ml-peak-shape-generator - npm Package Compare versions

Comparing version 4.0.1 to 4.0.2

CHANGELOG.md

 # Changelog
 
+### [4.0.2](https://www.github.com/mljs/peak-shape-generator/compare/v4.0.1...v4.0.2) (2022-01-23)
+
+
+### Bug Fixes
+
+* update dependencies ([edd036f](https://www.github.com/mljs/peak-shape-generator/commit/edd036f1d7291cde8408f6ea8073e807883880e3))
+
 ### [4.0.1](https://www.github.com/mljs/peak-shape-generator/compare/v4.0.0...v4.0.1) (2021-11-26)
@@ -4,0 +11,0 @@

lib/shapes/2d/Shape2D.d.ts

@@ -5,6 +5,6 @@ import type { Gaussian2DClassOptions } from './gaussian2D/Gaussian2D';
  */
-interface IGaussianShape2D extends Gaussian2DClassOptions {
+interface GaussianShape2D extends Gaussian2DClassOptions {
     kind: 'gaussian';
 }
-export declare type Shape2D = IGaussianShape2D;
+export declare type Shape2D = GaussianShape2D;
 export {};

package.json

 {
   "name": "ml-peak-shape-generator",
-  "version": "4.0.1",
+  "version": "4.0.2",
   "description": "Generate various peak shapes",
@@ -60,15 +60,15 @@ "main": "./lib/index.js",
   "devDependencies": {
-    "@types/jest": "^27.0.3",
+    "@types/jest": "^27.4.0",
     "compute-erfinv": "^3.0.1",
-    "eslint": "^8.3.0",
-    "eslint-config-cheminfo-typescript": "^10.2.4",
-    "jest": "^27.3.1",
-    "prettier": "^2.5.0",
+    "eslint": "^8.7.0",
+    "eslint-config-cheminfo-typescript": "^10.3.0",
+    "jest": "^27.4.7",
+    "prettier": "^2.5.1",
     "rimraf": "^3.0.2",
-    "ts-jest": "^27.0.7",
-    "typescript": "^4.5.2"
+    "ts-jest": "^27.1.3",
+    "typescript": "^4.5.5"
   },
   "dependencies": {
-    "cheminfo-types": "^0.8.0"
+    "cheminfo-types": "^0.9.1"
   }
 }

README.md

@@ -8,3 +8,2 @@ # ml-peak-shape-generator
 
-
 Generate various peak shapes.
@@ -14,6 +13,6 @@
 
-| Name         |                                                                                                                            Equation                                                                                                                             | 
-| ------------ | :-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: |
-| Gaussian     |                                                                 <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%20exp%5Cleft%5B-%5Cfrac%7B1%7D%7B2%7D%5Cfrac%7B%5Cdelta%7D%7B%5Csigma%5E2%7D%5Cright%5D"/>                                                               |
-| Lorentzian   |                                                                             <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%5Cfrac%7B%5Comega%5E2%7D%7B4%5Cdelta%20%2B%20%5Comega%5E2%7D"/>                                                                            |
+| Name         |                                                                                                                           Equation                                                                                                                            |
+| ------------ | :-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: |
+| Gaussian     |                                                          <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%20exp%5Cleft%5B-%5Cfrac%7B1%7D%7B2%7D%5Cfrac%7B%5Cdelta%7D%7B%5Csigma%5E2%7D%5Cright%5D"/>                                                          |
+| Lorentzian   |                                                                       <img src="https://tex.cheminfo.org/?tex=y%5Ccdot%5Cfrac%7B%5Comega%5E2%7D%7B4%5Cdelta%20%2B%20%5Comega%5E2%7D"/>                                                                        |
 | Pseudo Voigt | <img src="https://tex.cheminfo.org/?tex=y%20%5Ccdot%5Cleft%5Bx_g%5Ccdot%20exp%5Cleft%5B-%5Cfrac%7B1%7D%7B2%7D%5Cfrac%7B%5Cdelta%7D%7B%5Csigma%5E2%7D%5Cright%5D%20%2B%20x_l%5Ccdot%5Cfrac%7B%5Comega%5E2%7D%7B4%5Cdelta%20%2B%20%5Comega%5E2%7D%5Cright%5D"/> |
@@ -23,4 +22,4 @@
 
-| <img src="https://tex.cheminfo.org/?tex=%5Cdelta%20%3D%20%5Cleft(t%20-%20x%5Cright)%5E2%0A"/> | <img src="https://tex.cheminfo.org/?tex=%5Csigma%20%3D%20%5Cfrac%7Bwidth%7D%7B2%5Csqrt%7B2%20%5Ccdot%20ln(2)%7D%7D"/> | <img src="https://tex.cheminfo.org/?tex=%5Comega%20%3D%20width"/>|
-| --------------------------------------------------------------------------------------------- | :--------------------------------------------------------------------------------------------------------------------: | :--------------------------------------------------------------------------------------------------- |
+| <img src="https://tex.cheminfo.org/?tex=%5Cdelta%20%3D%20%5Cleft(t%20-%20x%5Cright)%5E2%0A"/> | <img src="https://tex.cheminfo.org/?tex=%5Csigma%20%3D%20%5Cfrac%7BFWHM%7D%7B2%5Csqrt%7B2%20%5Ccdot%20ln(2)%7D%7D"/> | <img src="https://tex.cheminfo.org/?tex=%5Comega%20%3D%20FWHM"/> |
+| --------------------------------------------------------------------------------------------- | :------------------------------------------------------------------------------------------------------------------: | :--------------------------------------------------------------- |
 
@@ -34,14 +33,18 @@ ## Installation
 ```js
-import { gaussian, lorentzian, pseudoVoigt} from 'ml-peak-shape-generator';
+import {
+  getGaussianData,
+  getLorentzianData,
+  getPseudoVoigtData,
+} from 'ml-peak-shape-generator';
 
 // It's possible to specify the windows size with factor option
-let data = gaussian.getData({factor: 3.5, sd: 500});
+let data = getGaussianData({ sd: 500 }, { factor: 3.5 });
 // or fix the number of points as Full Width at Half Maximum
-let data = gaussian.getData({factor: 3.5, fwhm: 500});
+let data = getGaussianData({ fwhm: 500 }, { factor: 3.5 });
 
 // It's possible to specify the windows size with factor option
-let data = loretzian.getData({factor: 5, fwhm: 500});
+let data = getLorentzianData({ fwhm: 500 }, { factor: 5 });
 
 // It's possible to specify the windows size with factor option
-let data = pseudoVoigt.getData({factor: 5, fwhm: 500});
+let data = getPseudoVoigtData({ fwhm: 500 }, { factor: 5 });
 ```
@@ -52,14 +55,13 @@
 ```js
-import { gaussian, gaussian2D } from 'ml-peak-shape-shape';
+import { Gaussian, gaussianFct, Gaussian2D } from 'ml-peak-shape-shape';
 
-const gaussianShape = new gaussian.Gaussian({ fwhm: 500, factor: 3.5, height: 1});
-// It is possible to set a new value for fwhm and height
+const gaussianShape = new Gaussian({ fwhm: 500 });
+// It is possible to set a new value for fwhm
 gaussianShape.fwhm = 300;
-gaussianShape.height = 2;
 
-// By default the height value ensure a surface/area equal 1.
-const gaussian2DShape = new gaussian2D.Gaussian2D({ fwhm: 500, factor: 3.5});
+// By default the height value ensure a volume equal 1.
+const gaussian2DShape = new Gaussian2D({ fwhm: 500 });
 
 // It is possible to set values for sd, fwhm and factor for each axes.
-const gaussian2DShape = new gaussian2D.Gaussian2D({ fwhm: { x: 300, y: 500 }, factor: 3.5});
+const gaussian2DShape = new Gaussian2D({ fwhm: { x: 300, y: 500 } });
 
@@ -71,8 +73,10 @@ // It is possible to set new value for fwhm by:
 
-//An instance of any shape has the same methods accessible for each 
+//An instance of any shape has the same methods accessible for each
 //shape e.g. fct or getData, but these use the internal parameters. e.g:
 
-const gaussianShape = new gaussian.Gaussian({ fwhm: 500 });
+const gaussianShape = new Gaussian({ fwhm: 500 });
 gaussianShape.fct(5);
-gaussian.fct(5, 500);
+gaussianFct(5, 500);
+// getData
+gaussianShape.getData({ factor: 3.5 });
 ```
@@ -85,4 +89,4 @@
 
-let shapeGenerator = getShape1D('lorentzian', {factor: 3.5, sd: 500});
-let shapeGenerator = getShape2D('gaussian2D', {factor: 3.5, sd: 500});
+let shapeGenerator = getShape1D({ kind: 'lorentzian', sd: 500 });
+let shapeGenerator = getShape2D({ kind: 'gaussian', sd: 500 });
 ```
@@ -93,4 +97,4 @@
 ```js
-import { gaussian } from 'ml-peak-shape-generator';
-const func = gaussian.fct(x - mean, fwhm);
+import { gaussianFct } from 'ml-peak-shape-generator';
+const func = gaussianFct(x - mean, fwhm);
 ```
@@ -111,2 +115,2 @@
 [download-image]: https://img.shields.io/npm/dm/ml-peak-shape-generator.svg
-[download-url]: https://www.npmjs.com/package/ml-peak-shape-generator
+[download-url]: https://www.npmjs.com/package/ml-peak-shape-generator

src/shapes/2d/Shape2D.ts

@@ -6,6 +6,6 @@ import type { Gaussian2DClassOptions } from './gaussian2D/Gaussian2D';
  */
-interface IGaussianShape2D extends Gaussian2DClassOptions {
+interface GaussianShape2D extends Gaussian2DClassOptions {
   kind: 'gaussian';
 }
 
-export type Shape2D = IGaussianShape2D;
+export type Shape2D = GaussianShape2D;

No alert changes

Improved metrics

Total package byte prevSize

127775

increased by0.12%

Number of lines in readme file

108

increased by4.85%

Dependency changes

• + Addedcheminfo-types@0.9.1(transitive)

• - Removedcheminfo-types@0.8.0(transitive)

• Updatedcheminfo-types@^0.9.1