nmr-simulation - npm Package Compare versions

Comparing version 0.0.3 to 0.0.4

package.json

		{
		"name": "nmr-simulation",
		"version": "0.0.3",
		"version": "0.0.4",
		"description": "Simulate NMR spectra from spin systems",
		@@ -5,0 +5,0 @@ "main": "src/index.js",

src/simulate1D.js

		@@ -155,3 +155,3 @@ 'use strict';
		} else {
		addPeak(result, valFreq / count, inte * weight, from, to, nbPoints, lorentzian);
		addPeak(result, valFreq / count, inte * weight, from, to, nbPoints, gaussian);
		valFreq = frequencies[i];
		@@ -162,3 +162,3 @@ inte = intensities[i];
		}
		addPeak(result, valFreq / count, inte * weight, from, to, nbPoints, lorentzian);
		addPeak(result, valFreq / count, inte * weight, from, to, nbPoints, gaussian);
		}
		@@ -170,5 +170,5 @@ }

		function addPeak(result, freq, height, from, to, nbPoints, lorentzian) {
		function addPeak(result, freq, height, from, to, nbPoints, gaussian) {
		const center = (nbPoints * (-freq-from) / (to - from)) \| 0;
		const lnPoints = lorentzian.length;
		const lnPoints = gaussian.length;
		var index = 0;
		@@ -179,3 +179,3 @@ var indexLorentz = 0;
		if (i >= 0 && i < nbPoints) {
		result[index] = result[index] + lorentzian[indexLorentz] * height;
		result[index] = result[index] + gaussian[indexLorentz] * height;
		}
		@@ -182,0 +182,0 @@ indexLorentz++;

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