spectrum-generator - npm Package Compare versions

Comparing version 6.0.0 to 6.0.1

lib-esm/Spectrum2DGenerator.js

@@ -119,4 +119,3 @@ import { getShape2D } from 'ml-peak-shape-generator';
         }
-        this.shape.fwhmX = fwhm.x;
-        this.shape.fwhmY = fwhm.y;
+        this.shape.fwhm = fwhm;
         for (let xIndex = firstPoint.x; xIndex < lastPoint.x; xIndex++) {
@@ -123,0 +122,0 @@ for (let yIndex = firstPoint.y; yIndex < lastPoint.y; yIndex++) {

lib-esm/SpectrumGenerator.js

@@ -54,3 +54,2 @@ import { getShape1D } from 'ml-peak-shape-generator';
         }
-        return this;
     }
@@ -85,5 +84,3 @@ /**
             this.maxPeakHeight = intensity;
-        let { fwhm = peakFWHM === undefined
-            ? this.peakWidthFct(xPosition)
-            : peakFWHM, widthLeft, widthRight, shape: shapeOptions, } = options;
+        let { fwhm = peakFWHM === undefined ? this.peakWidthFct(xPosition) : peakFWHM, widthLeft, widthRight, shape: shapeOptions, } = options;
         if (peakShapeOptions) {
@@ -123,3 +120,2 @@ shapeOptions = shapeOptions
         }
-        return this;
     }
@@ -126,0 +122,0 @@ /**

lib/Spectrum2DGenerator.d.ts

@@ -76,3 +76,9 @@ import type { Shape2D, XYNumber } from 'ml-peak-shape-generator';
 }
-export declare class Spectrum2DGenerator {
+export interface ISpectrum2DGenerator {
+    addPeaks(peaks: Peak2D[] | Peak2DSeries, options?: AddPeak2DOptions): void;
+    addPeak(peak: Peak2D, options?: AddPeak2DOptions): void;
+    getSpectrum(options?: GetSpectrum2DOptions | boolean): void;
+    reset(): void;
+}
+export declare class Spectrum2DGenerator implements ISpectrum2DGenerator {
     private from;
@@ -79,0 +85,0 @@ private to;

lib/Spectrum2DGenerator.js

@@ -122,4 +122,3 @@ "use strict";
         }
-        this.shape.fwhmX = fwhm.x;
-        this.shape.fwhmY = fwhm.y;
+        this.shape.fwhm = fwhm;
         for (let xIndex = firstPoint.x; xIndex < lastPoint.x; xIndex++) {
@@ -126,0 +125,0 @@ for (let yIndex = firstPoint.y; yIndex < lastPoint.y; yIndex++) {

lib/SpectrumGenerator.d.ts

@@ -100,3 +100,12 @@ import type { DataXY } from 'cheminfo-types';
 }
-export declare class SpectrumGenerator {
+export interface ISpectrumGenerator {
+    interval: number;
+    addPeaks(peaks: Peak1D[] | PeakSeries, options?: AddPeakOptions): void;
+    addPeak(peak: Peak1D, options?: AddPeakOptions): void;
+    addBaseline(baselineFct: NumToNumFn): void;
+    addNoise(percent: number, options?: AddNoiseOptions): void;
+    getSpectrum(options: GetSpectrumOptions | boolean): DataXY;
+    reset(): void;
+}
+export declare class SpectrumGenerator implements ISpectrumGenerator {
     private from;
@@ -115,3 +124,3 @@ private to;
      */
-    addPeaks(peaks: Peak1D[] | PeakSeries, options?: AddPeakOptions): this;
+    addPeaks(peaks: Peak1D[] | PeakSeries, options?: AddPeakOptions): void;
     /**
@@ -122,3 +131,3 @@ * Add a single peak to the spectrum.
      */
-    addPeak(peak: Peak1D, options?: AddPeakOptions): this;
+    addPeak(peak: Peak1D, options?: AddPeakOptions): void;
     /**
@@ -133,3 +142,3 @@ * Add a baseline to the spectrum.
      */
-    addNoise(percent: number, options: AddNoiseOptions): this;
+    addNoise(percent: number, options?: AddNoiseOptions): this;
     /**
@@ -136,0 +145,0 @@ * Get the generated spectrum.

lib/SpectrumGenerator.js

@@ -60,3 +60,2 @@ "use strict";
         }
-        return this;
     }
@@ -91,5 +90,3 @@ /**
             this.maxPeakHeight = intensity;
-        let { fwhm = peakFWHM === undefined
-            ? this.peakWidthFct(xPosition)
-            : peakFWHM, widthLeft, widthRight, shape: shapeOptions, } = options;
+        let { fwhm = peakFWHM === undefined ? this.peakWidthFct(xPosition) : peakFWHM, widthLeft, widthRight, shape: shapeOptions, } = options;
         if (peakShapeOptions) {
@@ -129,3 +126,2 @@ shapeOptions = shapeOptions
         }
-        return this;
     }
@@ -132,0 +128,0 @@ /**

package.json

 {
   "name": "spectrum-generator",
-  "version": "6.0.0",
+  "version": "6.0.1",
   "description": "generate a spectrum from discrete peaks",
@@ -68,5 +68,5 @@ "main": "./lib/index.js",
     "ml-array-min": "^1.2.2",
-    "ml-peak-shape-generator": "^3.0.1",
+    "ml-peak-shape-generator": "^3.0.3",
     "ml-xsadd": "^2.0.0"
   }
 }

src/Spectrum2DGenerator.ts

@@ -93,3 +93,10 @@ import { getShape2D } from 'ml-peak-shape-generator';
 
-export class Spectrum2DGenerator {
+export interface ISpectrum2DGenerator {
+  addPeaks(peaks: Peak2D[] | Peak2DSeries, options?: AddPeak2DOptions): void;
+  addPeak(peak: Peak2D, options?: AddPeak2DOptions): void;
+  getSpectrum(options?: GetSpectrum2DOptions | boolean): void;
+  reset(): void;
+}
+
+export class Spectrum2DGenerator implements ISpectrum2DGenerator {
   private from: XYNumber;
@@ -242,3 +249,2 @@ private to: XYNumber;
     fwhm = ensureXYNumber(fwhm);
-
     let factor =
@@ -264,4 +270,3 @@ options.factor === undefined ? this.shape.getFactor() : options.factor;
 
-    this.shape.fwhmX = fwhm.x;
-    this.shape.fwhmY = fwhm.y;
+    this.shape.fwhm = fwhm;
     for (let xIndex = firstPoint.x; xIndex < lastPoint.x; xIndex++) {
@@ -268,0 +273,0 @@ for (let yIndex = firstPoint.y; yIndex < lastPoint.y; yIndex++) {

src/SpectrumGenerator.ts

 import type { DataXY } from 'cheminfo-types';
 import { getShape1D } from 'ml-peak-shape-generator';
-import type { Shape1D, Shape1DClass} from 'ml-peak-shape-generator';
+import type { Shape1D, Shape1DClass } from 'ml-peak-shape-generator';
 
@@ -107,3 +107,13 @@ import type { PeakSeries, Peak1D } from './types/Peaks1D';
 
-export class SpectrumGenerator {
+export interface ISpectrumGenerator {
+  interval: number;
+  addPeaks(peaks: Peak1D[] | PeakSeries, options?: AddPeakOptions): void;
+  addPeak(peak: Peak1D, options?: AddPeakOptions): void;
+  addBaseline(baselineFct: NumToNumFn): void;
+  addNoise(percent: number, options?: AddNoiseOptions): void;
+  getSpectrum(options: GetSpectrumOptions | boolean): DataXY;
+  reset(): void;
+}
+
+export class SpectrumGenerator implements ISpectrumGenerator {
   private from: number;
@@ -155,2 +165,3 @@ private to: number;
   }
+
   /**
@@ -183,4 +194,2 @@ * Add a series of peaks to the spectrum.
     }
-
-    return this;
   }
@@ -224,5 +233,3 @@ /**
     let {
-      fwhm = peakFWHM === undefined
-        ? this.peakWidthFct(xPosition)
-        : peakFWHM,
+      fwhm = peakFWHM === undefined ? this.peakWidthFct(xPosition) : peakFWHM,
       widthLeft,
@@ -246,4 +253,5 @@ widthRight,
 
-    if (!widthLeft || !widthRight)
-      {throw new Error('Width left or right is undefined or zero');}
+    if (!widthLeft || !widthRight) {
+      throw new Error('Width left or right is undefined or zero');
+    }
 
@@ -284,4 +292,2 @@ let factor =
     }
-
-    return this;
   }
@@ -302,3 +308,3 @@
    */
-  public addNoise(percent: number, options: AddNoiseOptions) {
+  public addNoise(percent: number, options?: AddNoiseOptions) {
     addNoise(this.data, percent, options);
@@ -305,0 +311,0 @@ return this;

src/types/ml-spectra-processing/index.ts

 declare module 'ml-spectra-processing' {
   import { DoubleArray } from 'cheminfo-types';
 
-  function xyMaxYPoint(data: {
-    x: DoubleArray;
-    y: DoubleArray;
-  }): {
+  function xyMaxYPoint(data: { x: DoubleArray; y: DoubleArray }): {
     x: number;
@@ -9,0 +6,0 @@ y: number;

src/util/addNoise.ts

@@ -5,3 +5,2 @@ import type { DataXY } from 'cheminfo-types';
 
-
 type Distributions = 'uniform' | 'normal';
@@ -8,0 +7,0 @@

New alerts

License Policy Violation

License

This package is not allowed per your license policy. Review the package's license to ensure compliance.

Found 1 instance in 1 package

Fixed alerts

License Policy Violation

License

This package is not allowed per your license policy. Review the package's license to ensure compliance.

Found 1 instance in 1 package

Improved metrics

Total package byte prevSize

111799

increased by0.82%

Lines of code

2117

increased by0.62%

Dependency changes

• Updatedml-peak-shape-generator@^3.0.3