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openchemlib-utils

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openchemlib-utils - npm Package Compare versions

Comparing version 6.0.1 to 6.1.0

2

lib-esm/util/getMF.js

@@ -43,2 +43,4 @@ import { atomSorter } from 'atom-sorter';

atom.implicitHydrogens = molecule.getImplicitHydrogens(i);
if (atom.label === '?')
atom.label = 'R';
atoms.push(atom);

@@ -45,0 +47,0 @@ allAtoms.push(atom);

@@ -46,2 +46,4 @@ "use strict";

atom.implicitHydrogens = molecule.getImplicitHydrogens(i);
if (atom.label === '?')
atom.label = 'R';
atoms.push(atom);

@@ -48,0 +50,0 @@ allAtoms.push(atom);

8

package.json
{
"name": "openchemlib-utils",
"version": "6.0.1",
"version": "6.1.0",
"description": "Various utilities that extends openchemlib-js like HOSE codes or diastereotopic IDs",

@@ -43,3 +43,3 @@ "main": "./lib/index.js",

"devDependencies": {
"@types/node": "^20.14.7",
"@types/node": "^20.14.9",
"@vitest/coverage-v8": "^1.6.0",

@@ -51,3 +51,3 @@ "cheminfo-build": "^1.2.0",

"fifo-logger": "^1.0.0",
"mf-parser": "^3.1.1",
"mf-parser": "^3.2.0",
"openchemlib": "^8.14.0",

@@ -62,3 +62,3 @@ "prettier": "^3.3.2",

"@lukeed/uuid": "^2.0.1",
"atom-sorter": "^2.0.1",
"atom-sorter": "^2.1.0",
"ensure-string": "^1.2.0",

@@ -65,0 +65,0 @@ "get-value": "^3.0.1",

@@ -47,2 +47,3 @@ import { atomSorter } from 'atom-sorter';

atom.implicitHydrogens = molecule.getImplicitHydrogens(i);
if (atom.label === '?') atom.label = 'R';
atoms.push(atom);

@@ -49,0 +50,0 @@ allAtoms.push(atom);

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