spectrum-generator - npm Package Compare versions

Comparing version 4.2.0 to 4.3.0

CHANGELOG.md

 # Changelog
 
+## [4.3.0](https://www.github.com/cheminfo/spectrum-generator/compare/v4.2.0...v4.3.0) (2020-10-29)
+
+
+### Features
+
+* allow x,y,width objects to addPeak ([d3da510](https://www.github.com/cheminfo/spectrum-generator/commit/d3da5107fce78867e7ff59e9f6c611d49d69fd3a))
+
+
+### Bug Fixes
+
+* correct examples for typescript ([fa44388](https://www.github.com/cheminfo/spectrum-generator/commit/fa443880c0ff3f437c0c5228d127f652bf813a86))
+
 ## [4.2.0](https://www.github.com/cheminfo/spectrum-generator/compare/v4.1.2...v4.2.0) (2020-10-15)
@@ -4,0 +16,0 @@

lib/index.js

@@ -137,6 +137,8 @@ 'use strict';
       typeof peak !== 'object' ||
-      (peak.length !== 2 && (peak.x === undefined || peak.y === undefined))
+      (peak.length !== 2 &&
+        peak.length !== 3 &&
+        (peak.x === undefined || peak.y === undefined))
     ) {
       throw new Error(
-        'peak must be an array with two values or an object with {x,y}',
+        'peak must be an array with two (or three) values or an object with {x,y,width?}',
       );
@@ -146,7 +148,9 @@ }
     let intensity;
+    let peakWidth;
     if (Array.isArray(peak)) {
-      [xPosition, intensity] = peak;
+      [xPosition, intensity, peakWidth] = peak;
     } else {
       xPosition = peak.x;
       intensity = peak.y;
+      peakWidth = peak.width;
     }
@@ -157,3 +161,5 @@
     let {
-      width = this.peakWidthFct(xPosition),
+      width = peakWidth === undefined
+        ? this.peakWidthFct(xPosition)
+        : peakWidth,
       widthLeft,
@@ -160,0 +166,0 @@ widthRight,

package.json

 {
   "name": "spectrum-generator",
-  "version": "4.2.0",
+  "version": "4.3.0",
   "description": "generate a spectrum from discrete peaks",
@@ -5,0 +5,0 @@ "main": "lib/index.js",

spectrum-generator.d.ts

@@ -95,2 +95,3 @@ export interface SpectrumGeneratorOptions {
   y: number;
+  width?: number;
 }
@@ -102,2 +103,3 @@
    * @example
+   * ```js
    * import SG from 'spectrum-generator';
@@ -113,5 +115,7 @@ * const sg = new SG({from: 0, to: 100, nbPoints: 1001, peakWidthFct: (x) => 1 + 3 * x / 1000 });
    * sg.addBaseline( (x) => x * x / 100 );
-   * var spectrum = sg.getSpectrum();
-   *
+   * const spectrum = sg.getSpectrum();
+   * ```
+   * 
    * @example
+   * ```js
    * import SG from 'spectrum-generator';
@@ -130,2 +134,3 @@ * const spectrum=SG.generateSpectrum([ [20,3], [30,2], [40,2] ], {
    * })
+   * ```
    */
@@ -132,0 +137,0 @@ constructor(options?: SpectrumGeneratorOptions);

src/__tests__/errors.test.js

@@ -8,3 +8,4 @@ import { SpectrumGenerator } from '..';
 const addPeaksReg = /^peaks must be an array/;
-const addPeakReg = /^peak must be an array with two values or an object with {x,y}$/;
+const addPeakError =
+  'peak must be an array with two (or three) values or an object with {x,y,width?}';
 
@@ -44,9 +45,9 @@ describe('errors', () => {
     const generator = new SpectrumGenerator();
-    expect(() => generator.addPeak()).toThrow(addPeakReg);
-    expect(() => generator.addPeak({})).toThrow(addPeakReg);
-    expect(() => generator.addPeak({})).toThrow(addPeakReg);
-    expect(() => generator.addPeak([])).toThrow(addPeakReg);
-    expect(() => generator.addPeak([1])).toThrow(addPeakReg);
-    expect(() => generator.addPeak([1, 2, 3])).toThrow(addPeakReg);
+    expect(() => generator.addPeak()).toThrow(addPeakError);
+    expect(() => generator.addPeak({})).toThrow(addPeakError);
+    expect(() => generator.addPeak({})).toThrow(addPeakError);
+    expect(() => generator.addPeak([])).toThrow(addPeakError);
+    expect(() => generator.addPeak([1])).toThrow(addPeakError);
+    expect(() => generator.addPeak([1, 2, 3, 4])).toThrow(addPeakError);
   });
 });

src/__tests__/SpectrumGenerator.shapes.test.js

@@ -90,2 +90,75 @@ import { xyMaxYPoint } from 'ml-spectra-processing';
   });
+
+  it('generation with [{x,y,width}]', () => {
+    const generator = new SpectrumGenerator({
+      from: 0,
+      to: 10,
+      nbPoints: 101,
+      peakWidthFct: () => 5,
+    });
+
+    generator.addPeak({ x: 3, y: 10, width: 1 });
+
+    generator.addPeak([7, 10, 1]);
+
+    const spectrum = generator.getSpectrum();
+
+    const ys = spectrum.y;
+
+    expect(ys[25]).toBe(5);
+    expect(ys[30]).toBe(10);
+    expect(ys[35]).toBe(5);
+    expect(ys[65]).toBe(5);
+    expect(ys[70]).toBe(10);
+    expect(ys[75]).toBe(5);
+
+    expect(ys[31] === ys[71]).toBe(true);
+  });
+
+  it('test various width', () => {
+    let spectrumGenerator = new SpectrumGenerator({
+      from: 0,
+      to: 10,
+      nbPoints: 101,
+      peakWidthFct: () => 0.1,
+      shape: {
+        kind: 'lorentzian',
+        options: {
+          length: 13,
+          fwhm: 4,
+        },
+      },
+    });
+    spectrumGenerator.addPeak(
+      { x: 2.5, y: 2 },
+      {
+        width: 0.1,
+        shape: {
+          kind: 'lorentzian',
+          options: {
+            length: 13,
+            fwhm: 4,
+          },
+        },
+      },
+    );
+    spectrumGenerator.addPeak(
+      { x: 5, y: 1 },
+      {
+        width: 0.2,
+        shape: {
+          kind: 'gaussian',
+          options: {
+            length: 13,
+            fwhm: 4,
+          },
+        },
+      },
+    );
+    const spectrum = spectrumGenerator.getSpectrum();
+    let max = xyMaxYPoint(spectrum);
+    expect(spectrum.y[49]).toBe(0.5);
+    expect(max.x).toBe(2.5);
+    expect(max.y).toBe(2);
+  });
 });

src/index.js

@@ -79,6 +79,8 @@ import normed from 'ml-array-normed';
       typeof peak !== 'object' ||
-      (peak.length !== 2 && (peak.x === undefined || peak.y === undefined))
+      (peak.length !== 2 &&
+        peak.length !== 3 &&
+        (peak.x === undefined || peak.y === undefined))
     ) {
       throw new Error(
-        'peak must be an array with two values or an object with {x,y}',
+        'peak must be an array with two (or three) values or an object with {x,y,width?}',
       );
@@ -88,7 +90,9 @@ }
     let intensity;
+    let peakWidth;
     if (Array.isArray(peak)) {
-      [xPosition, intensity] = peak;
+      [xPosition, intensity, peakWidth] = peak;
     } else {
       xPosition = peak.x;
       intensity = peak.y;
+      peakWidth = peak.width;
     }
@@ -99,3 +103,5 @@
     let {
-      width = this.peakWidthFct(xPosition),
+      width = peakWidth === undefined
+        ? this.peakWidthFct(xPosition)
+        : peakWidth,
       widthLeft,
@@ -102,0 +108,0 @@ widthRight,

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

46394

increased by5.42%

Lines of code

1224

increased by7.27%

No dependency changes