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

Comparing version 4.1.2 to 4.1.3

CHANGELOG.md

 # Changelog
 
+### [4.1.3](https://www.github.com/mljs/peak-shape-generator/compare/v4.1.2...v4.1.3) (2024-09-24)
+
+
+### Bug Fixes
+
+* add generalizedLorentzian shape ([#75](https://www.github.com/mljs/peak-shape-generator/issues/75)) ([9916cd2](https://www.github.com/mljs/peak-shape-generator/commit/9916cd2abc066ddc1013e6aa5aec9000d2daf788))
+
 ### [4.1.2](https://www.github.com/mljs/peak-shape-generator/compare/v4.1.1...v4.1.2) (2022-08-06)
@@ -4,0 +11,0 @@

lib-esm/index.js

 export * from './shapes/1d/gaussian/Gaussian';
 export * from './shapes/1d/lorentzian/Lorentzian';
 export * from './shapes/1d/pseudoVoigt/PseudoVoigt';
+export * from './shapes/1d/generalizedLorentzian/GeneralizedLorentzian';
 export * from './shapes/2d/gaussian2D/Gaussian2D';
@@ -5,0 +6,0 @@ export * from './shapes/1d/getShape1D';

lib-esm/shapes/1d/getShape1D.js

 import { Gaussian } from './gaussian/Gaussian';
+import { GeneralizedLorentzian } from './generalizedLorentzian/GeneralizedLorentzian';
 import { Lorentzian } from './lorentzian/Lorentzian';
@@ -16,2 +17,4 @@ import { PseudoVoigt } from './pseudoVoigt/PseudoVoigt';
             return new PseudoVoigt(shape);
+        case 'generalizedLorentzian':
+            return new GeneralizedLorentzian(shape);
         default: {
@@ -18,0 +21,0 @@ throw Error(`Unknown distribution ${kind}`);

lib/index.d.ts

 export * from './shapes/1d/gaussian/Gaussian';
 export * from './shapes/1d/lorentzian/Lorentzian';
 export * from './shapes/1d/pseudoVoigt/PseudoVoigt';
+export * from './shapes/1d/generalizedLorentzian/GeneralizedLorentzian';
 export * from './shapes/2d/gaussian2D/Gaussian2D';
 export * from './shapes/1d/getShape1D';
 export * from './shapes/2d/getShape2D';
-export type { Shape1D, PseudoVoigtShape1D, GaussianShape1D, LorentzianShape1D, } from './shapes/1d/Shape1D';
+export type { Shape1D, PseudoVoigtShape1D, GaussianShape1D, LorentzianShape1D, GeneralizedLorentzianShape1D, } from './shapes/1d/Shape1D';
 export type { Shape2D, GaussianShape2D } from './shapes/2d/Shape2D';
@@ -9,0 +10,0 @@ export type { Shape1DClass } from './shapes/1d/Shape1DClass';

lib/index.js

@@ -20,2 +20,3 @@ "use strict";
 __exportStar(require("./shapes/1d/pseudoVoigt/PseudoVoigt"), exports);
+__exportStar(require("./shapes/1d/generalizedLorentzian/GeneralizedLorentzian"), exports);
 __exportStar(require("./shapes/2d/gaussian2D/Gaussian2D"), exports);
@@ -22,0 +23,0 @@ __exportStar(require("./shapes/1d/getShape1D"), exports);

lib/shapes/1d/getShape1D.js

@@ -5,2 +5,3 @@ "use strict";
 const Gaussian_1 = require("./gaussian/Gaussian");
+const GeneralizedLorentzian_1 = require("./generalizedLorentzian/GeneralizedLorentzian");
 const Lorentzian_1 = require("./lorentzian/Lorentzian");
@@ -20,2 +21,4 @@ const PseudoVoigt_1 = require("./pseudoVoigt/PseudoVoigt");
             return new PseudoVoigt_1.PseudoVoigt(shape);
+        case 'generalizedLorentzian':
+            return new GeneralizedLorentzian_1.GeneralizedLorentzian(shape);
         default: {
@@ -22,0 +25,0 @@ throw Error(`Unknown distribution ${kind}`);

lib/shapes/1d/Shape1D.d.ts

 import type { GaussianClassOptions } from './gaussian/Gaussian';
+import { GeneralizedLorentzianClassOptions } from './generalizedLorentzian/GeneralizedLorentzian';
 import type { LorentzianClassOptions } from './lorentzian/Lorentzian';
@@ -16,2 +17,5 @@ import type { PseudoVoigtClassOptions } from './pseudoVoigt/PseudoVoigt';
 }
-export declare type Shape1D = GaussianShape1D | LorentzianShape1D | PseudoVoigtShape1D;
+export interface GeneralizedLorentzianShape1D extends GeneralizedLorentzianClassOptions {
+    kind: 'generalizedLorentzian';
+}
+export type Shape1D = GaussianShape1D | LorentzianShape1D | PseudoVoigtShape1D | GeneralizedLorentzianShape1D;

lib/shapes/1d/Shape1DClass.d.ts

 import { DoubleArray } from 'cheminfo-types';
 import { GetData1DOptions } from './GetData1DOptions';
-export declare type Parameter = 'fwhm' | 'mu';
+export type Parameter = 'fwhm' | 'mu' | 'gamma';
 export interface Shape1DClass {
@@ -5,0 +5,0 @@ fwhm: number;

lib/shapes/1d/Shape1DInstance.d.ts

 import { Gaussian } from './gaussian/Gaussian';
+import { GeneralizedLorentzian } from './generalizedLorentzian/GeneralizedLorentzian';
 import { Lorentzian } from './lorentzian/Lorentzian';
 import { PseudoVoigt } from './pseudoVoigt/PseudoVoigt';
-export declare type Shape1DInstance = Gaussian | Lorentzian | PseudoVoigt;
+export type Shape1DInstance = Gaussian | Lorentzian | PseudoVoigt | GeneralizedLorentzian;

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

@@ -8,2 +8,2 @@ import type { Gaussian2DClassOptions } from './gaussian2D/Gaussian2D';
 }
-export declare type Shape2D = GaussianShape2D;
+export type Shape2D = GaussianShape2D;

lib/shapes/2d/Shape2DInstance.d.ts

 import { Gaussian2D } from './gaussian2D/Gaussian2D';
-export declare type Shape2DInstance = Gaussian2D;
+export type Shape2DInstance = Gaussian2D;

package.json

 {
   "name": "ml-peak-shape-generator",
-  "version": "4.1.2",
+  "version": "4.1.3",
   "description": "Generate various peak shapes",
@@ -5,0 +5,0 @@ "main": "./lib/index.js",

src/index.ts

 export * from './shapes/1d/gaussian/Gaussian';
 export * from './shapes/1d/lorentzian/Lorentzian';
 export * from './shapes/1d/pseudoVoigt/PseudoVoigt';
+export * from './shapes/1d/generalizedLorentzian/GeneralizedLorentzian';
 export * from './shapes/2d/gaussian2D/Gaussian2D';
@@ -14,2 +15,3 @@
   LorentzianShape1D,
+  GeneralizedLorentzianShape1D,
 } from './shapes/1d/Shape1D';
@@ -16,0 +18,0 @@ export type { Shape2D, GaussianShape2D } from './shapes/2d/Shape2D';

src/shapes/1d/getShape1D.ts

 import type { Shape1D } from './Shape1D';
 import { Shape1DInstance } from './Shape1DInstance';
 import { Gaussian } from './gaussian/Gaussian';
+import { GeneralizedLorentzian } from './generalizedLorentzian/GeneralizedLorentzian';
 import { Lorentzian } from './lorentzian/Lorentzian';
@@ -20,2 +21,4 @@ import { PseudoVoigt } from './pseudoVoigt/PseudoVoigt';
       return new PseudoVoigt(shape);
+    case 'generalizedLorentzian':
+      return new GeneralizedLorentzian(shape);
     default: {
@@ -22,0 +25,0 @@ throw Error(`Unknown distribution ${kind as string}`);

src/shapes/1d/Shape1D.ts

 import type { GaussianClassOptions } from './gaussian/Gaussian';
+import { GeneralizedLorentzianClassOptions } from './generalizedLorentzian/GeneralizedLorentzian';
 import type { LorentzianClassOptions } from './lorentzian/Lorentzian';
@@ -20,2 +21,11 @@ import type { PseudoVoigtClassOptions } from './pseudoVoigt/PseudoVoigt';
 
-export type Shape1D = GaussianShape1D | LorentzianShape1D | PseudoVoigtShape1D;
+export interface GeneralizedLorentzianShape1D
+  extends GeneralizedLorentzianClassOptions {
+  kind: 'generalizedLorentzian';
+}
+
+export type Shape1D =
+  | GaussianShape1D
+  | LorentzianShape1D
+  | PseudoVoigtShape1D
+  | GeneralizedLorentzianShape1D;

src/shapes/1d/Shape1DClass.ts

@@ -5,3 +5,3 @@ import { DoubleArray } from 'cheminfo-types';
 
-export type Parameter = 'fwhm' | 'mu';
+export type Parameter = 'fwhm' | 'mu' | 'gamma';
 
@@ -8,0 +8,0 @@ export interface Shape1DClass {

src/shapes/1d/Shape1DInstance.ts

 import { Gaussian } from './gaussian/Gaussian';
+import { GeneralizedLorentzian } from './generalizedLorentzian/GeneralizedLorentzian';
 import { Lorentzian } from './lorentzian/Lorentzian';
 import { PseudoVoigt } from './pseudoVoigt/PseudoVoigt';
 
-export type Shape1DInstance = Gaussian | Lorentzian | PseudoVoigt;
+export type Shape1DInstance =
+  | Gaussian
+  | Lorentzian
+  | PseudoVoigt
+  | GeneralizedLorentzian;

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Improved metrics

Total package byte prevSize

155422

increased by16.8%

Number of package files

125

increased by5.04%

Lines of code

2580

increased by19.11%

No dependency changes