ml-gsd - npm Package Compare versions

Comparing version 12.1.0 to 12.1.1-pre.1663815504

lib-esm/gsd.d.ts

 import type { DataXY } from 'cheminfo-types';
-import { Shape1D } from 'ml-peak-shape-generator';
 import { SGGOptions } from 'ml-savitzky-golay-generalized';
 import { GSDPeak } from './GSDPeak';
 import { MakeMandatory } from './utils/MakeMandatory';
-import { MakeOptional } from './utils/MakeOptional';
 export interface GSDOptions {
@@ -40,10 +38,4 @@ /**
     realTopDetection?: boolean;
-    /**
-     * Shape used to add FWHM property in the peaks
-     * @default {kind:'gaussian'}
-     */
-    shape?: Shape1D;
 }
 export declare type GSDPeakID = MakeMandatory<GSDPeak, 'id'>;
-export declare type GSDPeakIDOptionalShape = MakeOptional<GSDPeak, 'shape'>;
 /**
@@ -50,0 +42,0 @@ * Global spectra deconvolution

lib-esm/gsd.js

@@ -5,3 +5,2 @@ import { v4 as generateID } from '@lukeed/uuid';
 import { optimizeTop } from './utils/optimizeTop';
-import { setShape } from './utils/setShape';
 /**
@@ -18,3 +17,3 @@ * Global spectra deconvolution
         polynomial: 3,
-    }, shape, noiseLevel, smoothY = false, maxCriteria = true, minMaxRatio = 0.00025, realTopDetection = false, } = options;
+    }, noiseLevel, smoothY = false, maxCriteria = true, minMaxRatio = 0.00025, realTopDetection = false, } = options;
     let { x, y } = data;
@@ -193,4 +192,4 @@ if (!xIsMonotoneIncreasing(x)) {
     });
-    return setShape(peaks, { shape });
+    return peaks;
 }
 //# sourceMappingURL=gsd.js.map

lib-esm/GSDPeak.d.ts

@@ -1,2 +0,1 @@
-import { Shape1D } from 'ml-peak-shape-generator';
 export interface GSDPeak {
@@ -19,3 +18,2 @@ id?: string;
     ddY: number;
-    shape: Shape1D;
     inflectionPoints: {
@@ -22,0 +20,0 @@ from: {

lib-esm/post/broadenPeaks.d.ts

 import { Shape1D } from 'ml-peak-shape-generator';
 import { GSDBroadenPeak } from '../GSDBroadenPeak';
 import { GSDPeak } from '../GSDPeak';
-import { MakeOptional } from '../utils/MakeOptional';
-declare type GSDPeakOptionalShape = MakeOptional<GSDPeak, 'shape'>;
+declare type GSDPeakOptionalShape = GSDPeak & {
+    shape?: Shape1D;
+};
 declare type GSDBroadenPeakWithID = GSDBroadenPeak & {
@@ -7,0 +8,0 @@ id: string;

lib-esm/post/joinBroadPeaks.d.ts

 import type { Shape1D } from 'ml-peak-shape-generator';
 import { OptimizationOptions } from 'ml-spectra-fitting';
 import { GSDPeak } from '../GSDPeak';
-import { MakeOptional } from '../utils/MakeOptional';
 import { GSDPeakOptimizedID } from './optimizePeaksWithLogs';
@@ -29,4 +28,6 @@ export interface JoinBroadPeaksOptions {
  */
-export declare type GSDPeakOptionalShape = MakeOptional<GSDPeak, 'shape'>;
+export declare type GSDPeakOptionalShape = GSDPeak & {
+    shape?: Shape1D;
+};
 export declare function joinBroadPeaks<T extends GSDPeakOptionalShape>(peakList: T[], options?: JoinBroadPeaksOptions): GSDPeakOptimizedID[];
 //# sourceMappingURL=joinBroadPeaks.d.ts.map

lib/gsd.d.ts

 import type { DataXY } from 'cheminfo-types';
-import { Shape1D } from 'ml-peak-shape-generator';
 import { SGGOptions } from 'ml-savitzky-golay-generalized';
 import { GSDPeak } from './GSDPeak';
 import { MakeMandatory } from './utils/MakeMandatory';
-import { MakeOptional } from './utils/MakeOptional';
 export interface GSDOptions {
@@ -40,10 +38,4 @@ /**
     realTopDetection?: boolean;
-    /**
-     * Shape used to add FWHM property in the peaks
-     * @default {kind:'gaussian'}
-     */
-    shape?: Shape1D;
 }
 export declare type GSDPeakID = MakeMandatory<GSDPeak, 'id'>;
-export declare type GSDPeakIDOptionalShape = MakeOptional<GSDPeak, 'shape'>;
 /**
@@ -50,0 +42,0 @@ * Global spectra deconvolution

lib/gsd.js

@@ -8,3 +8,2 @@ "use strict";
 const optimizeTop_1 = require("./utils/optimizeTop");
-const setShape_1 = require("./utils/setShape");
 /**
@@ -21,3 +20,3 @@ * Global spectra deconvolution
         polynomial: 3,
-    }, shape, noiseLevel, smoothY = false, maxCriteria = true, minMaxRatio = 0.00025, realTopDetection = false, } = options;
+    }, noiseLevel, smoothY = false, maxCriteria = true, minMaxRatio = 0.00025, realTopDetection = false, } = options;
     let { x, y } = data;
@@ -196,5 +195,5 @@ if (!(0, ml_spectra_processing_1.xIsMonotoneIncreasing)(x)) {
     });
-    return (0, setShape_1.setShape)(peaks, { shape });
+    return peaks;
 }
 exports.gsd = gsd;
 //# sourceMappingURL=gsd.js.map

lib/GSDPeak.d.ts

@@ -1,2 +0,1 @@
-import { Shape1D } from 'ml-peak-shape-generator';
 export interface GSDPeak {
@@ -19,3 +18,2 @@ id?: string;
     ddY: number;
-    shape: Shape1D;
     inflectionPoints: {
@@ -22,0 +20,0 @@ from: {

lib/post/broadenPeaks.d.ts

 import { Shape1D } from 'ml-peak-shape-generator';
 import { GSDBroadenPeak } from '../GSDBroadenPeak';
 import { GSDPeak } from '../GSDPeak';
-import { MakeOptional } from '../utils/MakeOptional';
-declare type GSDPeakOptionalShape = MakeOptional<GSDPeak, 'shape'>;
+declare type GSDPeakOptionalShape = GSDPeak & {
+    shape?: Shape1D;
+};
 declare type GSDBroadenPeakWithID = GSDBroadenPeak & {
@@ -7,0 +8,0 @@ id: string;

lib/post/joinBroadPeaks.d.ts

 import type { Shape1D } from 'ml-peak-shape-generator';
 import { OptimizationOptions } from 'ml-spectra-fitting';
 import { GSDPeak } from '../GSDPeak';
-import { MakeOptional } from '../utils/MakeOptional';
 import { GSDPeakOptimizedID } from './optimizePeaksWithLogs';
@@ -29,4 +28,6 @@ export interface JoinBroadPeaksOptions {
  */
-export declare type GSDPeakOptionalShape = MakeOptional<GSDPeak, 'shape'>;
+export declare type GSDPeakOptionalShape = GSDPeak & {
+    shape?: Shape1D;
+};
 export declare function joinBroadPeaks<T extends GSDPeakOptionalShape>(peakList: T[], options?: JoinBroadPeaksOptions): GSDPeakOptimizedID[];
 //# sourceMappingURL=joinBroadPeaks.d.ts.map

package.json

 {
   "name": "ml-gsd",
-  "version": "12.1.0",
+  "version": "12.1.1-pre.1663815504",
   "description": "Global Spectra Deconvolution",
@@ -13,5 +13,2 @@ "main": "./lib/index.js",
   ],
-  "env": {
-    "jest": true
-  },
   "scripts": {
@@ -47,3 +44,3 @@ "build": "npm run tsc-esm && cheminfo-build --entry lib-esm/index.js --root GSD",
     "Miguel Asencio <[e-mail]> (https://github.com/maasencioh)",
-    "Alejandro Bolaños <[e-mail]> (https://github.com/jobo322)"
+    "J. Alejandro Bolaños A. <[e-mail]> (https://github.com/jobo322)"
   ],
@@ -50,0 +47,0 @@ "license": "MIT",

src/__tests__/gaussian-overlapping.test.ts

@@ -52,3 +52,2 @@ import type { DataXY } from 'cheminfo-types';
         width: 0.1,
-        shape: { kind: 'gaussian', fwhm: 0.11774128880591818 },
       },
@@ -59,3 +58,2 @@ {
         width: 0.1,
-        shape: { kind: 'gaussian', fwhm: 0.11774128880591818 },
       },
@@ -62,0 +60,0 @@ ]);

src/__tests__/gaussian-smooth.test.ts

@@ -42,6 +42,2 @@ import type { DataXY } from 'cheminfo-types';
         index: 25,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -59,6 +55,2 @@ from: { x: -0.54, index: 23 },
         index: 75,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -65,0 +57,0 @@ from: { x: 0.46, index: 73 },

src/__tests__/gaussian.test.ts

@@ -41,6 +41,2 @@ import type { DataXY } from 'cheminfo-types';
         index: 25,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -57,6 +53,2 @@ from: { index: 23, x: -0.54 },
         index: 75,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -81,6 +73,2 @@ from: { index: 73, x: 0.46 },
         index: 25,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -97,6 +85,2 @@ from: { index: 23, x: -0.54 },
         index: 75,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -124,6 +108,2 @@ from: { index: 73, x: 0.46 },
         index: 25,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -140,6 +120,2 @@ from: { index: 23, x: -0.54 },
         index: 75,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -168,6 +144,2 @@ from: { index: 73, x: 0.46 },
         index: 25,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -184,6 +156,2 @@ from: { index: 23, x: -0.54 },
         index: 75,
-        shape: {
-          fwhm: 0.09419280180123805,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -190,0 +158,0 @@ from: { index: 73, x: 0.46 },

src/__tests__/power.test.ts

@@ -60,6 +60,2 @@ import type { DataXY } from 'cheminfo-types';
         ddY: -33832.03463203485,
-        shape: {
-          fwhm: 0.35322300675464324,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -88,6 +84,2 @@ from: { x: 4.85, index: 97 },
         ddY: 800,
-        shape: {
-          fwhm: 0.05887050112577352,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -105,6 +97,2 @@ from: { x: 4.4, index: 88 },
         ddY: -44914.28571428623,
-        shape: {
-          fwhm: 0.2354820045030941,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -122,6 +110,2 @@ from: { x: 4.9, index: 98 },
         ddY: 800,
-        shape: {
-          fwhm: 0.05887050112577352,
-          kind: 'gaussian',
-        },
         inflectionPoints: {
@@ -128,0 +112,0 @@ from: { x: 5.55, index: 111 },

src/__tests__/ubiquitin.test.ts

@@ -33,6 +33,2 @@ import { readFileSync } from 'fs';
       index: 11,
-      shape: {
-        fwhm: 0.0028493322544883375,
-        kind: 'gaussian',
-      },
       inflectionPoints: {
@@ -39,0 +35,0 @@ from: { x: 200.054133, index: 9 },

src/gsd.ts

 import { v4 as generateID } from '@lukeed/uuid';
 import type { DataXY } from 'cheminfo-types';
-import { Shape1D } from 'ml-peak-shape-generator';
 import { sgg, SGGOptions } from 'ml-savitzky-golay-generalized';
@@ -15,5 +14,3 @@ import {
 import { MakeMandatory } from './utils/MakeMandatory';
-import { MakeOptional } from './utils/MakeOptional';
 import { optimizeTop } from './utils/optimizeTop';
-import { setShape } from './utils/setShape';
 
@@ -53,10 +50,5 @@ export interface GSDOptions {
   realTopDetection?: boolean;
-  /**
-   * Shape used to add FWHM property in the peaks
-   * @default {kind:'gaussian'}
-   */
-  shape?: Shape1D;
 }
 export type GSDPeakID = MakeMandatory<GSDPeak, 'id'>;
-export type GSDPeakIDOptionalShape = MakeOptional<GSDPeak, 'shape'>;
+
 /**
@@ -76,3 +68,2 @@ * Global spectra deconvolution
     },
-    shape,
     noiseLevel,
@@ -227,3 +218,3 @@ smoothY = false,
 
-  const peaks: GSDPeakIDOptionalShape[] = [];
+  const peaks: GSDPeakID[] = [];
   for (const minddYIndex of minddY) {
@@ -286,3 +277,3 @@ let deltaX = x[minddYIndex];
 
-  return setShape(peaks, { shape }) as GSDPeakID[];
+  return peaks;
 }

src/GSDPeak.ts

@@ -1,3 +0,1 @@
-import { Shape1D } from 'ml-peak-shape-generator';
-
 export interface GSDPeak {
@@ -21,4 +19,2 @@ id?: string;
 
-  shape: Shape1D;
-
   inflectionPoints: {
@@ -25,0 +21,0 @@ from: { x: number; index: number };

src/post/broadenPeaks.ts

@@ -5,5 +5,4 @@ import { getShape1D, Shape1D } from 'ml-peak-shape-generator';
 import { GSDPeak } from '../GSDPeak';
-import { MakeOptional } from '../utils/MakeOptional';
 
-type GSDPeakOptionalShape = MakeOptional<GSDPeak, 'shape'>;
+type GSDPeakOptionalShape = GSDPeak & { shape?: Shape1D };
 
@@ -10,0 +9,0 @@ type GSDBroadenPeakWithID = GSDBroadenPeak & { id: string };

src/post/joinBroadPeaks.ts

@@ -7,3 +7,2 @@ import { v4 as generateID } from '@lukeed/uuid';
 import { GSDPeakOptimized } from '../GSDPeakOptimized';
-import { MakeOptional } from '../utils/MakeOptional';
 import { addMissingIDs } from '../utils/addMissingIDs';
@@ -40,3 +39,3 @@ import { addMissingShape } from '../utils/addMissingShape';
 
-export type GSDPeakOptionalShape = MakeOptional<GSDPeak, 'shape'>;
+export type GSDPeakOptionalShape = GSDPeak & { shape?: Shape1D };
 
@@ -43,0 +42,0 @@ export function joinBroadPeaks<T extends GSDPeakOptionalShape>(

src/utils/setShape.ts

@@ -25,3 +25,2 @@ import { getShape1D, Shape1D } from 'ml-peak-shape-generator';
   let shapeInstance = getShape1D(shape);
-
   return output.map((peak) => ({
@@ -28,0 +27,0 @@ ...peak,

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Quality

Package is not semver >=1. This means it is not stable and does not support ^ ranges.

Found 1 instance in 1 package

Worsened metrics

Total package byte prevSize

2647453

decreased by-0.15%

Lines of code

10634

decreased by-0.88%

Number of low quality alerts

1

increased byInfinity%

No dependency changes