fix: peak shape drawing (#1767)

* chore: change default shape to Lorentzian. close: #1747 * chore: pass from-to to peakToXY close: #1746
cheminfo · Sep 23, 2022 · 90a75a7 · 90a75a7
1 parent 53abe16
commit 90a75a7
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Showing 6 changed files with 28 additions and 13 deletions.
diff --git a/package-lock.json b/package-lock.json
diff --git a/package.json b/package.json
@@ -76,7 +76,7 @@
     "nmr-correlation": "^2.3.3",
     "nmr-load-save": "^0.2.1",
     "nmr-parser": "^2.0.1",
-    "nmr-processing": "^9.1.0",
+    "nmr-processing": "^9.2.0",
     "nmredata": "^0.7.1",
     "numeral": "^2.0.6",
     "openchemlib": "^8.0.1",
@@ -127,4 +127,4 @@
     "typescript": "~4.8.3",
     "vite": "^3.1.1"
   }
-}
+}
diff --git a/src/component/1d/peaks/PeaksShapes.tsx b/src/component/1d/peaks/PeaksShapes.tsx
@@ -46,7 +46,6 @@ function PeaksShapesItems(props: { vAlign: number }) {
       {' '}
       {spectrum.peaks.values.map((peak) => {
         const { fill, path } = getPath({ target: 'peakShape', peak });
-
         return (
           <path
             key={peak.id}

diff --git a/src/component/1d/peaks/usePeakShapesPath.ts b/src/component/1d/peaks/usePeakShapesPath.ts
@@ -25,16 +25,20 @@ export function usePeakShapesPath(spectrum: Datum1D) {
   } {
     const { target } = options;
 
+    const frequency = spectrum.info.originFrequency;
     let pathSeries: DataXY<DoubleArray> | null = null;
     switch (target) {
       case 'peakShape':
         pathSeries = peakToXY(options.peak, {
-          frequency: spectrum.info.originFrequency,
+          frequency,
+          nbPoints: 1024,
+          from: options.peak.x - (options.peak.width / frequency) * 9,
+          to: options.peak.x + (options.peak.width / frequency) * 9,
         });
         break;
       case 'peaksSum':
         pathSeries = peaksToXY(options.peaks, {
-          frequency: spectrum.info.originFrequency,
+          frequency,
           nbPoints: width,
           from: xDomain[0],
           to: xDomain[1],

diff --git a/src/data/data1d/Spectrum1D/peaks/autoPeakPicking.ts b/src/data/data1d/Spectrum1D/peaks/autoPeakPicking.ts
@@ -30,6 +30,7 @@ export function autoPeakPicking(datum1D: Datum1D, options) {
     {
       frequency,
       direction,
+      shape: { kind: 'lorentzian' },
       noiseLevel: noise * noiseFactor,
       minMaxRatio, // Threshold to determine if a given peak should be considered as a noise
       realTopDetection: true,

diff --git a/src/data/data1d/Spectrum1D/ranges/autoRangesDetection.ts b/src/data/data1d/Spectrum1D/ranges/autoRangesDetection.ts
@@ -4,6 +4,7 @@ import { Datum1D, Range } from '../../../types/data1d';
 
 const defaultPeakPickingOptions = {
   minMaxRatio: 1,
+  shape: { kind: 'lorentzian' },
   realTopDetection: true,
   maxCriteria: true,
   smoothY: false,