ml-gsd - npm Package Compare versions

Comparing version 11.3.0 to 12.0.0

lib-esm/gsd.js

 import { sgg } from 'ml-savitzky-golay-generalized';
 import { xIsEquallySpaced, xIsMonotoneIncreasing, xMinValue, xMaxValue, xNoiseStandardDeviation, } from 'ml-spectra-processing';
-import { appendShapeAndFWHM } from './utils/appendShapeAndFWHM';
 import { optimizeTop } from './utils/optimizeTop';
+import { setShape } from './utils/setShape';
 /**
@@ -189,4 +189,4 @@ * Global spectra deconvolution
     });
-    return appendShapeAndFWHM(peaks, { shape });
+    return setShape(peaks, { shape });
 }
 //# sourceMappingURL=gsd.js.map

lib-esm/index.d.ts

@@ -6,3 +6,4 @@ export * from './gsd';
 export * from './post/broadenPeaks';
-export * from './utils/appendShapeAndFWHM';
+export * from './utils/setShape';
+export * from './utils/addMissingShape';
 export * from './GSDBroadenPeak';
@@ -9,0 +10,0 @@ export * from './GSDPeak';

lib-esm/index.js

@@ -6,3 +6,4 @@ export * from './gsd';
 export * from './post/broadenPeaks';
-export * from './utils/appendShapeAndFWHM';
+export * from './utils/setShape';
+export * from './utils/addMissingShape';
 export * from './GSDBroadenPeak';
@@ -9,0 +10,0 @@ export * from './GSDPeak';

lib-esm/post/joinBroadPeaks.d.ts

@@ -27,3 +27,6 @@ import type { Shape1D } from 'ml-peak-shape-generator';
  */
-export declare function joinBroadPeaks(peakList: GSDPeak[], options?: JoinBroadPeaksOptions): GSDPeak[];
+export interface GSDPeakWithOptionalShape extends Omit<GSDPeak, 'shape'> {
+    shape?: Shape1D;
+}
+export declare function joinBroadPeaks(peakList: GSDPeakWithOptionalShape[], options?: JoinBroadPeaksOptions): GSDPeak[];
 //# sourceMappingURL=joinBroadPeaks.d.ts.map

lib-esm/post/joinBroadPeaks.js

@@ -1,6 +0,3 @@
-import { appendShapeAndFWHM } from '../utils/appendShapeAndFWHM';
+import { addMissingShape } from '../utils/addMissingShape';
 import { optimizePeaks } from './optimizePeaks';
-/**
- * This function tries to join the peaks that seems to belong to a broad signal in a single broad peak.
- */
 export function joinBroadPeaks(peakList, options = {}) {
@@ -12,3 +9,3 @@ let { shape = { kind: 'gaussian' }, optimization = { kind: 'lm', options: { timeout: 10 } }, broadWidth = 0.25, broadRatio = 0.0025, } = options;
     const broadLines = [];
-    const peaks = appendShapeAndFWHM(peakList, { shape });
+    const peaks = addMissingShape(peakList, { shape });
     if (peaks.length < 2)
@@ -15,0 +12,0 @@ return peaks;

lib-esm/post/optimizePeaksWithLogs.js

 import { getShape1D } from 'ml-peak-shape-generator';
 import { optimize } from 'ml-spectra-fitting';
 import { xGetFromToIndex } from 'ml-spectra-processing';
-import { appendShapeAndFWHM } from '../utils/appendShapeAndFWHM';
+import { addMissingShape } from '../utils/addMissingShape';
 import { groupPeaks } from '../utils/groupPeaks';
@@ -30,3 +30,3 @@ /**
         // In order to make optimization we will add fwhm and shape on all the peaks
-        const peaks = appendShapeAndFWHM(peakGroup, { shape });
+        const peaks = addMissingShape(peakGroup, { shape });
         const firstPeak = peaks[0];
@@ -33,0 +33,0 @@ const lastPeak = peaks[peaks.length - 1];

lib/gsd.js

@@ -6,4 +6,4 @@ "use strict";
 const ml_spectra_processing_1 = require("ml-spectra-processing");
-const appendShapeAndFWHM_1 = require("./utils/appendShapeAndFWHM");
 const optimizeTop_1 = require("./utils/optimizeTop");
+const setShape_1 = require("./utils/setShape");
 /**
@@ -193,5 +193,5 @@ * Global spectra deconvolution
     });
-    return (0, appendShapeAndFWHM_1.appendShapeAndFWHM)(peaks, { shape });
+    return (0, setShape_1.setShape)(peaks, { shape });
 }
 exports.gsd = gsd;
 //# sourceMappingURL=gsd.js.map

lib/index.d.ts

@@ -6,3 +6,4 @@ export * from './gsd';
 export * from './post/broadenPeaks';
-export * from './utils/appendShapeAndFWHM';
+export * from './utils/setShape';
+export * from './utils/addMissingShape';
 export * from './GSDBroadenPeak';
@@ -9,0 +10,0 @@ export * from './GSDPeak';

lib/index.js

@@ -22,3 +22,4 @@ "use strict";
 __exportStar(require("./post/broadenPeaks"), exports);
-__exportStar(require("./utils/appendShapeAndFWHM"), exports);
+__exportStar(require("./utils/setShape"), exports);
+__exportStar(require("./utils/addMissingShape"), exports);
 __exportStar(require("./GSDBroadenPeak"), exports);
@@ -25,0 +26,0 @@ __exportStar(require("./GSDPeak"), exports);

lib/post/joinBroadPeaks.d.ts

@@ -27,3 +27,6 @@ import type { Shape1D } from 'ml-peak-shape-generator';
  */
-export declare function joinBroadPeaks(peakList: GSDPeak[], options?: JoinBroadPeaksOptions): GSDPeak[];
+export interface GSDPeakWithOptionalShape extends Omit<GSDPeak, 'shape'> {
+    shape?: Shape1D;
+}
+export declare function joinBroadPeaks(peakList: GSDPeakWithOptionalShape[], options?: JoinBroadPeaksOptions): GSDPeak[];
 //# sourceMappingURL=joinBroadPeaks.d.ts.map

lib/post/joinBroadPeaks.js

 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.joinBroadPeaks = void 0;
-const appendShapeAndFWHM_1 = require("../utils/appendShapeAndFWHM");
+const addMissingShape_1 = require("../utils/addMissingShape");
 const optimizePeaks_1 = require("./optimizePeaks");
-/**
- * This function tries to join the peaks that seems to belong to a broad signal in a single broad peak.
- */
 function joinBroadPeaks(peakList, options = {}) {
@@ -15,3 +12,3 @@ let { shape = { kind: 'gaussian' }, optimization = { kind: 'lm', options: { timeout: 10 } }, broadWidth = 0.25, broadRatio = 0.0025, } = options;
     const broadLines = [];
-    const peaks = (0, appendShapeAndFWHM_1.appendShapeAndFWHM)(peakList, { shape });
+    const peaks = (0, addMissingShape_1.addMissingShape)(peakList, { shape });
     if (peaks.length < 2)
@@ -18,0 +15,0 @@ return peaks;

lib/post/optimizePeaksWithLogs.js

@@ -7,3 +7,3 @@ "use strict";
 const ml_spectra_processing_1 = require("ml-spectra-processing");
-const appendShapeAndFWHM_1 = require("../utils/appendShapeAndFWHM");
+const addMissingShape_1 = require("../utils/addMissingShape");
 const groupPeaks_1 = require("../utils/groupPeaks");
@@ -34,3 +34,3 @@ /**
         // In order to make optimization we will add fwhm and shape on all the peaks
-        const peaks = (0, appendShapeAndFWHM_1.appendShapeAndFWHM)(peakGroup, { shape });
+        const peaks = (0, addMissingShape_1.addMissingShape)(peakGroup, { shape });
         const firstPeak = peaks[0];
@@ -37,0 +37,0 @@ const lastPeak = peaks[peaks.length - 1];

package.json

 {
   "name": "ml-gsd",
-  "version": "11.3.0",
+  "version": "12.0.0",
   "description": "Global Spectra Deconvolution",
@@ -5,0 +5,0 @@ "main": "./lib/index.js",

src/gsd.ts

@@ -13,4 +13,4 @@ import type { DataXY } from 'cheminfo-types';
 import { GSDPeak } from './GSDPeak';
-import { appendShapeAndFWHM } from './utils/appendShapeAndFWHM';
 import { optimizeTop } from './utils/optimizeTop';
+import { setShape } from './utils/setShape';
 
@@ -278,3 +278,3 @@ export interface GSDOptions {
 
-  return appendShapeAndFWHM(peaks, { shape });
+  return setShape(peaks, { shape });
 }

src/index.ts

@@ -6,5 +6,6 @@ export * from './gsd';
 export * from './post/broadenPeaks';
-export * from './utils/appendShapeAndFWHM';
+export * from './utils/setShape';
+export * from './utils/addMissingShape';
 export * from './GSDBroadenPeak';
 export * from './GSDPeak';
 export * from './GSDPeakOptimized';

src/post/joinBroadPeaks.ts

@@ -6,3 +6,3 @@ import type { Shape1D } from 'ml-peak-shape-generator';
 import { GSDPeakOptimized } from '../GSDPeakOptimized';
-import { appendShapeAndFWHM } from '../utils/appendShapeAndFWHM';
+import { addMissingShape } from '../utils/addMissingShape';
 
@@ -36,4 +36,7 @@ import { optimizePeaks } from './optimizePeaks';
 
+export interface GSDPeakWithOptionalShape extends Omit<GSDPeak, 'shape'> {
+  shape?: Shape1D;
+}
 export function joinBroadPeaks(
-  peakList: GSDPeak[],
+  peakList: GSDPeakWithOptionalShape[],
   options: JoinBroadPeaksOptions = {},
@@ -52,3 +55,3 @@ ): GSDPeak[] {
   const broadLines: GSDPeakOptimized[] = [];
-  const peaks = appendShapeAndFWHM(peakList, { shape });
+  const peaks = addMissingShape(peakList, { shape });
 
@@ -55,0 +58,0 @@ if (peaks.length < 2) return peaks;

src/post/optimizePeaksWithLogs.ts

@@ -7,3 +7,3 @@ import type { DataXY, PeakXYWidth } from 'cheminfo-types';
 import { GSDPeakOptimized } from '../GSDPeakOptimized';
-import { appendShapeAndFWHM } from '../utils/appendShapeAndFWHM';
+import { addMissingShape } from '../utils/addMissingShape';
 import { groupPeaks } from '../utils/groupPeaks';
@@ -49,3 +49,3 @@
     // In order to make optimization we will add fwhm and shape on all the peaks
-    const peaks = appendShapeAndFWHM(peakGroup, { shape });
+    const peaks = addMissingShape(peakGroup, { shape });
 
@@ -52,0 +52,0 @@ const firstPeak = peaks[0];

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Improved metrics

Total package byte prevSize

2632471

increased by0.4%

Number of package files

149

increased by7.19%

Lines of code

10440

increased by2.82%

No dependency changes