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nmr-simulation

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nmr-simulation - npm Package Compare versions

Comparing version 1.0.3 to 1.0.4

18

package.json
{
"name": "nmr-simulation",
"version": "1.0.3",
"version": "1.0.4",
"description": "Simulate NMR spectra from spin systems",
"main": "src/index.js",
"scripts": {
"eslint": "eslint src test --cache",
"eslint-fix": "npm run eslint -- --fix",
"test": "npm run test-mocha && npm run eslint",
"test-mocha": "mocha --require should --reporter mocha-better-spec-reporter --recursive",
"build": "cheminfo build"
},
"files": [

@@ -44,11 +37,4 @@ "src"

"devDependencies": {
"cheminfo-tools": "^1.11.0",
"eslint": "^3.9.1",
"eslint-config-cheminfo": "^1.5.2",
"eslint-plugin-no-only-tests": "^1.1.0",
"mocha": "^3.1.2",
"mocha-better-spec-reporter": "^3.0.1",
"nmr-predictor": "^1.0.6",
"should": "^11.1.1"
"nmr-predictor": "^1.0.7"
}
}

5

src/simulate2D.js

@@ -5,3 +5,6 @@ 'use strict';

let defOptions = {'H': {frequency: 400, lineWidth: 10}, 'C': {frequency: 100, lineWidth: 10}};
let defOptions = {
H: {frequency: 400, lineWidth: 10},
C: {frequency: 100, lineWidth: 10}
};

@@ -8,0 +11,0 @@ function simule2DNmrSpectrum(table, options) {

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