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nmr-predictor

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nmr-predictor - npm Package Compare versions

Comparing version 0.0.1 to 0.0.2

10

package.json
{
"name": "nmr-predictor",
"version": "0.0.1",
"version": "0.0.2",
"description": "NMR chemical shift predictor",
"keywords": [],
"files": ["src"],
"files": [
"src"
],
"author": "andcastillo",

@@ -17,3 +19,3 @@ "repository": "cheminfo-js/nmr-predictor",

"test": "mocha --require should --reporter mocha-better-spec-reporter --recursive",
"build": "cheminfo build"
"build": "cheminfo build --no-uglify"
},

@@ -28,3 +30,3 @@ "devDependencies": {

"dependencies": {
"openchemlib-extended":"1.9.0",
"openchemlib-extended": "1.9.0",
"ml-matrix": "^1.1.2",

@@ -31,0 +33,0 @@ "new-array": "^1.0.0"

3

src/index.js

@@ -187,2 +187,3 @@ 'use strict'

//Average the entries for the equivalent protons
var idsKeys = Object.keys(ids);

@@ -205,4 +206,2 @@ for (i = 0;i < nspins; i++) {

//Average the entries for the equivalent protons
return result;

@@ -209,0 +208,0 @@ }

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