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

Comparing version 0.0.1 to 0.1.0

src/getShape.js

History.md

		@@ -0,1 +1,10 @@
		# [0.1.0](https://github.com/cheminfo/ml-peak-shape-generator/compare/v0.0.1...v0.1.0) (2020-03-02)


		### Features

		* add getShape ([10264f5](https://github.com/cheminfo/ml-peak-shape-generator/commit/10264f5387cfa50b0e2938ee2c1df2b96a8abeb5))



		## 0.0.1 (2020-02-29)
		@@ -2,0 +11,0 @@

lib/index.js

		@@ -100,4 +100,34 @@ 'use strict';

		/**
		* Calculate a normalized gaussian shape
		* @param {number} [kind = 1]
		* @param {object} [options = {}]
		* @param {number} [options.fwhm = 500] - number of points in Full Width at Half Maximum, Standard deviation will be computed as fwhm / 2 / sqrt(2 ln(2))
		* @param {number} [options.factor = 3] - factor of standard deviation to increase the window size, the vector size is 2 * factor * sd
		* @return {Float64Array} - array of Y points
		*/

		const GAUSSIAN = 1;
		const LORENTZIAN = 2;
		const PSEUDO_VOIGT = 3;

		function getShape(kind = 1, options = {}) {
		switch (kind) {
		case 1:
		return gaussian(options);
		case 2:
		return lorentzian(options);
		case 3:
		return pseudoVoigt(options);
		default:
		throw new Error(`Unknown shape kind: ${kind}`);
		}
		}

		exports.GAUSSIAN = GAUSSIAN;
		exports.LORENTZIAN = LORENTZIAN;
		exports.PSEUDO_VOIGT = PSEUDO_VOIGT;
		exports.gaussian = gaussian;
		exports.getShape = getShape;
		exports.lorentzian = lorentzian;
		exports.pseudoVoigt = pseudoVoigt;

package.json

README.md

		@@ -16,19 +16,27 @@ # ml-peak-shape-generator
		```js
		import { gaussian, lorentzian, pseudoVoigt } from 'ml-peak-shape-generator';
		import { gaussian, lorentzian, pseudoVoigt} from 'ml-peak-shape-generator';

		let gaussianVector;
		// It's possible to specify the windows size with factor option
		gaussianVector = gaussian({factor: 3.5, sd: 500});
		const gaussianVector = gaussian({factor: 3.5, sd: 500});
		// or fix the number of points as Full Width at Half Maximum
		gaussianVector = gaussian({factor: 3.5, fwhm: 500});
		const gaussianVector2 = gaussian({factor: 3.5, fwhm: 500});

		let lorentzianVector;
		// It's possible to specify the windows size with factor option
		lorenzianVector = loretzian({factor: 5, fwhm: 500});
		const lorenzianVector = loretzian({factor: 5, fwhm: 500});

		let pseudoVoigtVector;
		// It's possible to specify the windows size with factor option
		pseudoVoigtVector = pseudoVoigt({{factor: 5, fwhm: 500}});
		const pseudoVoigtVector = pseudoVoigt({{factor: 5, fwhm: 500}});
		```

		```js
		import { getShape, GAUSSIAN, LORENTZIAN, PSEUDO_VOIGT} from 'ml-peak-shape-generator';

		// If you want to dynamically select a shape you can use the `getShape` method.
		const shape = getShape(LORENTZIAN, {factor: 3.5, sd: 500});

		```




		## [API Documentation](https://cheminfo.github.io/ml-peak-shape-generator/)
		@@ -35,0 +43,0 @@

src/index.js

		@@ -1,5 +0,4 @@
		import { gaussian } from './gaussian';
		import { lorentzian } from './lorentzian';
		import { pseudoVoigt } from './pseudoVoigt';

		export { gaussian, lorentzian, pseudoVoigt };
		export * from './gaussian';
		export * from './lorentzian';
		export * from './pseudoVoigt';
		export * from './getShape';

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