spectrum-generator - npm Package Compare versions

Comparing version 8.0.11 to 8.0.12

lib-esm/Spectrum2DGenerator.js

@@ -67,6 +67,6 @@ import { getShape2D } from 'ml-peak-shape-generator';
             for (const c of peakCoordinates) {
-                if (peaks[c] && Array.isArray(peaks[c])) {
-                    if (nbPeaks !== peaks[c].length) {
-                        throw new Error('x, y, z should have the same length');
-                    }
+                if (peaks[c] &&
+                    Array.isArray(peaks[c]) &&
+                    nbPeaks !== peaks[c].length) {
+                    throw new Error('x, y, z should have the same length');
                 }
@@ -117,3 +117,3 @@ }
             ? getShape2D(shapeOptions)
-            : Object.assign(Object.create(Object.getPrototypeOf(this.shape)), JSON.parse(JSON.stringify(this.shape)));
+            : Object.assign(Object.create(Object.getPrototypeOf(this.shape)), structuredClone(this.shape));
         let { fwhm = peakFWHM !== undefined
@@ -120,0 +120,0 @@ ? peakFWHM

lib-esm/SpectrumGenerator.js

@@ -33,2 +33,3 @@ import { getShape1D } from 'ml-peak-shape-generator';
      * @param peaks - Peaks to add.
+     * @param options
      */
@@ -152,4 +153,4 @@ addPeaks(peaks, options) {
      * Add noise to the spectrum.
-     *
      * @param percent - Noise's amplitude in percents of the spectrum max value. Default: 1.
+     * @param options
      */
@@ -162,2 +163,3 @@ addNoise(options) {
      * Get the generated spectrum.
+     * @param options
      */
@@ -195,6 +197,10 @@ getSpectrum(options = {}) {
     reset() {
-        const spectrum = this.data;
-        for (let i = 0; i < this.nbPoints; i++) {
-            spectrum.x[i] = this.from + i * this.interval;
+        if (this.nbPoints === 1) {
+            this.data.x[0] = (this.from + this.to) / 2;
         }
+        else {
+            for (let i = 0; i < this.nbPoints; i++) {
+                this.data.x[i] = this.from + i * this.interval;
+            }
+        }
         return this;
@@ -201,0 +207,0 @@ }

lib/Spectrum2DGenerator.d.ts

@@ -28,4 +28,4 @@ import type { Shape2D, XYNumber } from 'ml-peak-shape-generator';
      * @default `shape: {
-            kind: 'gaussian',
-          },`
+     * kind: 'gaussian',
+     * },`
      */
@@ -96,3 +96,3 @@ shape?: Shape2D;
         maxZ: number;
-        z: number[][] | Float64Array[];
+        z: Float64Array<ArrayBufferLike>[] | number[][];
     };
@@ -99,0 +99,0 @@ reset(): this;

lib/Spectrum2DGenerator.js

 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.generateSpectrum2D = exports.Spectrum2DGenerator = void 0;
+exports.Spectrum2DGenerator = void 0;
+exports.generateSpectrum2D = generateSpectrum2D;
 const ml_peak_shape_generator_1 = require("ml-peak-shape-generator");
@@ -70,6 +71,6 @@ const ml_spectra_processing_1 = require("ml-spectra-processing");
             for (const c of peakCoordinates) {
-                if (peaks[c] && Array.isArray(peaks[c])) {
-                    if (nbPeaks !== peaks[c].length) {
-                        throw new Error('x, y, z should have the same length');
-                    }
+                if (peaks[c] &&
+                    Array.isArray(peaks[c]) &&
+                    nbPeaks !== peaks[c].length) {
+                    throw new Error('x, y, z should have the same length');
                 }
@@ -120,3 +121,3 @@ }
             ? (0, ml_peak_shape_generator_1.getShape2D)(shapeOptions)
-            : Object.assign(Object.create(Object.getPrototypeOf(this.shape)), JSON.parse(JSON.stringify(this.shape)));
+            : Object.assign(Object.create(Object.getPrototypeOf(this.shape)), structuredClone(this.shape));
         let { fwhm = peakFWHM !== undefined
@@ -190,3 +191,2 @@ ? peakFWHM
 }
-exports.generateSpectrum2D = generateSpectrum2D;
 function ensureXYNumber(input) {
@@ -193,0 +193,0 @@ return typeof input !== 'object' ? { x: input, y: input } : { ...input };

lib/SpectrumGenerator.d.ts

@@ -107,2 +107,3 @@ import type { DataXY } from 'cheminfo-types';
      * @param peaks - Peaks to add.
+     * @param options
      */
@@ -124,4 +125,4 @@ addPeaks(peaks: Peak1D[] | PeakSeries, options?: PeakOptions): void;
      * Add noise to the spectrum.
-     *
      * @param percent - Noise's amplitude in percents of the spectrum max value. Default: 1.
+     * @param options
      */
@@ -131,4 +132,5 @@ addNoise(options?: NoiseOptions): this;
      * Get the generated spectrum.
+     * @param options
      */
-    getSpectrum(options?: GetSpectrumOptions | boolean): DataXY<Float64Array>;
+    getSpectrum(options?: GetSpectrumOptions | boolean): DataXY<Float64Array<ArrayBufferLike>>;
     /**
@@ -135,0 +137,0 @@ * Resets the generator with an empty spectrum.

lib/SpectrumGenerator.js

@@ -6,3 +6,4 @@ "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.generateSpectrum = exports.SpectrumGenerator = void 0;
+exports.SpectrumGenerator = void 0;
+exports.generateSpectrum = generateSpectrum;
 const ml_peak_shape_generator_1 = require("ml-peak-shape-generator");
@@ -40,2 +41,3 @@ const addBaseline_1 = __importDefault(require("./util/addBaseline"));
      * @param peaks - Peaks to add.
+     * @param options
      */
@@ -159,4 +161,4 @@ addPeaks(peaks, options) {
      * Add noise to the spectrum.
-     *
      * @param percent - Noise's amplitude in percents of the spectrum max value. Default: 1.
+     * @param options
      */
@@ -169,2 +171,3 @@ addNoise(options) {
      * Get the generated spectrum.
+     * @param options
      */
@@ -202,6 +205,10 @@ getSpectrum(options = {}) {
     reset() {
-        const spectrum = this.data;
-        for (let i = 0; i < this.nbPoints; i++) {
-            spectrum.x[i] = this.from + i * this.interval;
+        if (this.nbPoints === 1) {
+            this.data.x[0] = (this.from + this.to) / 2;
         }
+        else {
+            for (let i = 0; i < this.nbPoints; i++) {
+                this.data.x[i] = this.from + i * this.interval;
+            }
+        }
         return this;
@@ -239,3 +246,2 @@ }
 }
-exports.generateSpectrum = generateSpectrum;
 //# sourceMappingURL=SpectrumGenerator.js.map

lib/util/addBaseline.d.ts

 import type { DataXY } from 'cheminfo-types';
 type BaseLineFn = (x: number) => number;
-export default function addBaseline(data: DataXY, baselineFct: BaseLineFn): DataXY<import("cheminfo-types").DoubleArray>;
+export default function addBaseline(data: DataXY, baselineFct: BaseLineFn): DataXY<import("cheminfo-types").NumberArray>;
 export {};

lib/util/addBaseline.js

 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
+exports.default = addBaseline;
 function addBaseline(data, baselineFct) {
@@ -13,3 +14,2 @@ if (!baselineFct)
 }
-exports.default = addBaseline;
 //# sourceMappingURL=addBaseline.js.map

lib/util/addNoise.d.ts

@@ -22,2 +22,2 @@ import type { DataXY } from 'cheminfo-types';
 }
-export default function addNoise(data: DataXY, options?: NoiseOptions): DataXY<import("cheminfo-types").DoubleArray>;
+export default function addNoise(data: DataXY, options?: NoiseOptions): DataXY<import("cheminfo-types").NumberArray>;

lib/util/addNoise.js

 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
+exports.default = addNoise;
 const ml_spectra_processing_1 = require("ml-spectra-processing");
@@ -18,3 +19,2 @@ function addNoise(data, options = {}) {
 }
-exports.default = addNoise;
 //# sourceMappingURL=addNoise.js.map

package.json

 {
   "name": "spectrum-generator",
-  "version": "8.0.11",
+  "version": "8.0.12",
   "description": "generate a spectrum from discrete peaks",
@@ -31,3 +31,3 @@ "main": "./lib/index.js",
     "test": "npm run test-only && npm run eslint && npm run prettier && npm run check-types",
-    "test-only": "jest --coverage",
+    "test-only": "vitest run --coverage",
     "tsc": "npm run clean && npm run tsc-cjs && npm run tsc-esm",
@@ -51,19 +51,21 @@ "tsc-cjs": "tsc --project tsconfig.cjs.json",
     "@types/d3-random": "^3.0.3",
-    "@types/jest": "^29.5.12",
+    "@types/jest": "^29.5.14",
+    "@vitest/coverage-v8": "2.1.8",
     "cheminfo-build": "^1.2.0",
-    "cheminfo-types": "^1.7.2",
-    "eslint": "^8.57.0",
-    "eslint-config-cheminfo-typescript": "^12.2.0",
+    "cheminfo-types": "^1.8.1",
+    "eslint": "^9.16.0",
+    "eslint-config-cheminfo-typescript": "^17.0.0",
     "jest": "^29.7.0",
     "jest-matcher-deep-close-to": "^3.0.2",
-    "ml-savitzky-golay-generalized": "^4.0.1",
-    "prettier": "^3.2.5",
-    "rimraf": "^5.0.5",
-    "ts-jest": "^29.1.2",
-    "typescript": "^5.4.2"
+    "ml-savitzky-golay-generalized": "^4.2.0",
+    "prettier": "^3.4.2",
+    "rimraf": "^6.0.1",
+    "ts-jest": "^29.2.5",
+    "typescript": "^5.7.2",
+    "vitest": "^2.1.8"
   },
   "dependencies": {
-    "ml-peak-shape-generator": "^4.1.2",
-    "ml-spectra-processing": "^14.2.0"
+    "ml-peak-shape-generator": "^4.1.4",
+    "ml-spectra-processing": "^14.8.0"
   }
 }

src/Spectrum2DGenerator.ts

@@ -1,2 +0,2 @@
-import { getShape2D, Shape2DClass } from 'ml-peak-shape-generator';
+import { getShape2D } from 'ml-peak-shape-generator';
 import type {
@@ -6,2 +6,3 @@ Shape2D,
   XYNumber,
+  Shape2DClass,
 } from 'ml-peak-shape-generator';
@@ -53,4 +54,4 @@ import { matrixMinMaxZ } from 'ml-spectra-processing';
    * @default `shape: {
-          kind: 'gaussian',
-        },`
+   * kind: 'gaussian',
+   * },`
    */
@@ -187,6 +188,8 @@ shape?: Shape2D;
       for (const c of peakCoordinates) {
-        if (peaks[c] && Array.isArray(peaks[c])) {
-          if (nbPeaks !== peaks[c].length) {
-            throw new Error('x, y, z should have the same length');
-          }
+        if (
+          peaks[c] &&
+          Array.isArray(peaks[c]) &&
+          nbPeaks !== peaks[c].length
+        ) {
+          throw new Error('x, y, z should have the same length');
         }
@@ -251,3 +254,3 @@ }
           Object.create(Object.getPrototypeOf(this.shape)),
-          JSON.parse(JSON.stringify(this.shape)),
+          structuredClone(this.shape),
         ) as Shape2DInstance);
@@ -254,0 +257,0 @@

src/SpectrumGenerator.ts

@@ -155,2 +155,3 @@ import type { DataXY } from 'cheminfo-types';
    * @param peaks - Peaks to add.
+   * @param options
    */
@@ -279,2 +280,3 @@ public addPeaks(peaks: Peak1D[] | PeakSeries, options?: PeakOptions) {
     const middlePoint = Math.round((xPosition - this.from) / this.interval);
+
     // PEAK SHAPE MAY BE ASYMMETRC (widthLeft and widthRight) !
@@ -312,4 +314,4 @@ // we calculate the left part of the shape
    * Add noise to the spectrum.
-   *
    * @param percent - Noise's amplitude in percents of the spectrum max value. Default: 1.
+   * @param options
    */
@@ -323,2 +325,3 @@ public addNoise(options?: NoiseOptions) {
    * Get the generated spectrum.
+   * @param options
    */
@@ -356,8 +359,9 @@ public getSpectrum(options: GetSpectrumOptions | boolean = {}) {
   public reset() {
-    const spectrum = this.data;
-
-    for (let i = 0; i < this.nbPoints; i++) {
-      spectrum.x[i] = this.from + i * this.interval;
+    if (this.nbPoints === 1) {
+      this.data.x[0] = (this.from + this.to) / 2;
+    } else {
+      for (let i = 0; i < this.nbPoints; i++) {
+        this.data.x[i] = this.from + i * this.interval;
+      }
     }
-
     return this;
@@ -364,0 +368,0 @@ }

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Improved metrics

Total package byte prevSize

111837

increased by0.63%

Lines of code

2071

increased by1.07%

Worsened metrics

Dev dependency count

15

increased by15.38%

Dependency changes

• Updatedml-peak-shape-generator@^4.1.4

• Updatedml-spectra-processing@^14.8.0