From 68fba8ca46c047a186b1259c3de06fda2ad982c7 Mon Sep 17 00:00:00 2001 From: Nicolass67 Date: Mon, 6 Oct 2025 15:58:58 +0200 Subject: [PATCH 1/2] (WIP) LSV Layout --- src/__tests__/fixtures/lsv_jcamp.js | 3404 ++++++++++++++++++++++++ src/components/cmd_bar/r01_layout.js | 3 + src/components/d3_line/line_focus.js | 4 +- src/components/d3_multi/multi_focus.js | 8 +- src/components/multi_jcamps_viewer.js | 2 +- src/constants/list_axes.js | 2 + src/constants/list_layout.js | 1 + src/helpers/cfg.js | 7 +- src/helpers/chem.js | 13 +- src/helpers/format.js | 11 +- src/index.js | 14 +- src/sagas/saga_multi_entities.js | 4 +- 12 files changed, 3455 insertions(+), 18 deletions(-) create mode 100644 src/__tests__/fixtures/lsv_jcamp.js diff --git a/src/__tests__/fixtures/lsv_jcamp.js b/src/__tests__/fixtures/lsv_jcamp.js new file mode 100644 index 00000000..4754d1b0 --- /dev/null +++ b/src/__tests__/fixtures/lsv_jcamp.js @@ -0,0 +1,3404 @@ +const lsvJcamp = ` +##TITLE= +##JCAMP-DX=5.0 +##DATA TYPE=LINK +##BLOCKS=1 + + +$$ === CHEMSPECTRA SPECTRUM ORIG === +##TITLE= +##JCAMP-DX=5.00 +##DATA TYPE=LINEAR SWEEP VOLTAMMETRY +##DATA CLASS=XYDATA +##$CSCATEGORY=SPECTRUM +##ORIGIN= +##OWNER= +##.OBSERVE NUCLEUS=^1H +##XUNITS=Voltage in V +##YUNITS=Current in A +##XFACTOR=1.0 +##YFACTOR=1.0 +##FIRSTX=-0.80211 +##LASTX=-2.40041 +##MAXX=-0.801085 +##MAXY=-2.85838e-07 +##MINX=-2.40041 +##MINY=-0.000121708 +##NPOINTS=1601 +##XYDATA= (XY..XY) +-0.80211, -4.68229e-07 +-0.801085, -4.49411e-07 +-0.802091, -4.21022e-07 +-0.803098, -3.92285e-07 +-0.804095, -3.69478e-07 +-0.805094, -3.50779e-07 +-0.806099, -3.39075e-07 +-0.807103, -3.26547e-07 +-0.808105, -3.20798e-07 +-0.809101, -3.15465e-07 +-0.810103, -3.11265e-07 +-0.811105, -3.06662e-07 +-0.812104, -2.98652e-07 +-0.813102, -2.92121e-07 +-0.8141, -2.85838e-07 +-0.815105, -2.89429e-07 +-0.816107, -2.86677e-07 +-0.817102, -2.90376e-07 +-0.818106, -2.93036e-07 +-0.81911, -2.93778e-07 +-0.820108, -3.00838e-07 +-0.821107, -3.05e-07 +-0.822112, 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-9.29730E-005 +-2.25938E+000, -9.31366E-005 +-2.26038E+000, -9.33031E-005 +-2.26139E+000, -9.34643E-005 +-2.26239E+000, -9.36048E-005 +-2.26339E+000, -9.37449E-005 +-2.26439E+000, -9.38354E-005 +-2.26539E+000, -9.39825E-005 +-2.26639E+000, -9.40791E-005 +-2.26739E+000, -9.42113E-005 +-2.26839E+000, -9.43035E-005 +-2.26939E+000, -9.44291E-005 +-2.27038E+000, -9.45551E-005 +-2.27139E+000, -9.46585E-005 +-2.27239E+000, -9.47660E-005 +-2.27339E+000, -9.49058E-005 +-2.27439E+000, -9.50448E-005 +-2.27539E+000, -9.51821E-005 +-2.27639E+000, -9.53000E-005 +-2.27739E+000, -9.54098E-005 +-2.27839E+000, -9.55246E-005 +-2.27939E+000, -9.57224E-005 +-2.28039E+000, -9.58277E-005 +-2.28139E+000, -9.59154E-005 +-2.28239E+000, -9.60445E-005 +-2.28339E+000, -9.61546E-005 +-2.28439E+000, -9.62591E-005 +-2.28539E+000, -9.63478E-005 +-2.28640E+000, -9.64335E-005 +-2.28739E+000, -9.66096E-005 +-2.28839E+000, -9.68042E-005 +-2.28940E+000, -9.69652E-005 +-2.29039E+000, -9.71024E-005 +-2.29139E+000, -9.72165E-005 +-2.29239E+000, -9.74046E-005 +-2.29338E+000, -9.75785E-005 +-2.29439E+000, -9.77875E-005 +-2.29539E+000, -9.79887E-005 +-2.29639E+000, -9.81297E-005 +-2.29739E+000, -9.83037E-005 +-2.29839E+000, -9.85248E-005 +-2.29940E+000, -9.87148E-005 +-2.30040E+000, -9.89007E-005 +-2.30140E+000, -9.91185E-005 +-2.30240E+000, -9.92912E-005 +-2.30340E+000, -9.94504E-005 +-2.30439E+000, -9.96449E-005 +-2.30540E+000, -9.98314E-005 +-2.30640E+000, -9.99875E-005 +-2.30740E+000, -1.00192E-004 +-2.30840E+000, -1.00407E-004 +-2.30940E+000, -1.00636E-004 +-2.31040E+000, -1.00871E-004 +-2.31140E+000, -1.01148E-004 +-2.31240E+000, -1.01394E-004 +-2.31340E+000, -1.01654E-004 +-2.31440E+000, -1.01913E-004 +-2.31540E+000, -1.02189E-004 +-2.31640E+000, -1.02530E-004 +-2.31740E+000, -1.02691E-004 +-2.31840E+000, -1.02938E-004 +-2.31940E+000, -1.03043E-004 +-2.32040E+000, -1.03225E-004 +-2.32140E+000, -1.03428E-004 +-2.32240E+000, -1.03647E-004 +-2.32340E+000, -1.03887E-004 +-2.32440E+000, -1.04191E-004 +-2.32540E+000, -1.04461E-004 +-2.32640E+000, -1.04831E-004 +-2.32739E+000, -1.05149E-004 +-2.32840E+000, -1.05650E-004 +-2.32940E+000, -1.06047E-004 +-2.33040E+000, -1.06222E-004 +-2.33141E+000, -1.06523E-004 +-2.33241E+000, -1.06843E-004 +-2.33340E+000, -1.07052E-004 +-2.33440E+000, -1.07152E-004 +-2.33540E+000, -1.07290E-004 +-2.33640E+000, -1.07598E-004 +-2.33741E+000, -1.07905E-004 +-2.33840E+000, -1.08013E-004 +-2.33940E+000, -1.08195E-004 +-2.34040E+000, -1.08488E-004 +-2.34140E+000, -1.08871E-004 +-2.34240E+000, -1.09190E-004 +-2.34340E+000, -1.09163E-004 +-2.34440E+000, -1.09366E-004 +-2.34540E+000, -1.09561E-004 +-2.34640E+000, -1.09771E-004 +-2.34740E+000, -1.10003E-004 +-2.34840E+000, -1.10245E-004 +-2.34940E+000, -1.10461E-004 +-2.35040E+000, -1.10668E-004 +-2.35140E+000, -1.10829E-004 +-2.35240E+000, -1.10925E-004 +-2.35341E+000, -1.11023E-004 +-2.35441E+000, -1.11278E-004 +-2.35541E+000, -1.11510E-004 +-2.35641E+000, -1.11699E-004 +-2.35741E+000, -1.11886E-004 +-2.35840E+000, -1.12066E-004 +-2.35940E+000, -1.12398E-004 +-2.36041E+000, -1.12726E-004 +-2.36140E+000, -1.13069E-004 +-2.36240E+000, -1.13339E-004 +-2.36340E+000, -1.13559E-004 +-2.36441E+000, -1.13884E-004 +-2.36540E+000, -1.14129E-004 +-2.36640E+000, -1.14300E-004 +-2.36741E+000, -1.14450E-004 +-2.36840E+000, -1.14731E-004 +-2.36941E+000, -1.14821E-004 +-2.37041E+000, -1.15246E-004 +-2.37141E+000, -1.15390E-004 +-2.37241E+000, -1.15470E-004 +-2.37341E+000, -1.15696E-004 +-2.37441E+000, -1.15871E-004 +-2.37541E+000, -1.16456E-004 +-2.37641E+000, -1.16836E-004 +-2.37741E+000, -1.17137E-004 +-2.37841E+000, -1.17532E-004 +-2.37941E+000, -1.17753E-004 +-2.38041E+000, -1.18002E-004 +-2.38141E+000, -1.18072E-004 +-2.38241E+000, -1.18101E-004 +-2.38341E+000, -1.18287E-004 +-2.38441E+000, -1.18476E-004 +-2.38541E+000, -1.18615E-004 +-2.38641E+000, -1.18813E-004 +-2.38741E+000, -1.18942E-004 +-2.38842E+000, -1.19143E-004 +-2.38942E+000, -1.19295E-004 +-2.39041E+000, -1.19476E-004 +-2.39141E+000, -1.19665E-004 +-2.39241E+000, -1.19892E-004 +-2.39342E+000, -1.20055E-004 +-2.39441E+000, -1.20272E-004 +-2.39541E+000, -1.20564E-004 +-2.39641E+000, -1.20756E-004 +-2.39741E+000, -1.20974E-004 +-2.39842E+000, -1.21202E-004 +-2.39941E+000, -1.21441E-004 +-2.40041E+000, -1.21708E-004 + + +##END= + + +`; + +export default lsvJcamp; diff --git a/src/components/cmd_bar/r01_layout.js b/src/components/cmd_bar/r01_layout.js index 4eb76341..ad85678f 100644 --- a/src/components/cmd_bar/r01_layout.js +++ b/src/components/cmd_bar/r01_layout.js @@ -163,6 +163,9 @@ const layoutSelect = (classes, layoutSt, updateLayoutAct) => { CV (CYCLIC VOLTAMMETRY) + + LSV (LINEAR SWEEP VOLTAMMETRY) + CDS (CIRCULAR DICHROISM SPECTROSCOPY) diff --git a/src/components/d3_line/line_focus.js b/src/components/d3_line/line_focus.js index b308e9d3..092b0e4e 100644 --- a/src/components/d3_line/line_focus.js +++ b/src/components/d3_line/line_focus.js @@ -304,7 +304,7 @@ class LineFocus { sameXY, sameEpSt, sameDtPk, sameSfPk, } = this.shouldUpdate; - if (!Format.isCyclicVoltaLayout(this.layout) + if (!(Format.isCyclicVoltaLayout(this.layout) || Format.isLSVLayout(this.layout)) && sameXY && sameEpSt && sameDtPk && sameSfPk) return; // rescale for zoom @@ -785,7 +785,7 @@ class LineFocus { reverseXAxis(layoutSt) { return [LIST_LAYOUT.UVVIS, LIST_LAYOUT.HPLC_UVVIS, LIST_LAYOUT.TGA, LIST_LAYOUT.DSC, - LIST_LAYOUT.XRD, LIST_LAYOUT.CYCLIC_VOLTAMMETRY, + LIST_LAYOUT.XRD, LIST_LAYOUT.CYCLIC_VOLTAMMETRY, LIST_LAYOUT.LSV, LIST_LAYOUT.CDS, LIST_LAYOUT.DLS_ACF, LIST_LAYOUT.SEC, LIST_LAYOUT.GC, LIST_LAYOUT.EMISSIONS, LIST_LAYOUT.DLS_INTENSITY].indexOf(layoutSt) < 0; } diff --git a/src/components/d3_multi/multi_focus.js b/src/components/d3_multi/multi_focus.js index 21c572e6..563ccb1b 100644 --- a/src/components/d3_multi/multi_focus.js +++ b/src/components/d3_multi/multi_focus.js @@ -289,7 +289,7 @@ class MultiFocus { event.stopPropagation(); event.preventDefault(); const onPeak = true; - if (this.layout === LIST_LAYOUT.CYCLIC_VOLTAMMETRY) { + if (this.layout === LIST_LAYOUT.CYCLIC_VOLTAMMETRY || this.layout === LIST_LAYOUT.LSV) { const { spectraList } = this.cyclicvoltaSt; const spectra = spectraList[this.jcampIdx]; const voltammetryPeakIdx = spectra.selectedIdx; @@ -397,7 +397,7 @@ class MultiFocus { sameXY, sameEpSt, sameDtPk, sameSfPk, } = this.shouldUpdate; - if (!Format.isCyclicVoltaLayout(this.layout) + if (!(Format.isCyclicVoltaLayout(this.layout) || Format.isLSVLayout(this.layout)) && sameXY && sameEpSt && sameDtPk && sameSfPk) return; // rescale for zoom @@ -512,7 +512,7 @@ class MultiFocus { sameXY, sameEpSt, sameDtPk, sameSfPk, } = this.shouldUpdate; - if (!Format.isCyclicVoltaLayout(this.layout) && sameXY + if (!(Format.isCyclicVoltaLayout(this.layout) || Format.isLSVLayout(this.layout)) && sameXY && sameEpSt && sameDtPk && sameSfPk) return; // rescale for zoom @@ -1003,7 +1003,7 @@ class MultiFocus { reverseXAxis(layoutSt) { return [LIST_LAYOUT.UVVIS, LIST_LAYOUT.HPLC_UVVIS, LIST_LAYOUT.TGA, LIST_LAYOUT.DSC, - LIST_LAYOUT.XRD, LIST_LAYOUT.CYCLIC_VOLTAMMETRY, + LIST_LAYOUT.XRD, LIST_LAYOUT.CYCLIC_VOLTAMMETRY, LIST_LAYOUT.LSV, LIST_LAYOUT.CDS, LIST_LAYOUT.SEC, LIST_LAYOUT.GC, LIST_LAYOUT.AIF].indexOf(layoutSt) < 0; } diff --git a/src/components/multi_jcamps_viewer.js b/src/components/multi_jcamps_viewer.js index ccff9b7a..9f798bce 100644 --- a/src/components/multi_jcamps_viewer.js +++ b/src/components/multi_jcamps_viewer.js @@ -34,7 +34,7 @@ const styles = () => ({ }); const seperatingSubLayout = (entities, featureCondition, layoutSt) => { - if (layoutSt === LIST_LAYOUT.CYCLIC_VOLTAMMETRY) { + if (layoutSt === LIST_LAYOUT.CYCLIC_VOLTAMMETRY || layoutSt === LIST_LAYOUT.LSV) { return null; } const storedDict = {}; diff --git a/src/constants/list_axes.js b/src/constants/list_axes.js index 8f328476..a8e17ec0 100644 --- a/src/constants/list_axes.js +++ b/src/constants/list_axes.js @@ -2,10 +2,12 @@ import { LIST_LAYOUT } from './list_layout'; const optionsAxisX = { [LIST_LAYOUT.CYCLIC_VOLTAMMETRY]: ['', 'Voltage in V', 'Voltage vs Ref in V', 'Potential in V', 'Potential vs Ref in V'], + [LIST_LAYOUT.LSV]: ['', 'Voltage in V', 'Voltage vs Ref in V', 'Potential in V', 'Potential vs Ref in V'], }; const optionsAxisY = { [LIST_LAYOUT.CYCLIC_VOLTAMMETRY]: ['', 'Current in A', 'Current in mA'], + [LIST_LAYOUT.LSV]: ['', 'Current in A', 'Current in mA'], }; const LIST_AXES = { diff --git a/src/constants/list_layout.js b/src/constants/list_layout.js index 0e73fda2..a5a43731 100644 --- a/src/constants/list_layout.js +++ b/src/constants/list_layout.js @@ -13,6 +13,7 @@ const LIST_LAYOUT = { TGA: 'THERMOGRAVIMETRIC ANALYSIS', XRD: 'X-RAY DIFFRACTION', HPLC_UVVIS: 'HPLC UV/VIS', + LSV: 'LINEAR SWEEP VOLTAMMETRY', CYCLIC_VOLTAMMETRY: 'CYCLIC VOLTAMMETRY', CDS: 'CIRCULAR DICHROISM SPECTROSCOPY', SEC: 'SIZE EXCLUSION CHROMATOGRAPHY', diff --git a/src/helpers/cfg.js b/src/helpers/cfg.js index c7c08c7d..717a2666 100644 --- a/src/helpers/cfg.js +++ b/src/helpers/cfg.js @@ -12,6 +12,7 @@ const btnCmdAnaViewer = (layoutSt) => ( || Format.is31PLayout(layoutSt) || Format.is15NLayout(layoutSt) || Format.is29SiLayout(layoutSt) + || Format.isLSVLayout(layoutSt) || Format.isCyclicVoltaLayout(layoutSt) || Format.isCDSLayout(layoutSt) || Format.isSECLayout(layoutSt) @@ -56,9 +57,11 @@ const hidePanelCompare = (layoutSt) => !(Format.isIrLayout(layoutSt) || Format.i const hideSolvent = (layoutSt) => !Format.isNmrLayout(layoutSt); -const showTwoThreshold = (layoutSt) => Format.isCyclicVoltaLayout(layoutSt); +const showTwoThreshold = (layoutSt) => (Format.isCyclicVoltaLayout(layoutSt) + || Format.isLSVLayout(layoutSt)); -const hidePanelCyclicVolta = (layoutSt) => !Format.isCyclicVoltaLayout(layoutSt); +const hidePanelCyclicVolta = (layoutSt) => !(Format.isCyclicVoltaLayout(layoutSt) + || Format.isLSVLayout(layoutSt)); const Config = { btnCmdAnaViewer, diff --git a/src/helpers/chem.js b/src/helpers/chem.js index 00dff641..ed068096 100644 --- a/src/helpers/chem.js +++ b/src/helpers/chem.js @@ -34,7 +34,7 @@ const getShiftOffset = (state, _) => { // eslint-disable-line curve, layout, cyclicvolta, } = state; const { curveIdx } = curve; - if (layout === LIST_LAYOUT.CYCLIC_VOLTAMMETRY && cyclicvolta) { + if ((layout === LIST_LAYOUT.CYCLIC_VOLTAMMETRY || layout === LIST_LAYOUT.LSV) && cyclicvolta) { return GetCyclicVoltaShiftOffset(cyclicvolta, curveIdx); } @@ -152,7 +152,7 @@ const Convert2Peak = (feature, threshold, offset, upThreshold = false, lowThresh const { layout } = operation; // if (!Format.isSECLayout(layout) && (upperThres || lowerThres)) { - if ((Format.isCyclicVoltaLayout(layout) || Format.isCDSLayout(layout)) + if ((Format.isCyclicVoltaLayout(layout) || Format.isLSVLayout(layout) || Format.isCDSLayout(layout)) && (upperThres || lowerThres)) { let upperThresVal = upThreshold || upperThres; if (!upperThresVal) { @@ -204,7 +204,7 @@ const Convert2MaxMinPeak = (layout, feature, offset) => { // eslint-disable-lin const peaks = { max: [], min: [], pecker: [], refIndex: -1, }; - if (!Format.isCyclicVoltaLayout(layout) || !feature || !feature.data) return null; // eslint-disable-line + if (!(Format.isCyclicVoltaLayout(layout) || Format.isLSVLayout(layout)) || !feature || !feature.data) return null; // eslint-disable-line // const data = feature.data[0]; // eslint-disable-line const { volammetryData, @@ -288,7 +288,6 @@ const ToShiftPeaks = createSelector( // - - - - - - - - - - - - - - - - - - - - - - const readLayout = (jcamp) => { const { xType, spectra } = jcamp; - if (xType && Format.isNmrLayout(xType)) return xType; const { dataType } = spectra[0]; if (dataType) { if (dataType.includes('INFRARED SPECTRUM')) { @@ -318,6 +317,9 @@ const readLayout = (jcamp) => { if (dataType.includes('CYCLIC VOLTAMMETRY')) { return LIST_LAYOUT.CYCLIC_VOLTAMMETRY; } + if (dataType.includes('LINEAR SWEEP VOLTAMMETRY')) { + return LIST_LAYOUT.LSV; + } if (dataType.includes('CIRCULAR DICHROISM SPECTROSCOPY')) { return LIST_LAYOUT.CDS; } @@ -340,6 +342,7 @@ const readLayout = (jcamp) => { return LIST_LAYOUT.DLS_INTENSITY; } } + if (xType && Format.isNmrLayout(xType)) return xType; return false; }; @@ -802,7 +805,7 @@ const ExtractJcamp = (source) => { return { spectra, features, layout, temperature, }; - } else if (Format.isCyclicVoltaLayout(layout) || Format.isSECLayout(layout) + } else if (Format.isCyclicVoltaLayout(layout) || Format.isLSVLayout(layout) || Format.isSECLayout(layout) || Format.isAIFLayout(layout) || Format.isCDSLayout(layout) || Format.isGCLayout(layout)) { features = extrFeaturesCylicVolta(jcamp, layout, peakUp); } else { diff --git a/src/helpers/format.js b/src/helpers/format.js index ca6efb9f..e95dabe2 100644 --- a/src/helpers/format.js +++ b/src/helpers/format.js @@ -28,6 +28,7 @@ const spectraDigit = (layout) => { case LIST_LAYOUT.N15: case LIST_LAYOUT.Si29: case LIST_LAYOUT.PLAIN: + case LIST_LAYOUT.LSV: case LIST_LAYOUT.CYCLIC_VOLTAMMETRY: default: return 2; @@ -71,6 +72,7 @@ const spectraOps = { [LIST_LAYOUT.DSC]: { head: 'DIFFERENTIAL SCANNING CALORIMETRY', tail: ' SECONDS' }, [LIST_LAYOUT.MS]: { head: 'MASS', tail: ' m/z' }, [LIST_LAYOUT.XRD]: { head: 'XRD', tail: '.' }, + [LIST_LAYOUT.LSV]: { head: 'LSV', tail: '.' }, [LIST_LAYOUT.CYCLIC_VOLTAMMETRY]: { head: 'CV', tail: '.' }, [LIST_LAYOUT.CDS]: { head: 'CIRCULAR DICHROISM SPECTROSCOPY', tail: '.' }, [LIST_LAYOUT.SEC]: { head: 'SIZE EXCLUSION CHROMATOGRAPHY', tail: '.' }, @@ -335,6 +337,7 @@ const peaksBody = ({ || layout === LIST_LAYOUT.TGA || layout === LIST_LAYOUT.DSC || layout === LIST_LAYOUT.CYCLIC_VOLTAMMETRY + || layout === LIST_LAYOUT.LSV || layout === LIST_LAYOUT.CDS || layout === LIST_LAYOUT.SEC || layout === LIST_LAYOUT.GC) { @@ -380,6 +383,7 @@ const isHplcUvVisLayout = (layoutSt) => (LIST_LAYOUT.HPLC_UVVIS === layoutSt); const isTGALayout = (layoutSt) => (LIST_LAYOUT.TGA === layoutSt); const isDSCLayout = (layoutSt) => (LIST_LAYOUT.DSC === layoutSt); const isXRDLayout = (layoutSt) => (LIST_LAYOUT.XRD === layoutSt); +const isLSVLayout = (layoutSt) => (LIST_LAYOUT.LSV === layoutSt); const isCyclicVoltaLayout = (layoutSt) => (LIST_LAYOUT.CYCLIC_VOLTAMMETRY === layoutSt); const isCDSLayout = (layoutSt) => (LIST_LAYOUT.CDS === layoutSt); const isSECLayout = (layoutSt) => (LIST_LAYOUT.SEC === layoutSt); @@ -390,7 +394,11 @@ const isEmWaveLayout = (layoutSt) => ( ); const hasMultiCurves = (layoutSt) => ( [ - LIST_LAYOUT.CYCLIC_VOLTAMMETRY, LIST_LAYOUT.SEC, LIST_LAYOUT.GC, LIST_LAYOUT.AIF, + LIST_LAYOUT.CYCLIC_VOLTAMMETRY, + LIST_LAYOUT.LSV, + LIST_LAYOUT.SEC, + LIST_LAYOUT.GC, + LIST_LAYOUT.AIF, ].indexOf(layoutSt) >= 0 ); const isAIFLayout = (layoutSt) => (LIST_LAYOUT.AIF === layoutSt); @@ -556,6 +564,7 @@ const Format = { isTGALayout, isDSCLayout, isXRDLayout, + isLSVLayout, isCyclicVoltaLayout, isCDSLayout, isSECLayout, diff --git a/src/index.js b/src/index.js index d6a127b7..55ef8f16 100644 --- a/src/index.js +++ b/src/index.js @@ -36,6 +36,7 @@ import xrdJcamp2 from './__tests__/fixtures/xrd_jcamp_2'; import cyclicVoltaJcamp1 from './__tests__/fixtures/cyclic_voltammetry_1'; import cyclicVoltaJcamp2 from './__tests__/fixtures/cyclic_voltammetry_2'; import cyclicVoltaJcamp3 from './__tests__/fixtures/cyclic_voltammetry_3'; +import lsvJcamp from './__tests__/fixtures/lsv_jcamp'; import cdsJcamp from './__tests__/fixtures/cds_jcamp'; import secJcamp1 from './__tests__/fixtures/sec_1_jcamp'; import secJcamp2 from './__tests__/fixtures/sec_2_jcamp'; @@ -76,6 +77,7 @@ const xrdEntity2 = FN.ExtractJcamp(xrdJcamp2); const cyclicVoltaEntity1 = FN.ExtractJcamp(cyclicVoltaJcamp1); const cyclicVoltaEntity2 = FN.ExtractJcamp(cyclicVoltaJcamp2); const cyclicVoltaEntity3 = FN.ExtractJcamp(cyclicVoltaJcamp3); +const lsvEntity = FN.ExtractJcamp(lsvJcamp); const cdsEntity = FN.ExtractJcamp(cdsJcamp); const secEntity1 = FN.ExtractJcamp(secJcamp1); const secEntity2 = FN.ExtractJcamp(secJcamp2); @@ -172,6 +174,8 @@ class DemoWriteIr extends React.Component { return xrdEntity1; case 'cyclic volta': return cyclicVoltaEntity2; + case 'lsv': + return lsvEntity; case 'cds': return cdsEntity; case 'sec': @@ -473,7 +477,7 @@ class DemoWriteIr extends React.Component { predictions, } - const molSvg = ['nmr 1h', 'ir', 'cyclic volta'].indexOf(typ) >= 0 ? Phenylalanin.path : ''; + const molSvg = ['nmr 1h', 'ir', 'cyclic volta', 'lsv'].indexOf(typ) >= 0 ? Phenylalanin.path : ''; const others = this.loadOthers(); return ( @@ -590,6 +594,14 @@ class DemoWriteIr extends React.Component { > CV +