceMappingURL=index.js.map
|
package/lib-esm/index.js.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,mBAAmB,CAAC;AAClC,cAAc,kBAAkB,CAAC;AAEjC,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,gCAAgC,CAAC;AAE/C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,6BAA6B,CAAC;AAE5C,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC;AAEpC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AACtC,cAAc,wBAAwB,CAAC;AACvC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,uBAAuB,CAAC;AACtC,cAAc,6BAA6B,CAAC;AAC5C,cAAc,0BAA0B,CAAC;AACzC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AAEzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,6BAA6B,CAAC;AAC5C,cAAc,uBAAuB,CAAC;
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,0BAA0B,CAAC;AACzC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,mBAAmB,CAAC;AAClC,cAAc,kBAAkB,CAAC;AAEjC,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,gCAAgC,CAAC;AAE/C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,6BAA6B,CAAC;AAE5C,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC;AAEpC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AACtC,cAAc,wBAAwB,CAAC;AACvC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,uBAAuB,CAAC;AACtC,cAAc,6BAA6B,CAAC;AAC5C,cAAc,0BAA0B,CAAC;AACzC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AAEzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,6BAA6B,CAAC;AAC5C,cAAc,uBAAuB,CAAC;AACtC,cAAc,2BAA2B,CAAC;AAE1C,cAAc,yBAAyB,CAAC;AACxC,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAE7C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAE3C,cAAc,2BAA2B,CAAC;AAE1C,cAAc,kCAAkC,CAAC;AAEjD,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAC7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,kCAAkC,CAAC;AACjD,cAAc,mCAAmC,CAAC;AAElD,cAAc,iBAAiB,CAAC;AAChC,OAAO,KAAK,cAAc,MAAM,wBAAwB,CAAC;AACzD,cAAc,gCAAgC,CAAC;AAC/C,cAAc,4CAA4C,CAAC;AAC3D,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,mCAAmC,CAAC;AAClD,cAAc,wCAAwC,CAAC;AACvD,cAAc,iDAAiD,CAAC;AAChE,cAAc,oDAAoD,CAAC;AACnE,OAAO,KAAK,cAAc,MAAM,qCAAqC,CAAC"}
|
|
@@ -10,6 +10,6 @@ export function joinPatterns(patterns, options) {
|
|
|
10
10
|
if (!couplingPatterns[sum]) {
|
|
11
11
|
throw new Error("The joined pattern doesn't exist");
|
|
12
12
|
}
|
|
13
|
-
return
|
|
13
|
+
return options?.acsFormat ? couplingACSPatterns[sum] : couplingPatterns[sum];
|
|
14
14
|
}
|
|
15
15
|
//# sourceMappingURL=joinPatterns.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"joinPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/joinPatterns.ts"],"names":[],"mappings":"AAAA,OAAO,EACL,mBAAmB,EACnB,gBAAgB,GACjB,MAAM,+BAA+B,CAAC;AACvC,OAAO,EAAE,cAAc,EAAE,MAAM,6BAA6B,CAAC;AAgB7D,MAAM,UAAU,YAAY,CAC1B,QAAkB,EAClB,OAA6B;IAE7B,MAAM,GAAG,GAAG,QAAQ,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,OAAO,EAAE,EAAE;QAC3C,IAAI,KAAK,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC,EAAE;YAClC,MAAM,IAAI,KAAK,CACb,WAAW,OAAO,cAAc,MAAM,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CACxE,CAAC;SACH;QACD,OAAO,GAAG,GAAG,cAAc,CAAC,OAAO,CAAC,CAAC;IACvC,CAAC,EAAE,CAAC,CAAC,CAAC;IAEN,IAAI,CAAC,gBAAgB,CAAC,GAAG,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,OAAO,
|
|
1
|
+
{"version":3,"file":"joinPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/joinPatterns.ts"],"names":[],"mappings":"AAAA,OAAO,EACL,mBAAmB,EACnB,gBAAgB,GACjB,MAAM,+BAA+B,CAAC;AACvC,OAAO,EAAE,cAAc,EAAE,MAAM,6BAA6B,CAAC;AAgB7D,MAAM,UAAU,YAAY,CAC1B,QAAkB,EAClB,OAA6B;IAE7B,MAAM,GAAG,GAAG,QAAQ,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,OAAO,EAAE,EAAE;QAC3C,IAAI,KAAK,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC,EAAE;YAClC,MAAM,IAAI,KAAK,CACb,WAAW,OAAO,cAAc,MAAM,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CACxE,CAAC;SACH;QACD,OAAO,GAAG,GAAG,cAAc,CAAC,OAAO,CAAC,CAAC;IACvC,CAAC,EAAE,CAAC,CAAC,CAAC;IAEN,IAAI,CAAC,gBAAgB,CAAC,GAAG,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,OAAO,OAAO,EAAE,SAAS,CAAC,CAAC,CAAC,mBAAmB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC;AAC/E,CAAC"}
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
export async function getPredictions(key, molecule, predictOptions, predictor, predictions) {
|
|
2
2
|
let prediction;
|
|
3
|
-
if (predictions
|
|
3
|
+
if (predictions?.[key]) {
|
|
4
4
|
prediction = predictions[key];
|
|
5
5
|
}
|
|
6
6
|
else if (predictor) {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"getPredictions.js","sourceRoot":"","sources":["../../../src/prediction/utils/getPredictions.ts"],"names":[],"mappings":"AAMA,MAAM,CAAC,KAAK,UAAU,cAAc,CAClC,GAAW,EACX,QAAkB,EAClB,cAA8B,EAC9B,SAAsB,EACtB,WAAyB;IAEzB,IAAI,UAAoC,CAAC;IACzC,IAAI,WAAW,
|
|
1
|
+
{"version":3,"file":"getPredictions.js","sourceRoot":"","sources":["../../../src/prediction/utils/getPredictions.ts"],"names":[],"mappings":"AAMA,MAAM,CAAC,KAAK,UAAU,cAAc,CAClC,GAAW,EACX,QAAkB,EAClB,cAA8B,EAC9B,SAAsB,EACtB,WAAyB;IAEzB,IAAI,UAAoC,CAAC;IACzC,IAAI,WAAW,EAAE,CAAC,GAAG,CAAC,EAAE;QACtB,UAAU,GAAG,WAAW,CAAC,GAAG,CAAC,CAAC;KAC/B;SAAM,IAAI,SAAS,EAAE;QACpB,MAAM,aAAa,GAAG,SAAS,CAAC,GAAG,CAAC,CAAC;QACrC,UAAU,GAAG,aAAa;YACxB,CAAC,CAAC,MAAM,aAAa,CAAC,QAAQ,EAAE,cAAc,CAAC,GAAG,CAAC,CAAC;YACpD,CAAC,CAAC,SAAS,CAAC;KACf;IACD,OAAO,UAAU,CAAC;AACpB,CAAC"}
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import
|
|
1
|
+
import { xSum } from 'ml-spectra-processing';
|
|
2
2
|
import { joinPatterns } from '../multiplicity/joinPatterns';
|
|
3
3
|
const localeCompare = (a, b) => a.localeCompare(b);
|
|
4
4
|
const localeCompareJcouplingKeys = (a, b) => {
|
|
@@ -43,7 +43,7 @@ function groupJCouplings(signal, comparator, options) {
|
|
|
43
43
|
}
|
|
44
44
|
signal.js = [];
|
|
45
45
|
for (let group of groups) {
|
|
46
|
-
let coupling =
|
|
46
|
+
let coupling = xSum(group.map((group) => group.coupling)) / group.length;
|
|
47
47
|
let atoms = distinctValues(group
|
|
48
48
|
.filter((group) => group.atoms)
|
|
49
49
|
.map((group) => group.atoms)
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"signalJoinCouplings.js","sourceRoot":"","sources":["../../src/signal/signalJoinCouplings.ts"],"names":[],"mappings":"AAAA,OAAO,
|
|
1
|
+
{"version":3,"file":"signalJoinCouplings.js","sourceRoot":"","sources":["../../src/signal/signalJoinCouplings.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,IAAI,EAAE,MAAM,uBAAuB,CAAC;AAE7C,OAAO,EAAE,YAAY,EAAE,MAAM,8BAA8B,CAAC;AA6B5D,MAAM,aAAa,GAAG,CAAC,CAAS,EAAE,CAAS,EAAE,EAAE,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;AACnE,MAAM,0BAA0B,GAAG,CACjC,CAAqB,EACrB,CAAqB,EACrB,EAAE;IACF,MAAM,EAAE,GAAG,GAAG,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC;IACvD,MAAM,EAAE,GAAG,GAAG,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC;IACvD,OAAO,aAAa,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;AAC/B,CAAC,CAAC;AAEF,MAAM,YAAY,GAAG,CAAC,CAAY,EAAE,CAAY,EAAE,SAAiB,EAAE,EAAE,CACrE,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,QAAQ,CAAC,GAAG,SAAS,CAAC;AAEhD,MAAM,cAAc,GAAG,CACrB,CAAqB,EACrB,CAAqB,EACrB,SAAiB,EACjB,EAAE,CAAC,0BAA0B,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,CAAC,IAAI,YAAY,CAAC,CAAC,EAAE,CAAC,EAAE,SAAS,CAAC,CAAC;AAE7E;;;;GAIG;AACH,MAAM,UAAU,mBAAmB,CACjC,MAAmB,EACnB,UAAsC,EAAE;IAExC,MAAM,EAAE,SAAS,GAAG,IAAI,EAAE,YAAY,GAAG,KAAK,EAAE,SAAS,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IAE9E,IAAI,CAAC,MAAM,CAAC,EAAE,IAAI,MAAM,CAAC,EAAE,CAAC,MAAM,GAAG,CAAC;QAAE,OAAO,MAAM,CAAC;IAEtD,IAAI,YAAY,EAAE;QAChB,OAAO,CAAC,MAAM,CAAC,CAAC;QAChB,OAAO,eAAe,CAAC,MAAM,EAAE,YAAY,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;KACxE;SAAM;QACL,eAAe,CAAC,MAAM,CAAC,CAAC;QACxB,OAAO,eAAe,CAAC,MAAM,EAAE,cAAc,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;KAC1E;AACH,CAAC;AAED,SAAS,eAAe,CACtB,MAAuB,EACvB,UAAe,EACf,OAAmD;IAEnD,MAAM,EAAE,SAAS,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IACzC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,QAAQ,CAAC,CAAC;IAElD,IAAI,YAAY,GAAG,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IAClC,IAAI,MAAM,GAAG,CAAC,YAAY,CAAC,CAAC;IAC5B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACzC,IAAI,QAAQ,GAAG,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;QAC5B,IACE,UAAU,CAAC,YAAY,CAAC,YAAY,CAAC,MAAM,GAAG,CAAC,CAAC,EAAE,QAAQ,EAAE,SAAS,CAAC,EACtE;YACA,YAAY,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;SAC7B;aAAM;YACL,YAAY,GAAG,CAAC,QAAQ,CAAC,CAAC;YAC1B,MAAM,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC;SAC3B;KACF;IAED,MAAM,CAAC,EAAE,GAAG,EAAE,CAAC;IACf,KAAK,IAAI,KAAK,IAAI,MAAM,EAAE;QACxB,IAAI,QAAQ,GAAG,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,QAAQ,CAAC,CAAC,GAAG,KAAK,CAAC,MAAM,CAAC;QACzE,IAAI,KAAK,GAAG,cAAc,CACxB,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC;aAC9B,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC;aAC3B,IAAI,EAAc,CACV,CAAC;QAEd,IAAI,UAAU,GAAG,cAAc,CAC7B,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,UAAU,CAAC;aACnC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,UAAU,CAAC;aAChC,IAAI,EAAc,CACtB,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;QAEZ,IAAI,MAAM,GAAG,cAAc,CACzB,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC;aAC/B,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC;aAC5B,IAAI,EAAc,CACV,CAAC;QAEd,IAAI,SAAS,GAAG,cAAc,CAC5B,KAAK,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,UAAU,CAAa,CACvC,CAAC;QAEd,IAAI,YAAY,GAAG,YAAY,CAC7B,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,YAAY,CAAC;aACrC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,YAAY,CAAa,EACjD,EAAE,SAAS,EAAE,CACd,CAAC;QAEF,IAAI,IAAI,GAAc;YACpB,QAAQ;YACR,YAAY;SACb,CAAC;QAEF,IAAI,MAAM,CAAC,MAAM,KAAK,CAAC;YAAE,IAAI,CAAC,MAAM,GAAG,MAAM,CAAC;QAC9C,IAAI,SAAS,CAAC,MAAM,KAAK,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC;YAAE,IAAI,CAAC,UAAU,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;QAC3E,IAAI,UAAU,CAAC,MAAM,GAAG,CAAC;YAAE,IAAI,CAAC,UAAU,GAAG,UAAU,CAAC;QACxD,IAAI,KAAK,CAAC,MAAM,GAAG,CAAC;YAAE,IAAI,CAAC,KAAK,GAAG,KAAK,CAAC;QACzC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;KACtB;IACD,OAAO,MAAM,CAAC;AAChB,CAAC;AAED,SAAS,cAAc,CAAC,KAA0B;IAChD,MAAM,cAAc,GAAG,IAAI,GAAG,EAAE,CAAC;IACjC,KAAK,MAAM,OAAO,IAAI,KAAK,EAAE;QAC3B,cAAc,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC;KAC7B;IAED,OAAO,KAAK,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;AACpC,CAAC;AAED,SAAS,eAAe,CACtB,MAAmB;IAEnB,IAAI,CAAC,MAAM,CAAC,EAAE;QAAE,MAAM,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;IACnD,KAAK,MAAM,SAAS,IAAI,MAAM,CAAC,EAAE,EAAE;QACjC,IAAI,CAAC,SAAS,CAAC,MAAM;YAAE,MAAM,IAAI,KAAK,CAAC,qBAAqB,CAAC,CAAC;KAC/D;AACH,CAAC;AAED,SAAS,OAAO,CAAC,MAAmB;IAClC,IAAI,CAAC,MAAM,CAAC,EAAE;QAAE,MAAM,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;AACrD,CAAC"}
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@@ -9,7 +9,7 @@ export function signalMultiplicityPattern(signal, options) {
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9
9
|
if (js && js.length > 0) {
|
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10
10
|
for (let coupling of js) {
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11
11
|
const { multiplicity = '' } = coupling;
|
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12
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-
pattern +=
|
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12
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+
pattern += options?.acsFormat
|
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13
13
|
? selectACSPattern(multiplicity)
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14
14
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: multiplicity;
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15
15
|
}
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@@ -1 +1 @@
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1
|
-
{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE;;;GAGG;AAEH,MAAM,UAAU,yBAAyB,CACvC,MAAmB,EACnB,OAAiC;IAEjC,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,MAAM,EAAE,YAAY,GAAG,EAAE,EAAE,GAAG,QAAQ,CAAC;YACvC,OAAO,IAAI,
|
|
1
|
+
{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,gBAAgB,EAAE,MAAM,+BAA+B,CAAC;AACjE;;;GAGG;AAEH,MAAM,UAAU,yBAAyB,CACvC,MAAmB,EACnB,OAAiC;IAEjC,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,MAAM,EAAE,YAAY,GAAG,EAAE,EAAE,GAAG,QAAQ,CAAC;YACvC,OAAO,IAAI,OAAO,EAAE,SAAS;gBAC3B,CAAC,CAAC,gBAAgB,CAAC,YAAY,CAAC;gBAChC,CAAC,CAAC,YAAY,CAAC;SAClB;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,EAAE,CAAC;KACd;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC"}
|
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@@ -4,7 +4,6 @@ import { defaultParameters } from './defaultParameters';
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|
4
4
|
import { signalsToPointXY } from './signalsToPointXY';
|
|
5
5
|
const properties = ['init', 'min', 'max', 'gradientDifference'];
|
|
6
6
|
export function getInternalSignals(data, signals, minMaxY, options) {
|
|
7
|
-
var _a, _b;
|
|
8
7
|
let index = 0;
|
|
9
8
|
let internalSignals = [];
|
|
10
9
|
const { shape: shapeAsOption = { kind: 'gaussian' }, baseline: shiftValue = minMaxY.min, lineWidth = 1, frequency, } = options;
|
|
@@ -48,7 +47,7 @@ export function getInternalSignals(data, signals, minMaxY, options) {
|
|
|
48
47
|
for (const jCoupling of signal.js || []) {
|
|
49
48
|
for (const property of properties) {
|
|
50
49
|
const parameter = 'coupling';
|
|
51
|
-
let generalParameterValue =
|
|
50
|
+
let generalParameterValue = options?.parameters?.[parameter]?.[property];
|
|
52
51
|
if (generalParameterValue) {
|
|
53
52
|
if (typeof generalParameterValue === 'number') {
|
|
54
53
|
propertiesValues[property].push(getNormalizedValue(generalParameterValue, parameter, property, minMaxY, frequency, options.baseline));
|
|
@@ -102,15 +101,14 @@ function normalizeSignals(options) {
|
|
|
102
101
|
});
|
|
103
102
|
}
|
|
104
103
|
function getPropertyValue(options) {
|
|
105
|
-
var _a, _b, _c, _d;
|
|
106
104
|
const { signal, frequency, parameter, property, minMaxY, shapeFct } = options;
|
|
107
105
|
// check if the property is specified in the signal
|
|
108
|
-
let propertyValue =
|
|
106
|
+
let propertyValue = signal?.parameters?.[parameter]?.[property];
|
|
109
107
|
if (propertyValue) {
|
|
110
108
|
return getNormalizedValue(propertyValue, parameter, property, minMaxY, frequency, options.baseline);
|
|
111
109
|
}
|
|
112
110
|
// check if there are some global option, it could be a number or a callback
|
|
113
|
-
let generalParameterValue =
|
|
111
|
+
let generalParameterValue = options?.parameters?.[parameter]?.[property];
|
|
114
112
|
if (generalParameterValue) {
|
|
115
113
|
if (typeof generalParameterValue === 'number') {
|
|
116
114
|
return getNormalizedValue(generalParameterValue, parameter, property, minMaxY, frequency, options.baseline);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"getInternalSignals.js","sourceRoot":"","sources":["../../../src/signals/optimization/getInternalSignals.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,UAAU,EAA4B,MAAM,yBAAyB,CAAC;AAC/E,OAAO,EAAE,kBAAkB,EAAE,MAAM,uBAAuB,CAAC;AAM3D,OAAO,EAAE,iBAAiB,EAAE,MAAM,qBAAqB,CAAC;AACxD,OAAO,EAAE,gBAAgB,EAAE,MAAM,oBAAoB,CAAC;AAEtD,MAAM,UAAU,GAAG,CAAC,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,oBAAoB,CAAC,CAAC;AA4ChE,MAAM,UAAU,kBAAkB,CAChC,IAAY,EACZ,OAAiB,EACjB,OAA+B,EAC/B,OAAkC
|
|
1
|
+
{"version":3,"file":"getInternalSignals.js","sourceRoot":"","sources":["../../../src/signals/optimization/getInternalSignals.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,UAAU,EAA4B,MAAM,yBAAyB,CAAC;AAC/E,OAAO,EAAE,kBAAkB,EAAE,MAAM,uBAAuB,CAAC;AAM3D,OAAO,EAAE,iBAAiB,EAAE,MAAM,qBAAqB,CAAC;AACxD,OAAO,EAAE,gBAAgB,EAAE,MAAM,oBAAoB,CAAC;AAEtD,MAAM,UAAU,GAAG,CAAC,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,oBAAoB,CAAC,CAAC;AA4ChE,MAAM,UAAU,kBAAkB,CAChC,IAAY,EACZ,OAAiB,EACjB,OAA+B,EAC/B,OAAkC;IAElC,IAAI,KAAK,GAAG,CAAC,CAAC;IACd,IAAI,eAAe,GAAG,EAAE,CAAC;IACzB,MAAM,EACJ,KAAK,EAAE,aAAa,GAAG,EAAE,IAAI,EAAE,UAAU,EAAE,EAC3C,QAAQ,EAAE,UAAU,GAAG,OAAO,CAAC,GAAG,EAClC,SAAS,GAAG,CAAC,EACb,SAAS,GACV,GAAG,OAAO,CAAC;IAEZ,MAAM,iBAAiB,GAAG,gBAAgB,CAAC;QACzC,OAAO;QACP,IAAI;QACJ,UAAU;QACV,SAAS;QACT,KAAK,EAAE,OAAO,CAAC,KAAK;KACrB,CAAC,CAAC;IAEH,KAAK,MAAM,MAAM,IAAI,iBAAiB,EAAE;QACtC,MAAM,EAAE,KAAK,GAAG,EAAE,GAAG,aAAa,EAAE,EAAE,GAAG,MAAM,CAAC;QAEhD,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE;YACf,KAAK,CAAC,IAAI,GAAG,SAAS,CAAC;SACxB;QAED,KAAK,CAAC,IAAI,IAAI,SAAS,CAAC;QACxB,MAAM,QAAQ,GAAG,UAAU,CAAC,KAAK,CAAC,CAAC;QAEnC,MAAM,UAAU,GAAgB;YAC9B,OAAO;YACP,WAAW;YACX,GAAG,QAAQ,CAAC,aAAa,EAAE;SAC5B,CAAC;QAEF,MAAM,gBAAgB,GAA6B;YACjD,GAAG,EAAE,EAAE;YACP,GAAG,EAAE,EAAE;YACP,IAAI,EAAE,EAAE;YACR,kBAAkB,EAAE,EAAE;SACvB,CAAC;QAEF,KAAK,MAAM,SAAS,IAAI,UAAU,EAAE;YAClC,KAAK,MAAM,QAAQ,IAAI,UAAU,EAAE;gBACjC,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAC7B,gBAAgB,CAAC;oBACf,MAAM;oBACN,SAAS;oBACT,SAAS;oBACT,QAAQ;oBACR,OAAO;oBACP,QAAQ;iBACT,CAAC,CACH,CAAC;aACH;SACF;QAED,KAAK,MAAM,SAAS,IAAI,MAAM,CAAC,EAAE,IAAI,EAAE,EAAE;YACvC,KAAK,MAAM,QAAQ,IAAI,UAAU,EAAE;gBACjC,MAAM,SAAS,GAAG,UAAuB,CAAC;gBAC1C,IAAI,qBAAqB,GACvB,OAAO,EAAE,UAAU,EAAE,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;gBAC/C,IAAI,qBAAqB,EAAE;oBACzB,IAAI,OAAO,qBAAqB,KAAK,QAAQ,EAAE;wBAC7C,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAC7B,kBAAkB,CAChB,qBAAqB,EACrB,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CACF,CAAC;qBACH;yBAAM;wBACL,IAAI,KAAK,GAAG,qBAAqB,CAAC,EAAE,SAAS,EAAE,CAAC,CAAC;wBACjD,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAC7B,kBAAkB,CAChB,KAAK,EACL,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CACF,CAAC;qBACH;iBACF;gBACD,IAAI,CAAC,iBAAiB,CAAC,SAAS,CAAC,EAAE;oBACjC,MAAM,IAAI,KAAK,CAAC,4BAA4B,SAAS,EAAE,CAAC,CAAC;iBAC1D;gBACD,MAAM,sBAAsB,GAAG,iBAAiB,CAAC,SAAS,CAAC,CAAC,QAAQ,CAAC,CAAC;gBACtE,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAAC,sBAAsB,CAAC,EAAE,SAAS,EAAE,CAAC,CAAC,CAAC;aACxE;SACF;QAED,MAAM,SAAS,GAAG,KAAK,CAAC;QACxB,MAAM,OAAO,GAAG,SAAS,GAAG,UAAU,CAAC,MAAM,GAAG,CAAC,CAAC;QAElD,MAAM,iBAAiB,GAAG,OAAO,GAAG,CAAC,CAAC;QACtC,MAAM,eAAe,GAAG,iBAAiB,GAAG,MAAM,CAAC,EAAE,CAAC,MAAM,GAAG,CAAC,CAAC;QAEjE,KAAK,IAAI,eAAe,GAAG,SAAS,GAAG,CAAC,CAAC;QACzC,eAAe,CAAC,IAAI,CAAC;YACnB,KAAK,EAAE,KAAwB;YAC/B,QAAQ;YACR,MAAM;YACN,UAAU;YACV,gBAAgB;YAChB,SAAS;YACT,OAAO;YACP,iBAAiB;YACjB,eAAe;SAChB,CAAC,CAAC;KACJ;IAED,OAAO,eAAe,CAAC;AACzB,CAAC;AAED,SAAS,gBAAgB,CAAmB,OAM3C;IACC,MAAM,EAAE,OAAO,EAAE,IAAI,EAAE,SAAS,EAAE,UAAU,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;IAEhE,MAAM,eAAe,GAAG,CAAC,MAAc,EAAE,EAAE;QACzC,MAAM,KAAK,GAAG,gBAAgB,CAAC,CAAC,MAAM,CAAC,EAAE,EAAE,SAAS,EAAE,cAAc,EAAE,CAAC,EAAE,CAAC,CAAC;QAC3E,MAAM,WAAW,GAAG,KAAK,CAAC,MAAM,CAC9B,CAAC,OAAO,EAAE,IAAI,EAAE,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,EACxD,KAAK,CAAC,CAAC,CAAC,CACT,CAAC;QACF,MAAM,EAAE,CAAC,EAAE,YAAY,EAAE,GAAG,kBAAkB,CAAC,IAAI,EAAE,WAAW,CAAC,CAAC,CAAC,CAAC;QACpE,OAAO,YAAY,CAAC;IACtB,CAAC,CAAC;IAEF,OAAO,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE;QAC5B,MAAM,EAAE,SAAS,GAAG,eAAe,CAAC,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC;QACvD,OAAO;YACL,GAAG,MAAM;YACT,EAAE,EAAE,MAAM,CAAC,EAAE,IAAI,EAAE;YACnB,SAAS,EAAE,CAAC,SAAS,GAAG,UAAU,CAAC,GAAG,KAAK;SAC5C,CAAC;IACJ,CAAC,CAAC,CAAC;AACL,CAAC;AAED,SAAS,gBAAgB,CAAC,OASzB;IACC,MAAM,EAAE,MAAM,EAAE,SAAS,EAAE,SAAS,EAAE,QAAQ,EAAE,OAAO,EAAE,QAAQ,EAAE,GAAG,OAAO,CAAC;IAE9E,mDAAmD;IACnD,IAAI,aAAa,GAAG,MAAM,EAAE,UAAU,EAAE,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;IAChE,IAAI,aAAa,EAAE;QACjB,OAAO,kBAAkB,CACvB,aAAa,EACb,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CAAC;KACH;IAED,4EAA4E;IAE5E,IAAI,qBAAqB,GAAG,OAAO,EAAE,UAAU,EAAE,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;IACzE,IAAI,qBAAqB,EAAE;QACzB,IAAI,OAAO,qBAAqB,KAAK,QAAQ,EAAE;YAC7C,OAAO,kBAAkB,CACvB,qBAAqB,EACrB,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CAAC;SACH;aAAM;YACL,IAAI,KAAK,GAAG,qBAAqB,CAAC,MAAM,CAAC,CAAC;YAC1C,OAAO,kBAAkB,CACvB,KAAK,EACL,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CAAC;SACH;KACF;IAED,8CAA8C;IAC9C,IAAI,CAAC,iBAAiB,CAAC,SAAS,CAAC,EAAE;QACjC,MAAM,IAAI,KAAK,CAAC,4BAA4B,SAAS,EAAE,CAAC,CAAC;KAC1D;IACD,MAAM,sBAAsB,GAAG,iBAAiB,CAAC,SAAS,CAAC,CAAC,QAAQ,CAAC,CAAC;IACtE,OAAO,sBAAsB,CAAC,EAAE,MAAM,EAAE,KAAK,EAAE,QAAQ,EAAE,CAAC,CAAC;AAC7D,CAAC;AAED,SAAS,kBAAkB,CACzB,KAAa,EACb,SAAsC,EACtC,QAAgB,EAChB,OAA+B,EAC/B,SAAiB,EACjB,QAAiB;IAEjB,IAAI,SAAS,KAAK,WAAW,EAAE;QAC7B,IAAI,QAAQ,KAAK,oBAAoB,EAAE;YACrC,OAAO,KAAK,CAAC;SACd;aAAM;YACL,OAAO,QAAQ,KAAK,SAAS;gBAC3B,CAAC,CAAC,CAAC,KAAK,GAAG,QAAQ,CAAC,GAAG,OAAO,CAAC,KAAK;gBACpC,CAAC,CAAC,CAAC,KAAK,GAAG,OAAO,CAAC,GAAG,CAAC,GAAG,OAAO,CAAC,KAAK,CAAC;SAC3C;KACF;SAAM,IAAI,SAAS,KAAK,MAAM,EAAE;QAC/B,OAAO,KAAK,GAAG,SAAS,CAAC;KAC1B;IACD,OAAO,KAAK,CAAC;AACf,CAAC"}
|
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@@ -1,6 +1,5 @@
|
|
|
1
1
|
import { v4 as generateID } from '@lukeed/uuid';
|
|
2
|
-
import
|
|
3
|
-
import sum from 'ml-array-sum';
|
|
2
|
+
import { xSum, xMean } from 'ml-spectra-processing';
|
|
4
3
|
import { signalJoinCouplings } from '../signal/signalJoinCouplings';
|
|
5
4
|
const localeCompare = (a, b) => a.localeCompare(b);
|
|
6
5
|
const localeCompareJcouplingKeys = (a, b) => {
|
|
@@ -55,13 +54,13 @@ export function signalsJoin(signals, options = {}) {
|
|
|
55
54
|
diaIDs: coupling.diaIDs,
|
|
56
55
|
pathLength: coupling.pathLength,
|
|
57
56
|
multiplicity: coupling.multiplicity,
|
|
58
|
-
coupling:
|
|
57
|
+
coupling: xMean(group.map((item) => item.js[i].coupling)),
|
|
59
58
|
});
|
|
60
59
|
}
|
|
61
60
|
let signal = {
|
|
62
61
|
id: generateID(),
|
|
63
|
-
nbAtoms:
|
|
64
|
-
delta:
|
|
62
|
+
nbAtoms: xSum(group.map((item) => item.nbAtoms || 0)),
|
|
63
|
+
delta: xMean(group.map((item) => item.delta)),
|
|
65
64
|
diaIDs: group[0].diaIDs,
|
|
66
65
|
atoms: group.map((item) => item.atoms || []).flat(),
|
|
67
66
|
js,
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"signalsJoin.js","sourceRoot":"","sources":["../../src/signals/signalsJoin.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,IAAI,UAAU,EAAE,MAAM,cAAc,CAAC;AAChD,OAAO,IAAI,
|
|
1
|
+
{"version":3,"file":"signalsJoin.js","sourceRoot":"","sources":["../../src/signals/signalsJoin.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,IAAI,UAAU,EAAE,MAAM,cAAc,CAAC;AAChD,OAAO,EAAE,IAAI,EAAE,KAAK,EAAE,MAAM,uBAAuB,CAAC;AAEpD,OAAO,EAAE,mBAAmB,EAAE,MAAM,+BAA+B,CAAC;AAwBpE,MAAM,aAAa,GAAG,CAAC,CAAS,EAAE,CAAS,EAAE,EAAE,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;AACnE,MAAM,0BAA0B,GAAG,CACjC,CAA0B,EAC1B,CAA0B,EAC1B,EAAE;IACF,MAAM,EAAE,GAAG,GAAG,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,UAAU,EAAE,CAAC;IAClD,MAAM,EAAE,GAAG,GAAG,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,UAAU,EAAE,CAAC;IAClD,OAAO,aAAa,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;AAC/B,CAAC,CAAC;AACF,SAAS,iBAAiB,CACxB,OAAsB;IAEtB,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,IAAI,CAAC,MAAM,CAAC,EAAE;YAAE,MAAM,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;QACnD,IAAI,CAAC,MAAM,CAAC,MAAM;YAAE,MAAM,IAAI,KAAK,CAAC,qBAAqB,CAAC,CAAC;QAC3D,KAAK,MAAM,SAAS,IAAI,MAAM,CAAC,EAAE,EAAE;YACjC,IAAI,CAAC,SAAS,CAAC,MAAM;gBAAE,MAAM,IAAI,KAAK,CAAC,qBAAqB,CAAC,CAAC;YAC9D,IAAI,CAAC,SAAS,CAAC,UAAU;gBAAE,MAAM,IAAI,KAAK,CAAC,yBAAyB,CAAC,CAAC;SACvE;KACF;AACH,CAAC;AACD;;GAEG;AACH,MAAM,UAAU,WAAW,CACzB,OAAsB,EACtB,UAA8B,EAAE;IAEhC,iBAAiB,CAAC,OAAO,CAAC,CAAC;IAC3B,MAAM,EAAE,aAAa,GAAG,EAAE,EAAE,GAAG,OAAO,CAAC;IACvC,MAAM,EAAE,SAAS,EAAE,YAAY,EAAE,GAAG,aAAa,CAAC;IAClD,0BAA0B;IAE1B,MAAM,WAAW,GAA8B,IAAI,CAAC,KAAK,CACvD,IAAI,CAAC,SAAS,CAAC,OAAO,CAAC,CACxB,CAAC;IAEF,MAAM,cAAc,GAA8C,EAAE,CAAC;IAErE,KAAK,IAAI,MAAM,IAAI,WAAW,EAAE;QAC9B,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,0BAA0B,CAAC,CAAC;QACvD,MAAM,SAAS,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;QAC1C,IAAI,EAAE,GAAG,GAAG,SAAS,IAAI,MAAM,CAAC,EAAE;aAC/B,GAAG,CACF,CAAC,CAA0B,EAAE,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,UAAU,EAAE,CACxE;aACA,IAAI,CAAC,aAAa,CAAC;aACnB,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC;QACf,IAAI,CAAC,cAAc,CAAC,EAAE,CAAC,EAAE;YACvB,cAAc,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC;SACzB;QACD,cAAc,CAAC,EAAE,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;KACjC;IACD,sEAAsE;IACtE,IAAI,UAAU,GAA8B,EAAE,CAAC;IAC/C,MAAM,CAAC,MAAM,CAAC,cAAc,CAAC,CAAC,OAAO,CAAC,CAAC,KAAK,EAAE,EAAE;QAC9C,2DAA2D;QAC3D,IAAI,EAAE,GAA8B,EAAE,CAAC;QACvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YAC3C,MAAM,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;YAChC,EAAE,CAAC,IAAI,CAAC;gBACN,MAAM,EAAE,QAAQ,CAAC,MAAM;gBACvB,UAAU,EAAE,QAAQ,CAAC,UAAU;gBAC/B,YAAY,EAAE,QAAQ,CAAC,YAAY;gBACnC,QAAQ,EAAE,KAAK,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC;aAC1D,CAAC,CAAC;SACJ;QACD,IAAI,MAAM,GAA4B;YACpC,EAAE,EAAE,UAAU,EAAE;YAChB,OAAO,EAAE,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,OAAO,IAAI,CAAC,CAAC,CAAC;YACrD,KAAK,EAAE,KAAK,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;YAC7C,MAAM,EAAE,KAAK,CAAC,CAAC,CAAC,CAAC,MAAM;YACvB,KAAK,EAAE,KAAK,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE;YACnD,EAAE;SACH,CAAC;QAEF,MAAM,UAAU,GAAG,KAAK;aACrB,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC,UAAU,CAAC;aAC9B,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,CAAC;aACtB,IAAI,CAAC,GAAG,CAAC,CAAC;QAEb,IAAI,UAAU,CAAC,MAAM,GAAG,CAAC;YAAE,MAAM,CAAC,UAAU,GAAG,UAAU,CAAC;QAE1D,UAAU,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;IAC1B,CAAC,CAAC,CAAC;IAEH,UAAU,GAAG,UAAU;SACpB,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE;QACd,IAAI,SAAS,GAAG,mBAAmB,CAAC,MAAM,EAAE;YAC1C,SAAS;YACT,YAAY;SACb,CAA4B,CAAC;QAC9B,IAAI,SAAS,CAAC,EAAE,EAAE;YAChB,SAAS,CAAC,YAAY;gBACpB,SAAS,CAAC,EAAE,CAAC,MAAM,GAAG,CAAC;oBACrB,CAAC,CAAC,SAAS,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,YAAY,CAAC,CAAC,IAAI,CAAC,EAAE,CAAC;oBAClD,CAAC,CAAC,GAAG,CAAC;SACX;QACD,OAAO,SAAS,CAAC;IACnB,CAAC,CAAC;SACD,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC,CAAC;IAErC,OAAO,UAAU,CAAC;AACpB,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"signalsToRanges.js","sourceRoot":"","sources":["../../src/signals/signalsToRanges.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,IAAI,UAAU,EAAE,MAAM,cAAc,CAAC;AAGhD,OAAO,EAAE,eAAe,EAAE,MAAM,8BAA8B,CAAC;AA2B/D,SAAS,YAAY,CACnB,OAAsB;IAEtB,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,IAAI,CAAC,MAAM,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,sBAAsB,CAAC,CAAC;KAC9D;AACH,CAAC;AAED,MAAM,UAAU,eAAe,CAC7B,OAAsB,EACtB,UAAkC,EAAE;IAEpC,YAAY,CAAC,OAAO,CAAC,CAAC;IAEtB,MAAM,EAAE,SAAS,GAAG,IAAI,EAAE,SAAS,GAAG,GAAG,EAAE,GAAG,OAAO,CAAC;IAEtD,IAAI,OAAO,GAAG,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC;QACrC,QAAQ,EAAE,MAAM;KACjB,CAAC,CAAoB,CAAC;IAEvB,OAAO,CAAC,OAAO,CAAC,CAAC,MAAM,EAAE,EAAE;QACzB,MAAM,MAAM,GAAG,eAAe,CAAC,MAAM,CAAC,QAAQ,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;QAC1E,MAAM,CAAC,IAAI,GAAG,MAAM,CAAC,IAAI,CAAC;QAC1B,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACxB,CAAC,CAAC,CAAC;IAEH,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,OAAO,EAAE,OAAO,EAAE,EAAE,CAAC,OAAO,CAAC,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE1E,IAAI,MAAM,
|
|
1
|
+
{"version":3,"file":"signalsToRanges.js","sourceRoot":"","sources":["../../src/signals/signalsToRanges.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,IAAI,UAAU,EAAE,MAAM,cAAc,CAAC;AAGhD,OAAO,EAAE,eAAe,EAAE,MAAM,8BAA8B,CAAC;AA2B/D,SAAS,YAAY,CACnB,OAAsB;IAEtB,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,IAAI,CAAC,MAAM,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,sBAAsB,CAAC,CAAC;KAC9D;AACH,CAAC;AAED,MAAM,UAAU,eAAe,CAC7B,OAAsB,EACtB,UAAkC,EAAE;IAEpC,YAAY,CAAC,OAAO,CAAC,CAAC;IAEtB,MAAM,EAAE,SAAS,GAAG,IAAI,EAAE,SAAS,GAAG,GAAG,EAAE,GAAG,OAAO,CAAC;IAEtD,IAAI,OAAO,GAAG,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC;QACrC,QAAQ,EAAE,MAAM;KACjB,CAAC,CAAoB,CAAC;IAEvB,OAAO,CAAC,OAAO,CAAC,CAAC,MAAM,EAAE,EAAE;QACzB,MAAM,MAAM,GAAG,eAAe,CAAC,MAAM,CAAC,QAAQ,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;QAC1E,MAAM,CAAC,IAAI,GAAG,MAAM,CAAC,IAAI,CAAC;QAC1B,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACxB,CAAC,CAAC,CAAC;IAEH,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,OAAO,EAAE,OAAO,EAAE,EAAE,CAAC,OAAO,CAAC,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE1E,IAAI,MAAM,GAAqB,EAAE,CAAC;IAClC,IAAI,KAAK,GAAG,EAAoB,CAAC;IACjC,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,IAAI,KAAK,CAAC,IAAI,KAAK,SAAS,IAAI,MAAM,CAAC,IAAI,GAAG,KAAK,CAAC,EAAE,EAAE;YACtD,KAAK,GAAG;gBACN,EAAE,EAAE,UAAU,EAAE;gBAChB,IAAI,EAAE,MAAM,CAAC,IAAI;gBACjB,EAAE,EAAE,MAAM,CAAC,EAAE;gBACb,WAAW,EAAE,MAAM,CAAC,QAAQ,CAAC,OAAO;gBACpC,OAAO,EAAE,CAAC,MAAM,CAAC,QAAQ,CAAC;aAC3B,CAAC;YACF,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;SACpB;aAAM;YACL,KAAK,CAAC,WAAW,IAAI,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC;YAC7C,IAAI,MAAM,CAAC,EAAE,GAAG,KAAK,CAAC,EAAE;gBAAE,KAAK,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;YAC/C,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC;SACrC;KACF;IACD,OAAO,MAAM,CAAC;AAChB,CAAC"}
|
|
@@ -1,5 +1,4 @@
|
|
|
1
|
-
import
|
|
2
|
-
import { xSequentialFill } from 'ml-spectra-processing';
|
|
1
|
+
import { xSequentialFill, xRescale } from 'ml-spectra-processing';
|
|
3
2
|
import { signalsToSpinSystem } from './simulation/signalsToSpinSystem';
|
|
4
3
|
import simulate1D from './simulation/simulate1D';
|
|
5
4
|
import { splitSpinSystem } from './simulation/splitSpinSystem';
|
|
@@ -45,7 +44,7 @@ export function signalsToXY(signals, options = {}) {
|
|
|
45
44
|
shape,
|
|
46
45
|
});
|
|
47
46
|
if (maxValue) {
|
|
48
|
-
spectrum.y =
|
|
47
|
+
spectrum.y = xRescale(spectrum.y, { max: maxValue });
|
|
49
48
|
}
|
|
50
49
|
return spectrum;
|
|
51
50
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"signalsToXY.js","sourceRoot":"","sources":["../../src/signals/signalsToXY.ts"],"names":[],"mappings":"
|
|
1
|
+
{"version":3,"file":"signalsToXY.js","sourceRoot":"","sources":["../../src/signals/signalsToXY.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,eAAe,EAAE,QAAQ,EAAE,MAAM,uBAAuB,CAAC;AAMlE,OAAO,EAAE,mBAAmB,EAAE,MAAM,kCAAkC,CAAC;AACvE,OAAO,UAAU,MAAM,yBAAyB,CAAC;AACjD,OAAO,EAAE,eAAe,EAAE,MAAM,8BAA8B,CAAC;AA8C/D,SAAS,iBAAiB,CACxB,OAAsB;IAEtB,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,IAAI,CAAC,MAAM,CAAC,EAAE;YAAE,MAAM,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;QACnD,4DAA4D;QAC5D,IAAI,CAAC,MAAM,CAAC,KAAK;YAAE,MAAM,IAAI,KAAK,CAAC,oBAAoB,CAAC,CAAC;QACzD,KAAK,MAAM,CAAC,IAAI,MAAM,CAAC,EAAE,EAAE;YACzB,uDAAuD;YACvD,IAAI,CAAC,CAAC,CAAC,KAAK;gBAAE,MAAM,IAAI,KAAK,CAAC,oBAAoB,CAAC,CAAC;SACrD;KACF;AACH,CAAC;AAED;;GAEG;AACH,MAAM,UAAU,WAAW,CACzB,OAAsB,EACtB,UAA8B,EAAE;IAEhC,iBAAiB,CAAC,OAAO,CAAC,CAAC;IAC3B,IAAI,EACF,SAAS,GAAG,GAAG,EACf,KAAK,GAAG;QACN,IAAI,EAAE,UAAU;KACjB,EACD,IAAI,GAAG,CAAC,EACR,EAAE,GAAG,EAAE,EACP,SAAS,GAAG,CAAC,EACb,QAAQ,GAAG,EAAE,GAAG,IAAI,EACpB,QAAQ,GAAG,GAAG,EACd,cAAc,GAAG,CAAC,GACnB,GAAG,OAAO,CAAC;IAEZ,IAAI,OAAO,CAAC,MAAM,KAAK,CAAC,EAAE;QACxB,OAAO;YACL,CAAC,EAAE,eAAe,CAAC,EAAE,IAAI,EAAE,EAAE,EAAE,IAAI,EAAE,QAAQ,EAAE,CAAC;YAChD,CAAC,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;SAC1C,CAAC;KACH;IAED,IAAI,UAAU,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC;IAE9C,UAAU,CAAC,QAAQ,GAAG,eAAe,CAAC,UAAU,EAAE;QAChD,SAAS;QACT,cAAc;KACf,CAAC,CAAC;IAEH,IAAI,QAAQ,GAAG,UAAU,CAAC,UAAU,EAAE;QACpC,SAAS;QACT,IAAI;QACJ,EAAE;QACF,QAAQ;QACR,SAAS;QACT,KAAK;KACN,CAAC,CAAC;IAEH,IAAI,QAAQ,EAAE;QACZ,QAAQ,CAAC,CAAC,GAAG,QAAQ,CAAC,QAAQ,CAAC,CAAC,EAAE,EAAE,GAAG,EAAE,QAAQ,EAAE,CAAC,CAAC;KACtD;IAED,OAAO,QAAQ,CAAC;AAClB,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"simulateXYPeaks.js","sourceRoot":"","sources":["../../../src/signals/simulation/simulateXYPeaks.ts"],"names":[],"mappings":"AAAA,OAAO,YAAY,MAAM,eAAe,CAAC;AACzC,OAAO,EAAE,MAAM,EAAE,GAAG,EAAE,MAAM,WAAW,CAAC;AAGxC,OAAO,EAAE,YAAY,EAAE,MAAM,kBAAkB,CAAC;AAIhD,OAAO,cAAc,MAAM,kBAAkB,CAAC;AAE9C,MAAM,UAAU,GAAG,IAAI,CAAC;AAwCxB,MAAM,UAAU,eAAe;AAC7B;;GAEG;AACH,UAAsB,EACtB,UAA6B,EAAE;IAE/B,IAAI,EACF,SAAS,GAAG,CAAC,EACb,cAAc,GAAG,CAAC,EAClB,SAAS,EAAE,YAAY,GAAG,GAAG,GAC9B,GAAG,OAAO,CAAC;IAEZ,MAAM,cAAc,GAAG,UAAU,CAAC,cAAc,CAAC,KAAK,EAAE,CAAC;IACzD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,cAAc,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC9C,cAAc,CAAC,CAAC,CAAC,GAAG,cAAc,CAAC,CAAC,CAAC,GAAG,YAAY,CAAC;KACtD;IAED,MAAM,YAAY,GAAG,UAAU,CAAC,YAAY,CAAC;IAE7C,MAAM,OAAO,
|
|
1
|
+
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1
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@@ -0,0 +1 @@
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1
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+
{"version":3,"file":"Data1D.js","sourceRoot":"","sources":["../../src/types/Data1D.ts"],"names":[],"mappings":""}
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"Data2D.js","sourceRoot":"","sources":["../../src/
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1
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+
{"version":3,"file":"Data2D.js","sourceRoot":"","sources":["../../src/types/Data2D.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
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1
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+
{"version":3,"file":"Filter.js","sourceRoot":"","sources":["../../src/types/Filter.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
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1
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+
{"version":3,"file":"Info.js","sourceRoot":"","sources":["../../../src/types/Info/Info.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
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1
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+
{"version":3,"file":"Info1D.js","sourceRoot":"","sources":["../../../src/types/Info/Info1D.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
|
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1
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+
{"version":3,"file":"Info2D.js","sourceRoot":"","sources":["../../../src/types/Info/Info2D.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
|
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1
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+
{"version":3,"file":"Integral.js","sourceRoot":"","sources":["../../src/types/Integral.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
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1
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+
{"version":3,"file":"Integrals.js","sourceRoot":"","sources":["../../src/types/Integrals.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
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|
|
1
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+
{"version":3,"file":"SumOptions.js","sourceRoot":"","sources":["../../../src/types/Options/SumOptions.ts"],"names":[],"mappings":""}
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@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"BasePeak.js","sourceRoot":"","sources":["../../../src/types/Peaks/BasePeak.ts"],"names":[],"mappings":""}
|