nmr-processing 9.7.7 → 9.7.9-pre.1690349439
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/compose.js +1 -1
- package/lib/apodization/compose.js.map +1 -1
- package/lib/assignment/get13CAssignments.d.ts +1 -1
- package/lib/assignment/get13CAssignments.js +3 -3
- package/lib/assignment/get13CAssignments.js.map +1 -1
- package/lib/assignment/get1HAssignments.d.ts +2 -4
- package/lib/assignment/get1HAssignments.js +3 -3
- package/lib/assignment/get1HAssignments.js.map +1 -1
- package/lib/assignment/getAssignments.d.ts +3 -5
- package/lib/assignment/getAssignments.js +5 -5
- package/lib/assignment/getAssignments.js.map +1 -1
- package/lib/assignment/nmrAssigment.d.ts +2 -2
- package/lib/assignment/utils/addSolution.d.ts +13 -0
- package/lib/assignment/utils/addSolution.js +29 -0
- package/lib/assignment/utils/addSolution.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.d.ts +13 -27
- package/lib/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js +15 -15
- package/lib/assignment/utils/generalAssignment/buildAssignments.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js +6 -6
- package/lib/assignment/utils/generalAssignment/checkIDs.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.d.ts +3 -7
- package/lib/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js +7 -7
- package/lib/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/exploreTree.d.ts +1 -1
- package/lib/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js +6 -7
- package/lib/assignment/utils/generalAssignment/exploreTree.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/formatData.js +5 -5
- package/lib/assignment/utils/generalAssignment/formatData.js.map +1 -0
- package/lib/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.d.ts +2 -4
- package/lib/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js +1 -1
- package/lib/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.d.ts +1 -1
- package/lib/assignment/utils/generalAssignment/getWorkFlow.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js +8 -8
- package/lib/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
- package/lib/assignment/utils/generalAssignment/isSpectraData1D.js.map +1 -0
- package/lib/assignment/utils/{getAssignment → generalAssignment}/partialScore.d.ts +1 -3
- package/lib/assignment/utils/{getAssignment → generalAssignment}/partialScore.js +20 -20
- package/lib/assignment/utils/generalAssignment/partialScore.js.map +1 -0
- package/lib/assignment/utils/generalAssignment/searchIndices.js.map +1 -0
- package/lib/assignment/utils/{buildAssignments.d.ts → oneDimensionalAssignment/buildAssignments.d.ts} +2 -4
- package/lib/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js} +4 -4
- package/lib/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map +1 -0
- package/lib/assignment/utils/{createMapPossibleAssignments.d.ts → oneDimensionalAssignment/createMapPossibleAssignments.d.ts} +3 -5
- package/lib/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js} +4 -4
- package/lib/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map +1 -0
- package/lib/assignment/utils/{exploreTreeRec.d.ts → oneDimensionalAssignment/exploreTreeRec.d.ts} +1 -1
- package/lib/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js} +7 -8
- package/lib/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map +1 -0
- package/lib/assignment/utils/{partialScore.d.ts → oneDimensionalAssignment/partialScore.d.ts} +1 -1
- package/lib/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} +9 -9
- package/lib/assignment/utils/oneDimensionalAssignment/partialScore.js.map +1 -0
- package/lib/constants/SignalsKinds.d.ts +2 -2
- package/lib/constants/SignalsKinds.js.map +1 -1
- package/lib/constants/couplingValues.d.ts +1 -3
- package/lib/constants/couplingValues.js.map +1 -1
- package/lib/constants/impurities.d.ts +1509 -6
- package/lib/constants/impurities.js +2 -1
- package/lib/constants/impurities.js.map +1 -1
- package/lib/databases/getDatabase.js +1 -1
- package/lib/databases/getDatabase.js.map +1 -1
- package/lib/datum/Filters.js +4 -0
- package/lib/datum/Filters.js.map +1 -1
- package/lib/datum/FiltersManager.d.ts +1 -1
- package/lib/datum/FiltersManager.js +2 -2
- package/lib/datum/FiltersManager.js.map +1 -1
- package/lib/datum/MatrixOptions.d.ts +2 -2
- package/lib/datum/data1d/Entry1D.d.ts +1 -1
- package/lib/datum/data1d/filter1d/baselineCorrection.js +4 -4
- package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
- package/lib/datum/data1d/filter1d/digitalFilter.js +2 -2
- package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -1
- package/lib/datum/data1d/filter1d/fft.js +7 -7
- package/lib/datum/data1d/filter1d/fft.js.map +1 -1
- package/lib/datum/data1d/filter1d/phaseCorrection.js +3 -3
- package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
- package/lib/datum/data1d/filter1d/signalProcessing.js +1 -1
- package/lib/datum/data1d/filter1d/signalProcessing.js.map +1 -1
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
- package/lib/datum/data1d/filter1d/zeroFilling.js +8 -8
- package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -1
- package/lib/datum/data1d/utils/mapPeaks.js +1 -1
- package/lib/datum/data1d/utils/mapPeaks.js.map +1 -1
- package/lib/datum/data2d/Entry2D.d.ts +1 -1
- package/lib/datum/data2d/filter2d/fftDimension1.d.ts +15 -0
- package/lib/datum/data2d/filter2d/fftDimension1.js +49 -0
- package/lib/datum/data2d/filter2d/fftDimension1.js.map +1 -0
- package/lib/datum/data2d/filter2d/fftDimension2.d.ts +15 -0
- package/lib/datum/data2d/filter2d/fftDimension2.js +60 -0
- package/lib/datum/data2d/filter2d/fftDimension2.js.map +1 -0
- package/lib/datum/data2d/utils/getShift.js +1 -1
- package/lib/datum/data2d/utils/getShift.js.map +1 -1
- package/lib/multiplicity/joinPatterns.js +1 -1
- package/lib/multiplicity/joinPatterns.js.map +1 -1
- package/lib/multiplicity/splitPatterns.js +1 -1
- package/lib/multiplicity/splitPatterns.js.map +1 -1
- package/lib/peaks/peakToXY.d.ts +1 -1
- package/lib/peaks/peaksFilterImpurities.js +7 -6
- package/lib/peaks/peaksFilterImpurities.js.map +1 -1
- package/lib/peaks/peaksToRanges.js +17 -17
- package/lib/peaks/peaksToRanges.js.map +1 -1
- package/lib/peaks/peaksToXY.d.ts +1 -1
- package/lib/peaks/solventSuppression.js +11 -11
- package/lib/peaks/solventSuppression.js.map +1 -1
- package/lib/peaks/util/addMissingIDs.js.map +1 -1
- package/lib/peaks/util/determineRealTop.js +32 -32
- package/lib/peaks/util/determineRealTop.js.map +1 -1
- package/lib/peaks/util/getKernel.js +4 -4
- package/lib/peaks/util/getKernel.js.map +1 -1
- package/lib/peaks/util/peakOptimizer.js +17 -17
- package/lib/peaks/util/peakOptimizer.js.map +1 -1
- package/lib/peaks/util/setIDs.js.map +1 -1
- package/lib/prediction/dataStructure.d.ts +1 -3
- package/lib/prediction/predictAll.js +2 -1
- package/lib/prediction/predictAll.js.map +1 -1
- package/lib/prediction/predictCOSY.js +1 -1
- package/lib/prediction/predictCOSY.js.map +1 -1
- package/lib/prediction/predictCarbon.js +6 -6
- package/lib/prediction/predictCarbon.js.map +1 -1
- package/lib/prediction/predictHMBC.js +1 -1
- package/lib/prediction/predictHMBC.js.map +1 -1
- package/lib/prediction/predictHSQC.js +1 -1
- package/lib/prediction/predictHSQC.js.map +1 -1
- package/lib/prediction/predictProton.js +9 -9
- package/lib/prediction/predictProton.js.map +1 -1
- package/lib/prediction/utils/getFilteredIDiaIDs.js +3 -3
- package/lib/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
- package/lib/prediction/utils/getNuclei.d.ts +1 -3
- package/lib/prediction/utils/getNuclei.js.map +1 -1
- package/lib/prediction/utils/predict2D.d.ts +1 -3
- package/lib/prediction/utils/predict2D.js +17 -17
- package/lib/prediction/utils/predict2D.js.map +1 -1
- package/lib/prediction/utils/queryByHOSE.js +1 -1
- package/lib/prediction/utils/queryByHOSE.js.map +1 -1
- package/lib/ranges/markSolventSignal.js +8 -8
- package/lib/ranges/markSolventSignal.js.map +1 -1
- package/lib/ranges/rangesToACS.js +6 -6
- package/lib/ranges/rangesToACS.js.map +1 -1
- package/lib/ranges/rangesToXY.js +6 -6
- package/lib/ranges/rangesToXY.js.map +1 -1
- package/lib/signal/signalJoinCouplings.js +19 -12
- package/lib/signal/signalJoinCouplings.js.map +1 -1
- package/lib/signal/signalMultiplicityPattern.js +2 -2
- package/lib/signal/signalMultiplicityPattern.js.map +1 -1
- package/lib/signals/addDummySignals.js +4 -4
- package/lib/signals/addDummySignals.js.map +1 -1
- package/lib/signals/hackSignalsToXY.js +1 -1
- package/lib/signals/hackSignalsToXY.js.map +1 -1
- package/lib/signals/optimization/getInternalSignals.js +6 -6
- package/lib/signals/optimization/getInternalSignals.js.map +1 -1
- package/lib/signals/optimization/getSumOfShapes.js +1 -1
- package/lib/signals/optimization/getSumOfShapes.js.map +1 -1
- package/lib/signals/optimizeSignals.js +3 -3
- package/lib/signals/optimizeSignals.js.map +1 -1
- package/lib/signals/signals2DToZ.js +3 -2
- package/lib/signals/signals2DToZ.js.map +1 -1
- package/lib/signals/signalsJoin.js +5 -5
- package/lib/signals/signalsJoin.js.map +1 -1
- package/lib/signals/signalsToFID.js +1 -1
- package/lib/signals/signalsToFID.js.map +1 -1
- package/lib/signals/signalsToRanges.js +3 -3
- package/lib/signals/signalsToRanges.js.map +1 -1
- package/lib/signals/signalsToXY.js +3 -3
- package/lib/signals/signalsToXY.js.map +1 -1
- package/lib/signals/simulation/signalsToSpinSystem.js +2 -2
- package/lib/signals/simulation/signalsToSpinSystem.js.map +1 -1
- package/lib/signals/simulation/simulate1D.js +2 -2
- package/lib/signals/simulation/simulate1D.js.map +1 -1
- package/lib/signals/simulation/simulateXYPeaks.js +15 -17
- package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
- package/lib/signals/simulation/splitSpinSystem.js +26 -23
- package/lib/signals/simulation/splitSpinSystem.js.map +1 -1
- package/lib/signals/utils/jAnalyzer.js +38 -38
- package/lib/signals/utils/jAnalyzer.js.map +1 -1
- package/lib/types/Integrals.d.ts +1 -1
- package/lib/types/Peaks/Peaks.d.ts +1 -1
- package/lib/types/Ranges/Ranges.d.ts +1 -1
- package/lib/types/Zones/Zone.d.ts +1 -1
- package/lib/types/Zones/Zones.d.ts +1 -1
- package/lib/utilities/getFrequency.js +1 -1
- package/lib/utilities/getFrequency.js.map +1 -1
- package/lib/utilities/resurrectRange.js +1 -1
- package/lib/utilities/resurrectRange.js.map +1 -1
- package/lib/xy/xyAutoPeaksPicking.js +3 -3
- package/lib/xy/xyAutoPeaksPicking.js.map +1 -1
- package/lib/xyz/quadrature.js +6 -6
- package/lib/xyz/quadrature.js.map +1 -1
- package/lib/xyz/util/fft2d/digitalFilter.js +3 -3
- package/lib/xyz/util/fft2d/digitalFilter.js.map +1 -1
- package/lib/xyz/util/fft2d/fftDirectDimension.d.ts +1 -1
- package/lib/xyz/util/fft2d/fftDirectDimension.js +4 -3
- package/lib/xyz/util/fft2d/fftDirectDimension.js.map +1 -1
- package/lib/xyz/util/fft2d/fftIndirectDimension.js +5 -4
- package/lib/xyz/util/fft2d/fftIndirectDimension.js.map +1 -1
- package/lib/xyz/util/fft2d/removeDCOffset.js +1 -1
- package/lib/xyz/util/fft2d/removeDCOffset.js.map +1 -1
- package/lib/xyz/util/fft2d/zeroFilling.js +4 -6
- package/lib/xyz/util/fft2d/zeroFilling.js.map +1 -1
- package/lib/xyz/util/formatZone.js +3 -3
- package/lib/xyz/util/formatZone.js.map +1 -1
- package/lib/xyz/util/getMinMaxXY.d.ts +6 -0
- package/lib/xyz/util/getMinMaxXY.js +23 -0
- package/lib/xyz/util/getMinMaxXY.js.map +1 -0
- package/lib/xyz/util/padData.js +7 -7
- package/lib/xyz/util/padData.js.map +1 -1
- package/lib/xyz/xyzAutoSignalsPicking.js +19 -18
- package/lib/xyz/xyzAutoSignalsPicking.js.map +1 -1
- package/lib/xyz/xyzBidimensionalFFT.js +2 -19
- package/lib/xyz/xyzBidimensionalFFT.js.map +1 -1
- package/lib/xyz/xyzJResAnalyzer.js +21 -21
- package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
- package/lib-esm/apodization/compose.js +1 -1
- package/lib-esm/apodization/compose.js.map +1 -1
- package/lib-esm/assignment/get13CAssignments.js +3 -3
- package/lib-esm/assignment/get13CAssignments.js.map +1 -1
- package/lib-esm/assignment/get1HAssignments.js +3 -3
- package/lib-esm/assignment/get1HAssignments.js.map +1 -1
- package/lib-esm/assignment/getAssignments.js +5 -5
- package/lib-esm/assignment/getAssignments.js.map +1 -1
- package/lib-esm/assignment/utils/addSolution.js +25 -0
- package/lib-esm/assignment/utils/addSolution.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js +15 -15
- package/lib-esm/assignment/utils/generalAssignment/buildAssignments.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js +6 -6
- package/lib-esm/assignment/utils/generalAssignment/checkIDs.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js +7 -7
- package/lib-esm/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js +6 -7
- package/lib-esm/assignment/utils/generalAssignment/exploreTree.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/formatData.js +5 -5
- package/lib-esm/assignment/utils/generalAssignment/formatData.js.map +1 -0
- package/lib-esm/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js +1 -1
- package/lib-esm/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map +1 -0
- package/lib-esm/assignment/utils/generalAssignment/getWorkFlow.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js +8 -8
- package/lib-esm/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
- package/lib-esm/assignment/utils/generalAssignment/isSpectraData1D.js.map +1 -0
- package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/partialScore.js +20 -20
- package/lib-esm/assignment/utils/generalAssignment/partialScore.js.map +1 -0
- package/lib-esm/assignment/utils/generalAssignment/searchIndices.js.map +1 -0
- package/lib-esm/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js} +4 -4
- package/lib-esm/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map +1 -0
- package/lib-esm/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js} +4 -4
- package/lib-esm/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map +1 -0
- package/lib-esm/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js} +7 -8
- package/lib-esm/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map +1 -0
- package/lib-esm/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} +9 -9
- package/lib-esm/assignment/utils/oneDimensionalAssignment/partialScore.js.map +1 -0
- package/lib-esm/constants/SignalsKinds.js.map +1 -1
- package/lib-esm/constants/couplingValues.js.map +1 -1
- package/lib-esm/constants/impurities.js +2 -1
- package/lib-esm/constants/impurities.js.map +1 -1
- package/lib-esm/databases/getDatabase.js +1 -1
- package/lib-esm/databases/getDatabase.js.map +1 -1
- package/lib-esm/datum/Filters.js +4 -0
- package/lib-esm/datum/Filters.js.map +1 -1
- package/lib-esm/datum/FiltersManager.js +2 -2
- package/lib-esm/datum/FiltersManager.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/baselineCorrection.js +4 -4
- package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/digitalFilter.js +2 -2
- package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/fft.js +7 -7
- package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/phaseCorrection.js +3 -3
- package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/signalProcessing.js +1 -1
- package/lib-esm/datum/data1d/filter1d/signalProcessing.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
- package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
- package/lib-esm/datum/data1d/filter1d/zeroFilling.js +8 -8
- package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -1
- package/lib-esm/datum/data1d/utils/mapPeaks.js +1 -1
- package/lib-esm/datum/data1d/utils/mapPeaks.js.map +1 -1
- package/lib-esm/datum/data2d/filter2d/fftDimension1.js +43 -0
- package/lib-esm/datum/data2d/filter2d/fftDimension1.js.map +1 -0
- package/lib-esm/datum/data2d/filter2d/fftDimension2.js +54 -0
- package/lib-esm/datum/data2d/filter2d/fftDimension2.js.map +1 -0
- package/lib-esm/datum/data2d/utils/getShift.js +1 -1
- package/lib-esm/datum/data2d/utils/getShift.js.map +1 -1
- package/lib-esm/multiplicity/joinPatterns.js +1 -1
- package/lib-esm/multiplicity/joinPatterns.js.map +1 -1
- package/lib-esm/multiplicity/splitPatterns.js +1 -1
- package/lib-esm/multiplicity/splitPatterns.js.map +1 -1
- package/lib-esm/peaks/peaksFilterImpurities.js +7 -6
- package/lib-esm/peaks/peaksFilterImpurities.js.map +1 -1
- package/lib-esm/peaks/peaksToRanges.js +17 -17
- package/lib-esm/peaks/peaksToRanges.js.map +1 -1
- package/lib-esm/peaks/solventSuppression.js +11 -11
- package/lib-esm/peaks/solventSuppression.js.map +1 -1
- package/lib-esm/peaks/util/addMissingIDs.js.map +1 -1
- package/lib-esm/peaks/util/determineRealTop.js +32 -32
- package/lib-esm/peaks/util/determineRealTop.js.map +1 -1
- package/lib-esm/peaks/util/getKernel.js +4 -4
- package/lib-esm/peaks/util/getKernel.js.map +1 -1
- package/lib-esm/peaks/util/peakOptimizer.js +17 -17
- package/lib-esm/peaks/util/peakOptimizer.js.map +1 -1
- package/lib-esm/peaks/util/setIDs.js.map +1 -1
- package/lib-esm/prediction/predictAll.js +2 -1
- package/lib-esm/prediction/predictAll.js.map +1 -1
- package/lib-esm/prediction/predictCOSY.js +1 -1
- package/lib-esm/prediction/predictCOSY.js.map +1 -1
- package/lib-esm/prediction/predictCarbon.js +6 -6
- package/lib-esm/prediction/predictCarbon.js.map +1 -1
- package/lib-esm/prediction/predictHMBC.js +1 -1
- package/lib-esm/prediction/predictHMBC.js.map +1 -1
- package/lib-esm/prediction/predictHSQC.js +1 -1
- package/lib-esm/prediction/predictHSQC.js.map +1 -1
- package/lib-esm/prediction/predictProton.js +9 -9
- package/lib-esm/prediction/predictProton.js.map +1 -1
- package/lib-esm/prediction/utils/getFilteredIDiaIDs.js +3 -3
- package/lib-esm/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
- package/lib-esm/prediction/utils/getNuclei.js.map +1 -1
- package/lib-esm/prediction/utils/predict2D.js +17 -17
- package/lib-esm/prediction/utils/predict2D.js.map +1 -1
- package/lib-esm/prediction/utils/queryByHOSE.js +1 -1
- package/lib-esm/prediction/utils/queryByHOSE.js.map +1 -1
- package/lib-esm/ranges/markSolventSignal.js +8 -8
- package/lib-esm/ranges/markSolventSignal.js.map +1 -1
- package/lib-esm/ranges/rangesToACS.js +6 -6
- package/lib-esm/ranges/rangesToACS.js.map +1 -1
- package/lib-esm/ranges/rangesToXY.js +6 -6
- package/lib-esm/ranges/rangesToXY.js.map +1 -1
- package/lib-esm/signal/signalJoinCouplings.js +19 -12
- package/lib-esm/signal/signalJoinCouplings.js.map +1 -1
- package/lib-esm/signal/signalMultiplicityPattern.js +2 -2
- package/lib-esm/signal/signalMultiplicityPattern.js.map +1 -1
- package/lib-esm/signals/addDummySignals.js +4 -4
- package/lib-esm/signals/addDummySignals.js.map +1 -1
- package/lib-esm/signals/hackSignalsToXY.js +1 -1
- package/lib-esm/signals/hackSignalsToXY.js.map +1 -1
- package/lib-esm/signals/optimization/getInternalSignals.js +6 -6
- package/lib-esm/signals/optimization/getInternalSignals.js.map +1 -1
- package/lib-esm/signals/optimization/getSumOfShapes.js +1 -1
- package/lib-esm/signals/optimization/getSumOfShapes.js.map +1 -1
- package/lib-esm/signals/optimizeSignals.js +3 -3
- package/lib-esm/signals/optimizeSignals.js.map +1 -1
- package/lib-esm/signals/signals2DToZ.js +3 -2
- package/lib-esm/signals/signals2DToZ.js.map +1 -1
- package/lib-esm/signals/signalsJoin.js +5 -5
- package/lib-esm/signals/signalsJoin.js.map +1 -1
- package/lib-esm/signals/signalsToFID.js +1 -1
- package/lib-esm/signals/signalsToFID.js.map +1 -1
- package/lib-esm/signals/signalsToRanges.js +3 -3
- package/lib-esm/signals/signalsToRanges.js.map +1 -1
- package/lib-esm/signals/signalsToXY.js +3 -3
- package/lib-esm/signals/signalsToXY.js.map +1 -1
- package/lib-esm/signals/simulation/signalsToSpinSystem.js +2 -2
- package/lib-esm/signals/simulation/signalsToSpinSystem.js.map +1 -1
- package/lib-esm/signals/simulation/simulate1D.js +2 -2
- package/lib-esm/signals/simulation/simulate1D.js.map +1 -1
- package/lib-esm/signals/simulation/simulateXYPeaks.js +15 -17
- package/lib-esm/signals/simulation/simulateXYPeaks.js.map +1 -1
- package/lib-esm/signals/simulation/splitSpinSystem.js +26 -23
- package/lib-esm/signals/simulation/splitSpinSystem.js.map +1 -1
- package/lib-esm/signals/utils/jAnalyzer.js +38 -38
- package/lib-esm/signals/utils/jAnalyzer.js.map +1 -1
- package/lib-esm/utilities/getFrequency.js +1 -1
- package/lib-esm/utilities/getFrequency.js.map +1 -1
- package/lib-esm/utilities/resurrectRange.js +1 -1
- package/lib-esm/utilities/resurrectRange.js.map +1 -1
- package/lib-esm/xy/xyAutoPeaksPicking.js +3 -3
- package/lib-esm/xy/xyAutoPeaksPicking.js.map +1 -1
- package/lib-esm/xyz/quadrature.js +6 -6
- package/lib-esm/xyz/quadrature.js.map +1 -1
- package/lib-esm/xyz/util/fft2d/digitalFilter.js +3 -3
- package/lib-esm/xyz/util/fft2d/digitalFilter.js.map +1 -1
- package/lib-esm/xyz/util/fft2d/fftDirectDimension.js +4 -3
- package/lib-esm/xyz/util/fft2d/fftDirectDimension.js.map +1 -1
- package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js +5 -4
- package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js.map +1 -1
- package/lib-esm/xyz/util/fft2d/removeDCOffset.js +1 -1
- package/lib-esm/xyz/util/fft2d/removeDCOffset.js.map +1 -1
- package/lib-esm/xyz/util/fft2d/zeroFilling.js +4 -6
- package/lib-esm/xyz/util/fft2d/zeroFilling.js.map +1 -1
- package/lib-esm/xyz/util/formatZone.js +3 -3
- package/lib-esm/xyz/util/formatZone.js.map +1 -1
- package/lib-esm/xyz/util/getMinMaxXY.js +19 -0
- package/lib-esm/xyz/util/getMinMaxXY.js.map +1 -0
- package/lib-esm/xyz/util/padData.js +7 -7
- package/lib-esm/xyz/util/padData.js.map +1 -1
- package/lib-esm/xyz/xyzAutoSignalsPicking.js +19 -18
- package/lib-esm/xyz/xyzAutoSignalsPicking.js.map +1 -1
- package/lib-esm/xyz/xyzBidimensionalFFT.js +1 -18
- package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -1
- package/lib-esm/xyz/xyzJResAnalyzer.js +21 -21
- package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
- package/package.json +5 -5
- package/src/apodization/compose.ts +1 -1
- package/src/assignment/get13CAssignments.ts +6 -3
- package/src/assignment/get1HAssignments.ts +7 -6
- package/src/assignment/getAssignments.ts +7 -7
- package/src/assignment/nmrAssigment.ts +2 -2
- package/src/assignment/utils/addSolution.ts +45 -0
- package/src/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.ts +29 -36
- package/src/assignment/utils/{getAssignment → generalAssignment}/checkIDs.ts +6 -6
- package/src/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.ts +10 -14
- package/src/assignment/utils/{getAssignment → generalAssignment}/exploreTree.ts +7 -8
- package/src/assignment/utils/{getAssignment → generalAssignment}/formatData.ts +5 -5
- package/src/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.ts +3 -5
- package/src/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.ts +2 -5
- package/src/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.ts +8 -8
- package/src/assignment/utils/{getAssignment → generalAssignment}/partialScore.ts +25 -29
- package/src/assignment/utils/{buildAssignments.ts → oneDimensionalAssignment/buildAssignments.ts} +6 -8
- package/src/assignment/utils/{createMapPossibleAssignments.ts → oneDimensionalAssignment/createMapPossibleAssignments.ts} +9 -9
- package/src/assignment/utils/{exploreTreeRec.ts → oneDimensionalAssignment/exploreTreeRec.ts} +8 -9
- package/src/assignment/utils/{partialScore.ts → oneDimensionalAssignment/partialScore.ts} +10 -12
- package/src/constants/SignalsKinds.ts +1 -1
- package/src/constants/couplingValues.ts +1 -1
- package/src/constants/impurities.ts +14 -15
- package/src/databases/getDatabase.ts +1 -1
- package/src/datum/Filters.ts +4 -0
- package/src/datum/FiltersManager.ts +3 -3
- package/src/datum/MatrixOptions.ts +1 -1
- package/src/datum/data1d/Entry1D.ts +1 -1
- package/src/datum/data1d/filter1d/baselineCorrection.ts +4 -4
- package/src/datum/data1d/filter1d/digitalFilter.ts +2 -2
- package/src/datum/data1d/filter1d/fft.ts +7 -7
- package/src/datum/data1d/filter1d/phaseCorrection.ts +3 -3
- package/src/datum/data1d/filter1d/signalProcessing.ts +1 -1
- package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +2 -2
- package/src/datum/data1d/filter1d/zeroFilling.ts +10 -9
- package/src/datum/data1d/utils/mapPeaks.ts +1 -1
- package/src/datum/data2d/Entry2D.ts +1 -1
- package/src/datum/data2d/filter2d/fftDimension1.ts +61 -0
- package/src/datum/data2d/filter2d/fftDimension2.ts +72 -0
- package/src/datum/data2d/utils/getShift.ts +1 -1
- package/src/ml-tree-set.d.ts +1 -1
- package/src/multiplicity/joinPatterns.ts +3 -1
- package/src/multiplicity/splitPatterns.ts +1 -1
- package/src/peaks/peaksFilterImpurities.ts +7 -6
- package/src/peaks/peaksToRanges.ts +19 -18
- package/src/peaks/solventSuppression.ts +11 -11
- package/src/peaks/util/addMissingIDs.ts +1 -1
- package/src/peaks/util/determineRealTop.ts +32 -32
- package/src/peaks/util/getKernel.ts +4 -4
- package/src/peaks/util/peakOptimizer.ts +17 -17
- package/src/peaks/util/setIDs.ts +6 -4
- package/src/prediction/dataStructure.ts +1 -3
- package/src/prediction/predictAll.ts +3 -2
- package/src/prediction/predictCOSY.ts +1 -1
- package/src/prediction/predictCarbon.ts +6 -6
- package/src/prediction/predictHMBC.ts +1 -1
- package/src/prediction/predictHSQC.ts +1 -1
- package/src/prediction/predictProton.ts +9 -9
- package/src/prediction/utils/getFilteredIDiaIDs.ts +3 -3
- package/src/prediction/utils/getNuclei.ts +2 -2
- package/src/prediction/utils/predict2D.ts +21 -25
- package/src/prediction/utils/queryByHOSE.ts +1 -1
- package/src/ranges/markSolventSignal.ts +8 -8
- package/src/ranges/rangesToACS.ts +6 -6
- package/src/ranges/rangesToXY.ts +6 -6
- package/src/signal/signalJoinCouplings.ts +22 -16
- package/src/signal/signalMultiplicityPattern.ts +2 -2
- package/src/signals/addDummySignals.ts +4 -4
- package/src/signals/hackSignalsToXY.ts +1 -1
- package/src/signals/optimization/getInternalSignals.ts +6 -6
- package/src/signals/optimization/getSumOfShapes.ts +1 -1
- package/src/signals/optimizeSignals.ts +3 -3
- package/src/signals/signals2DToZ.ts +4 -8
- package/src/signals/signalsJoin.ts +5 -5
- package/src/signals/signalsToFID.ts +1 -1
- package/src/signals/signalsToRanges.ts +3 -3
- package/src/signals/signalsToXY.ts +3 -3
- package/src/signals/simulation/signalsToSpinSystem.ts +3 -5
- package/src/signals/simulation/simulate1D.ts +2 -2
- package/src/signals/simulation/simulateXYPeaks.ts +16 -17
- package/src/signals/simulation/splitSpinSystem.ts +28 -25
- package/src/signals/utils/jAnalyzer.ts +38 -38
- package/src/types/Integrals.ts +1 -1
- package/src/types/Peaks/Peaks.ts +1 -1
- package/src/types/Ranges/Ranges.ts +1 -1
- package/src/types/Zones/Zone.ts +1 -1
- package/src/types/Zones/Zones.ts +1 -1
- package/src/utilities/getFrequency.ts +1 -1
- package/src/utilities/resurrectRange.ts +1 -1
- package/src/xy/xyAutoPeaksPicking.ts +3 -3
- package/src/xyz/quadrature.ts +6 -6
- package/src/xyz/util/fft2d/digitalFilter.ts +3 -3
- package/src/xyz/util/fft2d/fftDirectDimension.ts +4 -7
- package/src/xyz/util/fft2d/fftIndirectDimension.ts +6 -8
- package/src/xyz/util/fft2d/removeDCOffset.ts +1 -1
- package/src/xyz/util/fft2d/zeroFilling.ts +5 -6
- package/src/xyz/util/formatZone.ts +3 -3
- package/src/xyz/util/getMinMaxXY.ts +19 -0
- package/src/xyz/util/padData.ts +7 -7
- package/src/xyz/xyzAutoSignalsPicking.ts +20 -19
- package/src/xyz/xyzBidimensionalFFT.ts +1 -20
- package/src/xyz/xyzJResAnalyzer.ts +21 -21
- package/lib/assignment/utils/buildAssignments.js.map +0 -1
- package/lib/assignment/utils/createMapPossibleAssignments.js.map +0 -1
- package/lib/assignment/utils/exploreTreeRec.js.map +0 -1
- package/lib/assignment/utils/getAssignment/buildAssignments.js.map +0 -1
- package/lib/assignment/utils/getAssignment/checkIDs.js.map +0 -1
- package/lib/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +0 -1
- package/lib/assignment/utils/getAssignment/exploreTree.js.map +0 -1
- package/lib/assignment/utils/getAssignment/formatData.js.map +0 -1
- package/lib/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +0 -1
- package/lib/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +0 -1
- package/lib/assignment/utils/getAssignment/getWorkFlow.js.map +0 -1
- package/lib/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +0 -1
- package/lib/assignment/utils/getAssignment/isSpectraData1D.js.map +0 -1
- package/lib/assignment/utils/getAssignment/partialScore.js.map +0 -1
- package/lib/assignment/utils/getAssignment/searchIndices.js.map +0 -1
- package/lib/assignment/utils/partialScore.js.map +0 -1
- package/lib-esm/assignment/utils/buildAssignments.js.map +0 -1
- package/lib-esm/assignment/utils/createMapPossibleAssignments.js.map +0 -1
- package/lib-esm/assignment/utils/exploreTreeRec.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/checkIDs.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/exploreTree.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/formatData.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/getWorkFlow.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/isSpectraData1D.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/partialScore.js.map +0 -1
- package/lib-esm/assignment/utils/getAssignment/searchIndices.js.map +0 -1
- package/lib-esm/assignment/utils/partialScore.js.map +0 -1
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/checkIDs.d.ts +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/formatData.d.ts +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.d.ts +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.js +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.js +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.d.ts +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.d.ts +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.js +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/searchIndices.d.ts +0 -0
- /package/lib/assignment/utils/{getAssignment → generalAssignment}/searchIndices.js +0 -0
- /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.js +0 -0
- /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.js +0 -0
- /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.js +0 -0
- /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/searchIndices.js +0 -0
- /package/src/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.ts +0 -0
- /package/src/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.ts +0 -0
- /package/src/assignment/utils/{getAssignment → generalAssignment}/searchIndices.ts +0 -0
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{"version":3,"file":"createMapPossibleAssignments.js","sourceRoot":"","sources":["../../../../src/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.ts"],"names":[],"mappings":"AAqBA,MAAM,UAAU,4BAA4B,CAC1C,KAAmC;IAEnC,MAAM,EAAE,eAAe,EAAE,WAAW,EAAE,OAAO,EAAE,yBAAyB,EAAE,GACxE,KAAK,CAAC;IAER,MAAM,EAAE,SAAS,EAAE,WAAW,EAAE,wBAAwB,EAAE,GAAG,eAAe,CAAC;IAE7E,MAAM,QAAQ,GAAG,IAAI,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC;IACvC,MAAM,SAAS,GAA0B,EAAE,CAAC;IAC5C,KAAK,MAAM,KAAK,IAAI,WAAW,EAAE;QAC/B,MAAM,UAAU,GAAG,WAAW,CAAC,KAAK,CAAC,CAAC;QACtC,IAAI,UAAU,CAAC,KAAK;YAAE,UAAU,CAAC,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC;QACpE,SAAS,CAAC,KAAK,CAAC,GAAG,EAAE,CAAC;QAEtB,IAAI,OAAO,EAAE;YACX,KAAK,MAAM,QAAQ,IAAI,OAAO,EAAE;gBAC9B,MAAM,MAAM,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;gBACjC,MAAM,EAAE,OAAO,EAAE,GAAG,UAAU,CAAC;gBAC/B,MAAM,EAAE,WAAW,EAAE,GAAG,MAAM,CAAC;gBAE/B,MAAM,eAAe,GAAG,yBAAyB;oBAC/C,CAAC,CAAC,WAAW,GAAG,CAAC;wBACf,CAAC,CAAC,OAAO,GAAG,WAAW,GAAG,CAAC;wBAC3B,CAAC,CAAC,IAAI;oBACR,CAAC,CAAC,IAAI,CAAC;gBAET,IAAI,eAAe,EAAE;oBACnB,IACE,CAAC,wBAAwB;wBACzB,OAAO,UAAU,CAAC,KAAK,KAAK,WAAW,EACvC;wBACA,sCAAsC;wBACtC,SAAS,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;qBACjC;yBAAM;wBACL,IAAI,KAAK,GAAG,QAAQ,CAAC;wBACrB,IAAI,UAAU,CAAC,KAAK,EAAE;4BACpB,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC;yBAC3C;wBACD,MAAM,KAAK,GACT,MAAM,CAAC,OAAO,IAAI,MAAM,CAAC,OAAO,CAAC,MAAM,GAAG,CAAC;4BACzC,CAAC,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,KAAK;4BACzB,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAEpC,MAAM,cAAc,GAAG,IAAI,CAAC,GAAG,CAC7B,UAAU,CAAC,KAAK,GAAG,KAAK,GAAG,QAAQ,CACpC,CAAC;wBACF,IAAI,cAAc,GAAG,CAAC,GAAG,QAAQ,EAAE;4BACjC,SAAS,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;yBACjC;qBACF;iBACF;aACF;SACF;QACD,SAAS,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;KAC5B;IACD,OAAO,SAAS,CAAC;AACnB,CAAC"}
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package/lib-esm/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js}
RENAMED
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49
|
-
score /= doubleAssignmentPenalty(partial, predictions);
|
|
48
|
+
const { score, maxSolutions, partial, predictions } = props;
|
|
50
49
|
store.nSolutions++;
|
|
51
|
-
|
|
50
|
+
const solution = {
|
|
52
51
|
assignment: JSON.parse(JSON.stringify(partial)),
|
|
53
|
-
score,
|
|
52
|
+
score: score / doubleAssignmentPenalty(partial, predictions),
|
|
54
53
|
};
|
|
55
54
|
if (store.nSolutions >= maxSolutions) {
|
|
56
55
|
if (solution.score > store.solutions.last().score) {
|
|
@@ -65,8 +64,8 @@ function addSolution(store, props) {
|
|
|
65
64
|
}
|
|
66
65
|
function doubleAssignmentPenalty(partial, predictions) {
|
|
67
66
|
const nbSources = Object.keys(predictions).length;
|
|
68
|
-
|
|
69
|
-
|
|
67
|
+
const assignments = new Set(partial);
|
|
68
|
+
const nbDoubleAssignment = nbSources - assignments.size;
|
|
70
69
|
return nbDoubleAssignment > 0 ? 2 * nbDoubleAssignment : 1;
|
|
71
70
|
}
|
|
72
71
|
//# sourceMappingURL=exploreTreeRec.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"exploreTreeRec.js","sourceRoot":"","sources":["../../../../src/assignment/utils/oneDimensionalAssignment/exploreTreeRec.ts"],"names":[],"mappings":"AAQA,OAAO,EAAE,YAAY,EAAE,MAAM,gBAAgB,CAAC;AAgB9C,MAAM,UAAU,cAAc,CAC5B,KAA0B,EAC1B,YAAoB,EACpB,OAA6B,EAC7B,KAAuB;IAEvB,MAAM,EACJ,QAAQ,EACR,eAAe,EACf,OAAO,EACP,SAAS,EACT,YAAY,EACZ,OAAO,EACP,WAAW,EACX,eAAe,EACf,mBAAmB,EACnB,qBAAqB,EACrB,yBAAyB,EACzB,2BAA2B,GAC5B,GAAG,KAAK,CAAC;IAEV,IAAI,IAAI,CAAC,GAAG,EAAE,GAAG,SAAS,GAAG,OAAO,EAAE;QACpC,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;QAC7B,OAAO,KAAK,CAAC;KACd;IAED,MAAM,KAAK,GAAG,2BAA2B,CAAC,YAAY,CAAC,CAAC;IACxD,MAAM,mBAAmB,GAAG,qBAAqB,CAAC,KAAK,CAAC,CAAC;IACzD,KAAK,MAAM,QAAQ,IAAI,mBAAmB,EAAE;QAC1C,OAAO,CAAC,YAAY,CAAC,GAAG,QAAQ,CAAC;QACjC,MAAM,KAAK,GAAG,YAAY,CAAC,OAAO,EAAE;YAClC,yBAAyB;YACzB,2BAA2B;YAC3B,mBAAmB;YACnB,eAAe;YACf,WAAW;YACX,OAAO;SACR,CAAC,CAAC;QAEH,IAAI,KAAK,KAAK,CAAC,EAAE;YACf,IAAI,QAAQ,KAAK,GAAG,EAAE;gBACpB,OAAO,CAAC,YAAY,CAAC,GAAG,IAAI,CAAC;aAC9B;YACD,SAAS;SACV;QAED,IAAI,YAAY,KAAK,QAAQ,GAAG,CAAC,IAAI,KAAK,IAAI,eAAe,EAAE;YAC7D,WAAW,CAAC,KAAK,EAAE,EAAE,WAAW,EAAE,OAAO,EAAE,KAAK,EAAE,YAAY,EAAE,CAAC,CAAC;SACnE;aAAM,IAAI,YAAY,GAAG,QAAQ,GAAG,CAAC,EAAE;YACtC,cAAc,CACZ;gBACE,QAAQ;gBACR,eAAe;gBACf,OAAO;gBACP,SAAS;gBACT,YAAY;gBACZ,OAAO;gBACP,WAAW;gBACX,eAAe;gBACf,mBAAmB;gBACnB,qBAAqB;gBACrB,yBAAyB;gBACzB,2BAA2B;aAC5B,EACD,YAAY,GAAG,CAAC,EAChB,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC,EACnC,KAAK,CACN,CAAC;SACH;KACF;AACH,CAAC;AAcD,SAAS,WAAW,CAAC,KAAuB,EAAE,KAAuB;IACnE,MAAM,EAAE,KAAK,EAAE,YAAY,EAAE,OAAO,EAAE,WAAW,EAAE,GAAG,KAAK,CAAC;IAC5D,KAAK,CAAC,UAAU,EAAE,CAAC;IACnB,MAAM,QAAQ,GAAuB;QACnC,UAAU,EAAE,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC;QAC/C,KAAK,EAAE,KAAK,GAAG,uBAAuB,CAAC,OAAO,EAAE,WAAW,CAAC;KAC7D,CAAC;IAEF,IAAI,KAAK,CAAC,UAAU,IAAI,YAAY,EAAE;QACpC,IAAI,QAAQ,CAAC,KAAK,GAAG,KAAK,CAAC,SAAS,CAAC,IAAI,EAAE,CAAC,KAAK,EAAE;YACjD,KAAK,CAAC,SAAS,CAAC,QAAQ,EAAE,CAAC;YAC3B,KAAK,CAAC,SAAS,CAAC,GAAG,CAAC,QAAQ,CAAC,CAAC;SAC/B;KACF;SAAM;QACL,KAAK,CAAC,SAAS,CAAC,GAAG,CAAC,QAAQ,CAAC,CAAC;QAC9B,KAAK,CAAC,UAAU,EAAE,CAAC;KACpB;AACH,CAAC;AAED,SAAS,uBAAuB,CAC9B,OAA6B,EAC7B,WAAqC;IAErC,MAAM,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,WAAW,CAAC,CAAC,MAAM,CAAC;IAClD,MAAM,WAAW,GAAG,IAAI,GAAG,CAAC,OAAO,CAAC,CAAC;IACrC,MAAM,kBAAkB,GAAG,SAAS,GAAG,WAAW,CAAC,IAAI,CAAC;IACxD,OAAO,kBAAkB,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,kBAAkB,CAAC,CAAC,CAAC,CAAC,CAAC;AAC7D,CAAC"}
|
package/lib-esm/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js}
RENAMED
|
@@ -2,9 +2,9 @@ export function partialScore(partial, options) {
|
|
|
2
2
|
const { useIntegrationRestriction, diaIDPeerPossibleAssignment, nbAllowedUnAssigned, restrictionByCS, predictions, targets, } = options;
|
|
3
3
|
const { useChemicalShiftScore } = restrictionByCS;
|
|
4
4
|
let countStars = 0;
|
|
5
|
-
|
|
6
|
-
|
|
7
|
-
|
|
5
|
+
const totalPartial = partial.length;
|
|
6
|
+
const partialInverse = {};
|
|
7
|
+
const activeDomainOnPrediction = [];
|
|
8
8
|
for (let i = 0; i < partial.length; i++) {
|
|
9
9
|
const targetID = partial[i];
|
|
10
10
|
if (targetID && targetID !== '*') {
|
|
@@ -24,8 +24,8 @@ export function partialScore(partial, options) {
|
|
|
24
24
|
return 0;
|
|
25
25
|
}
|
|
26
26
|
if (useIntegrationRestriction) {
|
|
27
|
-
for (
|
|
28
|
-
|
|
27
|
+
for (const targetID of activeDomainOnTarget) {
|
|
28
|
+
const targetToSource = partialInverse[targetID];
|
|
29
29
|
let total = 0;
|
|
30
30
|
for (const diaID of targetToSource) {
|
|
31
31
|
const prediction = predictions[diaID];
|
|
@@ -38,7 +38,7 @@ export function partialScore(partial, options) {
|
|
|
38
38
|
}
|
|
39
39
|
}
|
|
40
40
|
//chemical shift score
|
|
41
|
-
|
|
41
|
+
const chemicalShiftScore = useChemicalShiftScore
|
|
42
42
|
? chemicalShiftScoring(partial, options)
|
|
43
43
|
: 1;
|
|
44
44
|
const penaltyByStarts = countStars / totalPartial;
|
|
@@ -53,9 +53,9 @@ function chemicalShiftScoring(partial, options) {
|
|
|
53
53
|
const targetID = partial[index];
|
|
54
54
|
if (targetID && targetID !== '*') {
|
|
55
55
|
count++;
|
|
56
|
-
|
|
57
|
-
|
|
58
|
-
|
|
56
|
+
const diaID = diaIDPeerPossibleAssignment[index];
|
|
57
|
+
const source = predictions[diaID];
|
|
58
|
+
const target = targets[targetID];
|
|
59
59
|
let error = tolerance;
|
|
60
60
|
if (source.error) {
|
|
61
61
|
error = Math.max(source.error, tolerance);
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"partialScore.js","sourceRoot":"","sources":["../../../../src/assignment/utils/oneDimensionalAssignment/partialScore.ts"],"names":[],"mappings":"AAoBA,MAAM,UAAU,YAAY,CAC1B,OAA6B,EAC7B,OAA4B;IAE5B,MAAM,EACJ,yBAAyB,EACzB,2BAA2B,EAC3B,mBAAmB,EACnB,eAAe,EACf,WAAW,EACX,OAAO,GACR,GAAG,OAAO,CAAC;IACZ,MAAM,EAAE,qBAAqB,EAAE,GAAG,eAAe,CAAC;IAClD,IAAI,UAAU,GAAG,CAAC,CAAC;IACnB,MAAM,YAAY,GAAG,OAAO,CAAC,MAAM,CAAC;IACpC,MAAM,cAAc,GAA6B,EAAE,CAAC;IACpD,MAAM,wBAAwB,GAAa,EAAE,CAAC;IAE9C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACvC,MAAM,QAAQ,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAI,QAAQ,IAAI,QAAQ,KAAK,GAAG,EAAE;YAChC,wBAAwB,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;YACjC,IAAI,CAAC,cAAc,CAAC,QAAQ,CAAC,EAAE;gBAC7B,cAAc,CAAC,QAAQ,CAAC,GAAG,EAAE,CAAC;aAC/B;YACD,cAAc,CAAC,QAAQ,CAAC,CAAC,IAAI,CAAC,2BAA2B,CAAC,CAAC,CAAC,CAAC,CAAC;SAC/D;QACD,IAAI,QAAQ,KAAK,GAAG;YAAE,UAAU,EAAE,CAAC;KACpC;IACD,IAAI,UAAU,GAAG,mBAAmB;QAAE,OAAO,CAAC,CAAC;IAE/C,MAAM,oBAAoB,GAAG,MAAM,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;IAEzD,IAAI,oBAAoB,CAAC,MAAM,KAAK,CAAC,EAAE;QACrC,OAAO,CAAC,CAAC;KACV;IAED,IAAI,yBAAyB,EAAE;QAC7B,KAAK,MAAM,QAAQ,IAAI,oBAAoB,EAAE;YAC3C,MAAM,cAAc,GAAG,cAAc,CAAC,QAAQ,CAAC,CAAC;YAChD,IAAI,KAAK,GAAG,CAAC,CAAC;YACd,KAAK,MAAM,KAAK,IAAI,cAAc,EAAE;gBAClC,MAAM,UAAU,GAAG,WAAW,CAAC,KAAK,CAAC,CAAC;gBACtC,KAAK,IAAI,UAAU,CAAC,YAAY,CAAC;aAClC;YAED,MAAM,EAAE,WAAW,EAAE,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YAC1C,IAAI,KAAK,GAAG,WAAW,IAAI,GAAG,EAAE;gBAC9B,OAAO,CAAC,CAAC;aACV;SACF;KACF;IAED,sBAAsB;IACtB,MAAM,kBAAkB,GAAG,qBAAqB;QAC9C,CAAC,CAAC,oBAAoB,CAAC,OAAO,EAAE,OAAO,CAAC;QACxC,CAAC,CAAC,CAAC,CAAC;IAEN,MAAM,eAAe,GAAG,UAAU,GAAG,YAAY,CAAC;IAElD,OAAO,kBAAkB,GAAG,eAAe,CAAC;AAC9C,CAAC;AAED,SAAS,oBAAoB,CAC3B,OAA6B,EAC7B,OAA4B;IAE5B,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC,eAAe,CAAC;IAC9C,MAAM,EAAE,2BAA2B,EAAE,WAAW,EAAE,OAAO,EAAE,GAAG,OAAO,CAAC;IAEtE,IAAI,kBAAkB,GAAG,CAAC,CAAC;IAC3B,IAAI,KAAK,GAAG,CAAC,CAAC;IACd,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,OAAO,CAAC,MAAM,EAAE,KAAK,EAAE,EAAE;QACnD,MAAM,QAAQ,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC;QAChC,IAAI,QAAQ,IAAI,QAAQ,KAAK,GAAG,EAAE;YAChC,KAAK,EAAE,CAAC;YACR,MAAM,KAAK,GAAG,2BAA2B,CAAC,KAAK,CAAC,CAAC;YACjD,MAAM,MAAM,GAAG,WAAW,CAAC,KAAK,CAAC,CAAC;YAClC,MAAM,MAAM,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YACjC,IAAI,KAAK,GAAG,SAAS,CAAC;YACtB,IAAI,MAAM,CAAC,KAAK,EAAE;gBAChB,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,CAAC,KAAK,EAAE,SAAS,CAAC,CAAC;aAC3C;YACD,IAAI,OAAO,MAAM,CAAC,KAAK,KAAK,WAAW,EAAE;gBACvC,sCAAsC;gBACtC,kBAAkB,IAAI,CAAC,CAAC;aACzB;iBAAM;gBACL,MAAM,KAAK,GACT,MAAM,CAAC,OAAO,IAAI,MAAM,CAAC,OAAO,CAAC,MAAM,GAAG,CAAC;oBACzC,CAAC,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,KAAK;oBACzB,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;gBACpC,IAAI,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,MAAM,CAAC,KAAK,GAAG,KAAK,CAAC,CAAC;gBAC1C,IAAI,IAAI,GAAG,KAAK,EAAE;oBAChB,kBAAkB,IAAI,CAAC,CAAC;iBACzB;qBAAM;oBACL,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,GAAG,KAAK,CAAC,CAAC;oBAC9B,kBAAkB,IAAI,CAAC,CAAC,IAAI,GAAG,KAAK,CAAC,GAAG,IAAI,GAAG,CAAC,CAAC;iBAClD;aACF;SACF;KACF;IACD,IAAI,KAAK,GAAG,CAAC,EAAE;QACb,kBAAkB,IAAI,KAAK,CAAC;KAC7B;IACD,OAAO,kBAAkB,CAAC;AAC5B,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"SignalsKinds.js","sourceRoot":"","sources":["../../src/constants/SignalsKinds.ts"],"names":[],"mappings":"AAAA,MAAM,CAAC,MAAM,WAAW,
|
|
1
|
+
{"version":3,"file":"SignalsKinds.js","sourceRoot":"","sources":["../../src/constants/SignalsKinds.ts"],"names":[],"mappings":"AAAA,MAAM,CAAC,MAAM,WAAW,GAA4C;IAClE;QACE,KAAK,EAAE,QAAQ;QACf,KAAK,EAAE,QAAQ;KAChB;IACD;QACE,KAAK,EAAE,WAAW;QAClB,KAAK,EAAE,WAAW;KACnB;IACD;QACE,KAAK,EAAE,SAAS;QAChB,KAAK,EAAE,SAAS;KACjB;IACD;QACE,KAAK,EAAE,UAAU;QACjB,KAAK,EAAE,UAAU;KAClB;IACD;QACE,KAAK,EAAE,UAAU;QACjB,KAAK,EAAE,UAAU;KAClB;IACD;QACE,KAAK,EAAE,IAAI;QACX,KAAK,EAAE,IAAI;KACZ;IACD;QACE,KAAK,EAAE,IAAI;QACX,KAAK,EAAE,IAAI;KACZ;IACD;QACE,KAAK,EAAE,IAAI;QACX,KAAK,EAAE,IAAI;KACZ;CACF,CAAC;AAEF,MAAM,CAAC,MAAM,oBAAoB,GAAG,CAAC,QAAQ,CAAC,CAAC;AAC/C,MAAM,CAAC,MAAM,SAAS,GAAG,EAAE,MAAM,EAAE,QAAQ,EAAE,KAAK,EAAE,OAAO,EAAE,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"couplingValues.js","sourceRoot":"","sources":["../../src/constants/couplingValues.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,oBAAoB,EAAE,MAAM,wBAAwB,CAAC;AAE9D,MAAM,MAAM,
|
|
1
|
+
{"version":3,"file":"couplingValues.js","sourceRoot":"","sources":["../../src/constants/couplingValues.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,oBAAoB,EAAE,MAAM,wBAAwB,CAAC;AAE9D,MAAM,MAAM,GAA2B,EAAE,CAAC;AAC1C,KAAK,MAAM,EAAE,KAAK,EAAE,YAAY,EAAE,KAAK,EAAE,IAAI,oBAAoB,EAAE;IACjE,IAAI,YAAY;QAAE,MAAM,CAAC,KAAK,CAAC,GAAG,YAAY,GAAG,CAAC,CAAC;IACnD,KAAK,MAAM,IAAI,IAAI,KAAK,EAAE;QACxB,IAAI,YAAY;YAAE,MAAM,CAAC,IAAI,CAAC,GAAG,YAAY,GAAG,CAAC,CAAC;KACnD;CACF;AACD,MAAM,CAAC,MAAM,cAAc,GAAG,MAAM,CAAC"}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/* eslint-disable camelcase */
|
|
2
|
-
|
|
2
|
+
const impuritiesContent = {
|
|
3
3
|
cdcl3: {
|
|
4
4
|
tms: [
|
|
5
5
|
{
|
|
@@ -3130,4 +3130,5 @@ export const impurities = {
|
|
|
3130
3130
|
],
|
|
3131
3131
|
},
|
|
3132
3132
|
};
|
|
3133
|
+
export const impurities = impuritiesContent;
|
|
3133
3134
|
//# sourceMappingURL=impurities.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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ACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,QAAQ;gBAChB,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,mBAAmB,EAAE;YACnB;gBACE,MAAM,EAAE,OAAO;gBACf,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,QAAQ;gBAChB,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,QAAQ;gBAChB,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,eAAe,EAAE;YACf;gBACE,MAAM,EAAE,IAAI;gBACZ,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,UAAU,EAAE,EAAE;QACd,UAAU,EAAE,EAAE;QACd,KAAK,EAAE;YACL;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,GAAG;gBACb,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,QAAQ,EAAE;YACR;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,YAAY,EAAE;YACZ;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,GAAG;aACX;SACF;QACD,WAAW,EAAE;YACX;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,GAAG;aACX;SACF;QACD,YAAY,EAAE;YACZ;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,IAAI;gBACZ,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,KAAK;gBACnB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,QAAQ,EAAE;YACR;gBACE,MAAM,EAAE,OAAO;gBACf,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,OAAO;gBACf,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,OAAO;gBACf,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,gBAAgB,EAAE,EAAE;QACpB,eAAe,EAAE;YACf;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,MAAM;gBACd,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;QACD,OAAO,EAAE,EAAE;QACX,aAAa,EAAE;YACb;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;YACD;gBACE,MAAM,EAAE,KAAK;gBACb,QAAQ,EAAE,CAAC;gBACX,YAAY,EAAE,GAAG;gBACjB,KAAK,EAAE,IAAI;aACZ;SACF;KACF;CACF,CAAC;AAaF,MAAM,CAAC,MAAM,UAAU,GAAsB,iBAAiB,CAAC"}
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|
@@ -18,7 +18,7 @@ export async function getDatabase(url = 'https://docs.google.com/spreadsheets/d/
|
|
|
18
18
|
throw new Error('unknown database format');
|
|
19
19
|
}
|
|
20
20
|
const results = [];
|
|
21
|
-
for (
|
|
21
|
+
for (const line of parsed.data) {
|
|
22
22
|
const result = {
|
|
23
23
|
smiles: '',
|
|
24
24
|
solvent: '',
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"getDatabase.js","sourceRoot":"","sources":["../../src/databases/getDatabase.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,EAAE,MAAM,aAAa,CAAC;AAEpC,OAAO,EAAE,cAAc,EAAE,MAAM,6BAA6B,CAAC;AAI7D,MAAM,CAAC,KAAK,UAAU,WAAW,CAC/B,GAAG,GAAG,sGAAsG,EAC5G,UAKI,EAAE;IAEN,MAAM,EAAE,MAAM,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IAEnC,IAAI,GAAG,CAAC,QAAQ,CAAC,YAAY,CAAC,EAAE;QAC9B,GAAG,GAAG,kDAAkD,iBAAiB,CACvE,GAAG,CACJ,oBAAoB,CAAC;KACvB;IAED,IAAI,MAAM,CAAC;IACX,MAAM,QAAQ,GAAG,MAAM,KAAK,CAAC,GAAG,CAAC,CAAC;IAClC,QAAQ,MAAM,EAAE;QACd,KAAK,KAAK;YACR,MAAM,GAAG,SAAS,CAAC,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC,CAAC;YAC1C,MAAM;QACR,KAAK,MAAM;YACT,MAAM,GAAG,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC;YAC/B,MAAM;QACR;YACE,MAAM,IAAI,KAAK,CAAC,yBAAyB,CAAC,CAAC;KAC9C;IAED,MAAM,OAAO,GAAG,EAAE,CAAC;IAEnB,KAAK,
|
|
1
|
+
{"version":3,"file":"getDatabase.js","sourceRoot":"","sources":["../../src/databases/getDatabase.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,KAAK,EAAE,MAAM,aAAa,CAAC;AAEpC,OAAO,EAAE,cAAc,EAAE,MAAM,6BAA6B,CAAC;AAI7D,MAAM,CAAC,KAAK,UAAU,WAAW,CAC/B,GAAG,GAAG,sGAAsG,EAC5G,UAKI,EAAE;IAEN,MAAM,EAAE,MAAM,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IAEnC,IAAI,GAAG,CAAC,QAAQ,CAAC,YAAY,CAAC,EAAE;QAC9B,GAAG,GAAG,kDAAkD,iBAAiB,CACvE,GAAG,CACJ,oBAAoB,CAAC;KACvB;IAED,IAAI,MAAM,CAAC;IACX,MAAM,QAAQ,GAAG,MAAM,KAAK,CAAC,GAAG,CAAC,CAAC;IAClC,QAAQ,MAAM,EAAE;QACd,KAAK,KAAK;YACR,MAAM,GAAG,SAAS,CAAC,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC,CAAC;YAC1C,MAAM;QACR,KAAK,MAAM;YACT,MAAM,GAAG,MAAM,QAAQ,CAAC,IAAI,EAAE,CAAC;YAC/B,MAAM;QACR;YACE,MAAM,IAAI,KAAK,CAAC,yBAAyB,CAAC,CAAC;KAC9C;IAED,MAAM,OAAO,GAAG,EAAE,CAAC;IAEnB,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,IAAI,EAAE;QAC9B,MAAM,MAAM,GAAqB;YAC/B,MAAM,EAAE,EAAE;YACV,OAAO,EAAE,EAAE;YACX,OAAO,EAAE,EAAE;YACX,QAAQ,EAAE,EAAE;YACZ,KAAK,EAAE,EAAE;YACT,IAAI,EAAE,EAAE;YACR,MAAM,EAAE,EAAE;SACX,CAAC;QACF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACpC,QAAQ,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE;gBACvB,KAAK,QAAQ;oBACX,MAAM,CAAC,MAAM,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;oBACxB,MAAM;gBACR,KAAK,SAAS;oBACZ,MAAM,CAAC,OAAO,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;oBACzB,MAAM;gBACR,KAAK,SAAS;oBACZ,MAAM,CAAC,OAAO,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;oBACzB,MAAM;gBACR,KAAK,UAAU;oBACb,MAAM,CAAC,QAAQ,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;oBAC1B,MAAM;gBACR,KAAK,MAAM;oBACT,IAAI,MAAM,CAAC,KAAK;wBAAE,MAAM,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;oBAC7C,MAAM;gBACR,KAAK,MAAM;oBACT,IAAI,MAAM,CAAC,IAAI;wBAAE,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;oBACzD,MAAM;gBACR,KAAK,QAAQ,CAAC,CAAC;oBACb,MAAM,KAAK,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;oBACtC,IAAI,KAAK;wBAAE,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;oBACrC,MAAM;iBACP;gBACD;oBACE,MAAM,IAAI,KAAK,CAAC,wBAAwB,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC;aAC9D;SACF;QACD,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;KACtB;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAED,SAAS,iBAAiB,CAAC,GAAW;IACpC,OAAO,GAAG,CAAC,OAAO,CAAC,4BAA4B,EAAE,SAAS,CAAC,CAAC;AAC9D,CAAC;AAED,SAAS,SAAS,CAAC,IAAY;IAC7B,MAAM,MAAM,GAAG,IAAI;SAChB,KAAK,CAAC,OAAO,CAAC;SACd,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC,OAAO,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;SACrC,GAAG,CAAC,CAAC,IAAY,EAAE,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,IAAY,EAAE,EAAE,CAAC,IAAI,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC;IAE9E,MAAM,MAAM,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;IACzB,MAAM,KAAK,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;IACxB,MAAM,IAAI,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC7B,OAAO;QACL,MAAM;QACN,KAAK;QACL,IAAI;KACL,CAAC;AACJ,CAAC"}
|
package/lib-esm/datum/Filters.js
CHANGED
|
@@ -10,6 +10,8 @@ import * as signalProcessing from './data1d/filter1d/signalProcessing';
|
|
|
10
10
|
import * as zeroFilling from './data1d/filter1d/zeroFilling';
|
|
11
11
|
import * as shift2DX from './data2d/filter2d/shiftX';
|
|
12
12
|
import * as shift2DY from './data2d/filter2d/shiftY';
|
|
13
|
+
import * as fftDimension1 from './data2d/filter2d/fftDimension1';
|
|
14
|
+
import * as fftDimension2 from './data2d/filter2d/fftDimension2';
|
|
13
15
|
export { apodizationFilter } from './data1d/filter1d/apodization/apodizationFilter';
|
|
14
16
|
export const Filters = {
|
|
15
17
|
apodization,
|
|
@@ -19,6 +21,8 @@ export const Filters = {
|
|
|
19
21
|
digitalFilter,
|
|
20
22
|
equallySpaced,
|
|
21
23
|
fft,
|
|
24
|
+
fftDimension1,
|
|
25
|
+
fftDimension2,
|
|
22
26
|
phaseCorrection,
|
|
23
27
|
shiftX,
|
|
24
28
|
zeroFilling,
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"Filters.js","sourceRoot":"","sources":["../../src/datum/Filters.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,WAAW,MAAM,2CAA2C,CAAC;AACzE,OAAO,KAAK,kBAAkB,MAAM,sCAAsC,CAAC;AAC3E,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,cAAc,MAAM,kCAAkC,CAAC;AACnE,OAAO,KAAK,GAAG,MAAM,uBAAuB,CAAC;AAC7C,OAAO,KAAK,eAAe,MAAM,mCAAmC,CAAC;AACrE,OAAO,KAAK,MAAM,MAAM,0BAA0B,CAAC;AACnD,OAAO,KAAK,gBAAgB,MAAM,oCAAoC,CAAC;AACvE,OAAO,KAAK,WAAW,MAAM,+BAA+B,CAAC;AAC7D,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;AACrD,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;
|
|
1
|
+
{"version":3,"file":"Filters.js","sourceRoot":"","sources":["../../src/datum/Filters.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,WAAW,MAAM,2CAA2C,CAAC;AACzE,OAAO,KAAK,kBAAkB,MAAM,sCAAsC,CAAC;AAC3E,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,cAAc,MAAM,kCAAkC,CAAC;AACnE,OAAO,KAAK,GAAG,MAAM,uBAAuB,CAAC;AAC7C,OAAO,KAAK,eAAe,MAAM,mCAAmC,CAAC;AACrE,OAAO,KAAK,MAAM,MAAM,0BAA0B,CAAC;AACnD,OAAO,KAAK,gBAAgB,MAAM,oCAAoC,CAAC;AACvE,OAAO,KAAK,WAAW,MAAM,+BAA+B,CAAC;AAC7D,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;AACrD,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;AACrD,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AAgBjE,OAAO,EAAE,iBAAiB,EAAE,MAAM,iDAAiD,CAAC;AAEpF,MAAM,CAAC,MAAM,OAAO,GAUhB;IACF,WAAW;IACX,cAAc;IACd,gBAAgB;IAChB,kBAAkB;IAClB,aAAa;IACb,aAAa;IACb,GAAG;IACH,aAAa;IACb,aAAa;IACb,eAAe;IACf,MAAM;IACN,WAAW;IACX,QAAQ;IACR,QAAQ;CACT,CAAC"}
|
|
@@ -33,7 +33,7 @@ function updateData(datum) {
|
|
|
33
33
|
export function applyFilter(datum, filters = [], options = {}) {
|
|
34
34
|
const { forceReapply = false, filterIndex } = options;
|
|
35
35
|
let isReduced = false;
|
|
36
|
-
for (
|
|
36
|
+
for (const filter of filters) {
|
|
37
37
|
const filterOption = {
|
|
38
38
|
name: filter.name,
|
|
39
39
|
label: Filters[filter.name].name,
|
|
@@ -71,7 +71,7 @@ export function applyFilter(datum, filters = [], options = {}) {
|
|
|
71
71
|
}
|
|
72
72
|
}
|
|
73
73
|
else {
|
|
74
|
-
for (
|
|
74
|
+
for (const filter of filters) {
|
|
75
75
|
Filters[filter.name].apply(datum, filter.value);
|
|
76
76
|
}
|
|
77
77
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"FiltersManager.js","sourceRoot":"","sources":["../../src/datum/FiltersManager.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,EAAE,MAAM,cAAc,CAAC;AAIlC,OAAO,EAAE,WAAW,EAAE,MAAM,0BAA0B,CAAC;AACvD,OAAO,EAAE,WAAW,EAAE,MAAM,0BAA0B,CAAC;AAEvD,OAAO,EAAE,OAAO,EAAE,MAAM,WAAW,CAAC;AAEpC,OAAO,EAAE,eAAe,EAAE,MAAM,gCAAgC,CAAC;AACjE,OAAO,EAAE,WAAW,EAAE,MAAM,4BAA4B,CAAC;AACzD,OAAO,EAAE,YAAY,EAAE,MAAM,6BAA6B,CAAC;AAE3D,OAAO,EAAE,WAAW,EAAE,MAAM,4BAA4B,CAAC;AAQzD,SAAS,iBAAiB,CAAC,KAAwB;IACjD,KAAK,CAAC,IAAI;QACR,KAAK,CAAC,IAAI,CAAC,SAAS,KAAK,CAAC;YACxB,CAAC,CAAC,WAAW,CAAC,KAAK,CAAC,YAAyB,CAAC;YAC9C,CAAC,CAAC,WAAW,CAAC,KAAK,CAAC,YAAyB,CAAC,CAAC;IAEnD,MAAM,EAAE,YAAY,EAAE,GAAG,KAAK,CAAC;IAC/B,IAAI,YAAY,EAAE;QAChB,KAAK,CAAC,IAAI,GAAG,EAAE,GAAG,YAAY,EAAE,CAAC;KAClC;AACH,CAAC;AACD,wEAAwE;AACxE,SAAS,UAAU,CAAC,KAAwB;IAC1C,IAAI,KAAK,CAAC,IAAI,CAAC,SAAS,KAAK,CAAC,EAAE;QAC9B,WAAW,CAAC,KAAgB,CAAC,CAAC;QAC9B,YAAY,CAAC,KAAgB,CAAC,CAAC;QAC/B,eAAe,CAAC,KAAgB,CAAC,CAAC;KACnC;SAAM,IAAI,KAAK,CAAC,IAAI,CAAC,SAAS,KAAK,CAAC,EAAE;QACrC,WAAW,CAAC,KAAgB,CAAC,CAAC;KAC/B;AACH,CAAC;AAaD;;GAEG;AACH,MAAM,UAAU,WAAW,CACzB,KAAwB,EACxB,UAAwB,EAAE,EAC1B,UAA8B,EAAE;IAEhC,MAAM,EAAE,YAAY,GAAG,KAAK,EAAE,WAAW,EAAE,GAAG,OAAO,CAAC;IACtD,IAAI,SAAS,GAAG,KAAK,CAAC;IACtB,KAAK,
|
|
1
|
+
{"version":3,"file":"FiltersManager.js","sourceRoot":"","sources":["../../src/datum/FiltersManager.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,EAAE,MAAM,cAAc,CAAC;AAIlC,OAAO,EAAE,WAAW,EAAE,MAAM,0BAA0B,CAAC;AACvD,OAAO,EAAE,WAAW,EAAE,MAAM,0BAA0B,CAAC;AAEvD,OAAO,EAAE,OAAO,EAAE,MAAM,WAAW,CAAC;AAEpC,OAAO,EAAE,eAAe,EAAE,MAAM,gCAAgC,CAAC;AACjE,OAAO,EAAE,WAAW,EAAE,MAAM,4BAA4B,CAAC;AACzD,OAAO,EAAE,YAAY,EAAE,MAAM,6BAA6B,CAAC;AAE3D,OAAO,EAAE,WAAW,EAAE,MAAM,4BAA4B,CAAC;AAQzD,SAAS,iBAAiB,CAAC,KAAwB;IACjD,KAAK,CAAC,IAAI;QACR,KAAK,CAAC,IAAI,CAAC,SAAS,KAAK,CAAC;YACxB,CAAC,CAAC,WAAW,CAAC,KAAK,CAAC,YAAyB,CAAC;YAC9C,CAAC,CAAC,WAAW,CAAC,KAAK,CAAC,YAAyB,CAAC,CAAC;IAEnD,MAAM,EAAE,YAAY,EAAE,GAAG,KAAK,CAAC;IAC/B,IAAI,YAAY,EAAE;QAChB,KAAK,CAAC,IAAI,GAAG,EAAE,GAAG,YAAY,EAAE,CAAC;KAClC;AACH,CAAC;AACD,wEAAwE;AACxE,SAAS,UAAU,CAAC,KAAwB;IAC1C,IAAI,KAAK,CAAC,IAAI,CAAC,SAAS,KAAK,CAAC,EAAE;QAC9B,WAAW,CAAC,KAAgB,CAAC,CAAC;QAC9B,YAAY,CAAC,KAAgB,CAAC,CAAC;QAC/B,eAAe,CAAC,KAAgB,CAAC,CAAC;KACnC;SAAM,IAAI,KAAK,CAAC,IAAI,CAAC,SAAS,KAAK,CAAC,EAAE;QACrC,WAAW,CAAC,KAAgB,CAAC,CAAC;KAC/B;AACH,CAAC;AAaD;;GAEG;AACH,MAAM,UAAU,WAAW,CACzB,KAAwB,EACxB,UAAwB,EAAE,EAC1B,UAA8B,EAAE;IAEhC,MAAM,EAAE,YAAY,GAAG,KAAK,EAAE,WAAW,EAAE,GAAG,OAAO,CAAC;IACtD,IAAI,SAAS,GAAG,KAAK,CAAC;IACtB,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,MAAM,YAAY,GAAG;YACnB,IAAI,EAAE,MAAM,CAAC,IAAI;YACjB,KAAK,EAAE,OAAO,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,IAAI;YAChC,KAAK,EAAE,MAAM,CAAC,KAAK;SACpB,CAAC;QACF,MAAM,cAAc,GAAG,eAAe,CAAC,KAAK,EAAE,MAAM,CAAC,IAAI,CAAC,CAAC;QAC3D,MAAM,aAAa,GACjB,eAAe,IAAI,MAAM,CAAC,CAAC,CAAC,MAAM,CAAC,aAAa,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1D,IAAI,cAAc,EAAE;YAClB,MAAM,YAAY,GAAG,OAAO,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,MAAM,CAC9C,cAAc,CAAC,KAAK,EACpB,YAAY,CAAC,KAAK,CACnB,CAAC;YACF,IAAI,YAAY,CAAC,IAAI,EAAE;gBACrB,IAAI,CAAC,SAAS,EAAE;oBACd,SAAS,GAAG,IAAI,CAAC;iBAClB;gBACD,IAAI,YAAY,CAAC,MAAM,IAAI,IAAI,IAAI,YAAY,CAAC,MAAM,KAAK,SAAS,EAAE;oBACpE,aAAa,CAAC,KAAK,EAAE,cAAc,CAAC,EAAE,EAAE,YAAY,CAAC,MAAM,CAAC,CAAC;iBAC9D;aACF;iBAAM;gBACL,SAAS,CAAC,KAAK,EAAE,YAAY,EAAE,EAAE,aAAa,EAAE,WAAW,EAAE,CAAC,CAAC;aAChE;SACF;aAAM;YACL,SAAS,CAAC,KAAK,EAAE,YAAY,EAAE,EAAE,aAAa,EAAE,WAAW,EAAE,CAAC,CAAC;SAChE;KACF;IACD,IAAI,YAAY,EAAE;QAChB,cAAc,CAAC,KAAK,CAAC,CAAC;KACvB;SAAM,IAAI,SAAS,EAAE;QACpB,IAAI,OAAO,CAAC,MAAM,KAAK,CAAC,IAAI,YAAY,CAAC,KAAK,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE;YAChE,OAAO,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,KAAK,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;SACzD;aAAM;YACL,cAAc,CAAC,KAAK,CAAC,CAAC;SACvB;KACF;SAAM;QACL,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;YAC5B,OAAO,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC;SACjD;KACF;IACD,UAAU,CAAC,KAAK,CAAC,CAAC;AACpB,CAAC;AAED,SAAS,YAAY,CAAC,KAAwB,EAAE,EAAU;IACxD,MAAM,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,SAAS,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,EAAE,CAAC,CAAC;IAC5D,IAAI,KAAK,CAAC,OAAO,CAAC,MAAM,KAAK,KAAK,GAAG,CAAC,EAAE;QACtC,OAAO,IAAI,CAAC;KACb;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED,MAAM,UAAU,eAAe,CAAC,KAAwB,EAAE,UAAkB;IAC1E,OAAO,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,UAAU,CAAC,CAAC;AAC1D,CAAC;AAED,MAAM,UAAU,cAAc,CAAC,KAAwB,EAAE,OAAkB;IACzE,MAAM,QAAQ,GAAG,OAAO,IAAI,KAAK,CAAC,OAAO,CAAC;IAC1C,YAAY,CAAC,KAAK,EAAE,IAAI,EAAE,IAAI,EAAE,QAAQ,CAAC,CAAC;AAC5C,CAAC;AAED,eAAe;AACf,MAAM,UAAU,YAAY,CAC1B,KAAwB,EACxB,EAAiB,EACjB,OAAuB,EACvB,OAAkB;IAElB,KAAK,CAAC,OAAO,GAAG,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IACvC,IAAI,EAAE,EAAE;QACN,KAAK,CAAC,OAAO,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE;YAC3C,OAAO,EAAE,GAAG,MAAM,EAAE,IAAI,EAAE,MAAM,CAAC,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI,EAAE,CAAC;QACvE,CAAC,CAAC,CAAC;KACJ;IAED,iBAAiB,CAAC,KAAK,CAAC,CAAC;IAEzB,MAAM,QAAQ,GAAG,OAAO,IAAI,KAAK,CAAC,OAAO,CAAC;IAE1C,KAAK,IAAI,WAAW,GAAG,CAAC,EAAE,WAAW,GAAG,QAAQ,CAAC,MAAM,EAAE,WAAW,EAAE,EAAE;QACtE,MAAM,MAAM,GAAG,KAAK,CAAC,OAAO,CAAC,WAAW,CAAC,CAAC;QAC1C,KAAK,CAAC,OAAO,CAAC,WAAW,CAAC,GAAG;YAC3B,GAAG,KAAK,CAAC,OAAO,CAAC,WAAW,CAAC;SAC9B,CAAC;QAEF,IAAI,MAAM,CAAC,IAAI,EAAE;YACf,IAAI;gBACF,OAAO,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC;aACjD;YAAC,OAAO,KAAU,EAAE;gBACnB,KAAK,CAAC,OAAO,CAAC,WAAW,CAAC,GAAG;oBAC3B,GAAG,KAAK,CAAC,OAAO,CAAC,WAAW,CAAC;oBAC7B,KAAK,EAAE,KAAK,CAAC,OAAO;iBACrB,CAAC;aACH;SACF;KACF;AACH,CAAC;AAED,MAAM,UAAU,YAAY,CAAC,KAAwB,EAAE,EAAW;IAChE,uFAAuF;IACvF,KAAK,CAAC,OAAO,GAAG,KAAK,CAAC,OAAO;SAC1B,KAAK,CAAC,CAAC,CAAC;SACR,MAAM,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,aAAa,CAAC,CAAC,CAAC;IAEvE,iBAAiB,CAAC,KAAK,CAAC,CAAC;IAEzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAC7C,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG;YACjB,GAAG,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC;SACpB,CAAC;QAEF,IAAI,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE;YACzB,MAAM,EAAE,IAAI,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;YACzC,IAAI;gBACF,OAAO,CAAC,IAAI,CAAC,CAAC,KAAK,CAAC,KAAK,EAAE,KAAK,CAAC,CAAC;aACnC;YAAC,OAAO,KAAU,EAAE;gBACnB,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG;oBACjB,GAAG,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC;oBACnB,KAAK,EAAE,KAAK,CAAC,OAAO;iBACrB,CAAC;aACH;SACF;KACF;IACD,UAAU,CAAC,KAAK,CAAC,CAAC;AACpB,CAAC;AAMD,MAAM,UAAU,SAAS,CACvB,KAAwB,EACxB,aAA2B,EAC3B,UAA4B,EAAE;IAE9B,MAAM,EAAE,WAAW,EAAE,aAAa,GAAG,IAAI,EAAE,GAAG,OAAO,CAAC;IACtD,MAAM,EAAE,GAAG,EAAE,EAAE,CAAC;IAEhB,MAAM,MAAM,GAAG;QACb,GAAG,aAAa;QAChB,EAAE;QACF,IAAI,EAAE,IAAI;QACV,aAAa;KACd,CAAC;IAEF,IAAI,OAAO,WAAW,KAAK,QAAQ,IAAI,WAAW,KAAK,CAAC,CAAC,EAAE;QACzD,KAAK,CAAC,OAAO,GAAG;YACd,GAAG,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC,EAAE,WAAW,GAAG,CAAC,CAAC;YAC1C,MAAM;YACN,GAAG,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,WAAW,GAAG,CAAC,CAAC;SACxC,CAAC;KACH;SAAM;QACL,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;KAC5B;AACH,CAAC;AAED,SAAS,aAAa,CAAC,KAAwB,EAAE,QAAgB,EAAE,KAAU;IAC3E,0CAA0C;IAC1C,MAAM,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,SAAS,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,EAAE,KAAK,QAAQ,CAAC,CAAC;IAChE,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,GAAG;QACrB,GAAG,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC;QACvB,KAAK;KACN,CAAC;AACJ,CAAC"}
|
|
@@ -12,7 +12,7 @@ export function apply(datum1D, options) {
|
|
|
12
12
|
throw new Error('baselineCorrection not applicable on this data');
|
|
13
13
|
}
|
|
14
14
|
const { algorithm } = options;
|
|
15
|
-
|
|
15
|
+
const { x, re } = datum1D.data;
|
|
16
16
|
let corrected;
|
|
17
17
|
switch (algorithm) {
|
|
18
18
|
case 'airpls':
|
|
@@ -21,11 +21,11 @@ export function apply(datum1D, options) {
|
|
|
21
21
|
case 'polynomial':
|
|
22
22
|
{
|
|
23
23
|
const { degree, zones } = options;
|
|
24
|
-
|
|
25
|
-
|
|
24
|
+
const reduced = xyEquallySpaced({ x, y: re }, { numberOfPoints: 4096, zones });
|
|
25
|
+
const result = baselineRegression(reduced.x, reduced.y, {
|
|
26
26
|
regressionOptions: degree,
|
|
27
27
|
});
|
|
28
|
-
|
|
28
|
+
const { regression } = result;
|
|
29
29
|
corrected = new Float64Array(x.length);
|
|
30
30
|
for (let i = 0; i < re.length; i++) {
|
|
31
31
|
corrected[i] = re[i] - regression.predict(x[i]);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"baselineCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/baselineCorrection.ts"],"names":[],"mappings":"AAAA,OAAO,MAAM,MAAM,WAAW,CAAC;AAC/B,OAAO,kBAAkB,MAAM,mCAAmC,CAAC;AACnE,OAAO,EAAE,eAAe,EAAE,MAAM,uBAAuB,CAAC;AAKxD,MAAM,CAAC,MAAM,EAAE,GAAG,oBAAoB,CAAC;AACvC,MAAM,CAAC,MAAM,IAAI,GAAG,qBAAqB,CAAC;AAC1C,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,IAAI;CACpB,CAAC;AAyBF,MAAM,UAAU,KAAK,CAAC,OAAgB,EAAE,OAAkC;IACxE,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,gDAAgD,CAAC,CAAC;KACnE;IACD,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,
|
|
1
|
+
{"version":3,"file":"baselineCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/baselineCorrection.ts"],"names":[],"mappings":"AAAA,OAAO,MAAM,MAAM,WAAW,CAAC;AAC/B,OAAO,kBAAkB,MAAM,mCAAmC,CAAC;AACnE,OAAO,EAAE,eAAe,EAAE,MAAM,uBAAuB,CAAC;AAKxD,MAAM,CAAC,MAAM,EAAE,GAAG,oBAAoB,CAAC;AACvC,MAAM,CAAC,MAAM,IAAI,GAAG,qBAAqB,CAAC;AAC1C,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,IAAI;CACpB,CAAC;AAyBF,MAAM,UAAU,KAAK,CAAC,OAAgB,EAAE,OAAkC;IACxE,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,gDAAgD,CAAC,CAAC;KACnE;IACD,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;IAE/B,IAAI,SAAS,CAAC;IACd,QAAQ,SAAS,EAAE;QACjB,KAAK,QAAQ;YACX,SAAS,GAAG,MAAM,CAAC,CAAC,EAAE,EAAE,EAAE,OAAO,CAAC,CAAC,SAAS,CAAC;YAC7C,MAAM;QACR,KAAK,YAAY;YACf;gBACE,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;gBAClC,MAAM,OAAO,GAAG,eAAe,CAC7B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,cAAc,EAAE,IAAI,EAAE,KAAK,EAAE,CAChC,CAAC;gBACF,MAAM,MAAM,GAAG,kBAAkB,CAAC,OAAO,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC,EAAE;oBACtD,iBAAiB,EAAE,MAAM;iBAC1B,CAAC,CAAC;gBACH,MAAM,EAAE,UAAU,EAAE,GAAG,MAAM,CAAC;gBAC9B,SAAS,GAAG,IAAI,YAAY,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC;gBACvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBAClC,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;iBACjD;aACF;YAED,MAAM;QACR;YACE,4EAA4E;YAC5E,MAAM,IAAI,KAAK,CAAC,0CAA0C,SAAS,EAAE,CAAC,CAAC;KAC1E;IAED,MAAM,CAAC,MAAM,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,SAAS,EAAE,CAAC,CAAC;AACjD,CAAC;AAED,MAAM,UAAU,YAAY,CAAC,OAAgB;IAC3C,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACrC,OAAO,KAAK,CAAC;AACf,CAAC;AAED,MAAM,UAAU,MAAM,CACpB,aAAwC,EACxC,QAAmC;IAEnC,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC"}
|
|
@@ -20,8 +20,8 @@ export function apply(spectrum, options = {}) {
|
|
|
20
20
|
filter.value = { digitalFilterValue };
|
|
21
21
|
}
|
|
22
22
|
}
|
|
23
|
-
|
|
24
|
-
|
|
23
|
+
const re = new Float64Array(spectrum.data.re);
|
|
24
|
+
const im = new Float64Array(spectrum.data.im);
|
|
25
25
|
let pointsToShift = Math.floor(digitalFilterValue);
|
|
26
26
|
const skip = 0;
|
|
27
27
|
pointsToShift += 0;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/digitalFilter.ts"],"names":[],"mappings":"AAMA,MAAM,CAAC,MAAM,EAAE,GAAG,eAAe,CAAC;AAClC,MAAM,CAAC,MAAM,IAAI,GAAG,gBAAgB,CAAC;AACrC,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF;;;GAGG;AAEH,MAAM,UAAU,KAAK,CAAC,QAA8B,EAAE,UAAe,EAAE;IACrE,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,IAAI,EAAE,kBAAkB,EAAE,GAAG,OAAO,CAAC;IAErC,IAAI,CAAC,kBAAkB,EAAE;QACvB,kBAAkB,GAAG,QAAQ,CAAC,IAAI,CAAC,aAAa,IAAI,CAAC,CAAC;QACtD,MAAM,MAAM,GAAG,QAAQ,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,EAAE,CAAC,CAAC;QACrE,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,kBAAkB,EAAE,CAAC;SACvC;KACF;IAED,
|
|
1
|
+
{"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/digitalFilter.ts"],"names":[],"mappings":"AAMA,MAAM,CAAC,MAAM,EAAE,GAAG,eAAe,CAAC;AAClC,MAAM,CAAC,MAAM,IAAI,GAAG,gBAAgB,CAAC;AACrC,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF;;;GAGG;AAEH,MAAM,UAAU,KAAK,CAAC,QAA8B,EAAE,UAAe,EAAE;IACrE,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,IAAI,EAAE,kBAAkB,EAAE,GAAG,OAAO,CAAC;IAErC,IAAI,CAAC,kBAAkB,EAAE;QACvB,kBAAkB,GAAG,QAAQ,CAAC,IAAI,CAAC,aAAa,IAAI,CAAC,CAAC;QACtD,MAAM,MAAM,GAAG,QAAQ,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,EAAE,CAAC,CAAC;QACrE,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,kBAAkB,EAAE,CAAC;SACvC;KACF;IAED,MAAM,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAC9C,MAAM,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAE9C,IAAI,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAEnD,MAAM,IAAI,GAAG,CAAC,CAAC;IACf,aAAa,IAAI,CAAC,CAAC;IAEnB,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IACpE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IAEpE,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;IACzB,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;AAC3B,CAAC;AAED,MAAM,UAAU,YAAY,CAC1B,OAA6B;IAE7B,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AAED,MAAM,UAAU,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC"}
|
|
@@ -11,7 +11,7 @@ export function apply(datum1D) {
|
|
|
11
11
|
throw new Error('fft not applicable on this data');
|
|
12
12
|
}
|
|
13
13
|
checkSameLength(datum1D);
|
|
14
|
-
|
|
14
|
+
const digitalFilterApplied = datum1D.filters.some((e) => e.name === 'digitalFilter' && e.flag);
|
|
15
15
|
const { info: { aqMod }, } = datum1D;
|
|
16
16
|
if (aqMod === 1) {
|
|
17
17
|
removeDCOffset(datum1D, digitalFilterApplied);
|
|
@@ -25,8 +25,8 @@ export function apply(datum1D) {
|
|
|
25
25
|
im: data.im,
|
|
26
26
|
}, { applyZeroShift: true }));
|
|
27
27
|
if (digitalFilterApplied) {
|
|
28
|
-
|
|
29
|
-
|
|
28
|
+
const { digitalFilter = 0 } = info;
|
|
29
|
+
const ph1 = (digitalFilter - Math.floor(digitalFilter)) * Math.PI * 2;
|
|
30
30
|
Object.assign(data, reimPhaseCorrection(data, 0, -ph1, { reverse: true }));
|
|
31
31
|
}
|
|
32
32
|
datum1D.data.x = generateXAxis(datum1D);
|
|
@@ -49,10 +49,10 @@ function generateXAxis(datum1D) {
|
|
|
49
49
|
const frequencyOffset = Number(info.frequencyOffset);
|
|
50
50
|
const spectralWidth = Number(info.spectralWidth);
|
|
51
51
|
const offset = frequencyOffset / baseFrequency;
|
|
52
|
-
|
|
53
|
-
|
|
52
|
+
const spectralHalfWidth = 0.5 * spectralWidth;
|
|
53
|
+
const nbPoints = datum1D.data.x.length;
|
|
54
54
|
let firstPoint = offset - spectralHalfWidth;
|
|
55
|
-
|
|
55
|
+
const dx = spectralWidth / (nbPoints - 1);
|
|
56
56
|
const xAxis = new Float64Array(nbPoints);
|
|
57
57
|
for (let i = 0; i < nbPoints; i++) {
|
|
58
58
|
xAxis[i] = firstPoint;
|
|
@@ -64,7 +64,7 @@ function isPowerOfTwo(n) {
|
|
|
64
64
|
return n !== 0 && (n & (n - 1)) === 0;
|
|
65
65
|
}
|
|
66
66
|
function removeDCOffset(spectrum, digitalFilterApplied) {
|
|
67
|
-
|
|
67
|
+
const { digitalFilter = 0 } = digitalFilterApplied && spectrum.info ? spectrum.info : {};
|
|
68
68
|
const data = spectrum.data;
|
|
69
69
|
const nbPoints = data.re.length;
|
|
70
70
|
const newRe = new Float64Array(data.re);
|