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openchemlib-utils

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openchemlib-utils - npm Package Compare versions

Comparing version 5.16.1 to 5.16.2

4

lib-esm/misc/getUnsaturation.js

@@ -18,4 +18,8 @@ const unsaturationsObject = {

export function getUnsaturation(mf) {
if (!mf)
return undefined;
// split a molecular formula into its elements
const elements = mf.match(/[A-Z][a-z]*\d*/g);
if (!elements || elements.length === 0)
return undefined;
let unsaturation = 0;

@@ -22,0 +26,0 @@ for (let i = 0; i < elements.length; i++) {

@@ -21,4 +21,8 @@ "use strict";

function getUnsaturation(mf) {
if (!mf)
return undefined;
// split a molecular formula into its elements
const elements = mf.match(/[A-Z][a-z]*\d*/g);
if (!elements || elements.length === 0)
return undefined;
let unsaturation = 0;

@@ -25,0 +29,0 @@ for (let i = 0; i < elements.length; i++) {

2

package.json
{
"name": "openchemlib-utils",
"version": "5.16.1",
"version": "5.16.2",
"description": "Various utilities that extends openchemlib-js like HOSE codes or diastereotopic IDs",

@@ -5,0 +5,0 @@ "main": "./lib/index.js",

@@ -19,4 +19,6 @@ const unsaturationsObject = {

export function getUnsaturation(mf) {
if (!mf) return undefined;
// split a molecular formula into its elements
const elements = mf.match(/[A-Z][a-z]*\d*/g);
if (!elements || elements.length === 0) return undefined;
let unsaturation = 0;

@@ -23,0 +25,0 @@ for (let i = 0; i < elements.length; i++) {

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