openchemlib - npm Package Compare versions

Comparing version 7.4.3 to 7.5.0

core.d.ts

 export * from './minimal';
 export {
+  CanonizerUtil,
   IParameterizedString,
@@ -10,3 +11,3 @@ MoleculeProperties,
   ConformerGenerator,
-  ForceFieldMMFF94
+  ForceFieldMMFF94,
 } from './types';

minimal.d.ts

@@ -14,3 +14,3 @@ export {
   Util,
-  version
+  version,
 } from './types';

package.json

 {
   "name": "openchemlib",
-  "version": "7.4.3",
+  "version": "7.5.0",
   "description": "Manipulate molecules",
@@ -20,2 +20,3 @@ "keywords": [
     "build-core": "npm run build:min -- -m core",
+    "build-debug": "npm run build:pretty -- -m full --verbose",
     "build-minimal": "npm run build:min -- -m minimal",
@@ -57,11 +58,11 @@ "build-full-pretty": "npm run build:pretty -- -m full",
     "benchmark": "^2.1.4",
-    "eslint": "^7.30.0",
-    "eslint-config-cheminfo": "^5.2.4",
+    "eslint": "^8.2.0",
+    "eslint-config-cheminfo": "^7.2.1",
     "fs-extra": "^10.0.0",
     "gwt-api-exporter": "^2.0.0",
-    "jest": "^27.0.6",
-    "prettier": "^2.3.2",
+    "jest": "^27.3.1",
+    "prettier": "^2.4.1",
     "rimraf": "^3.0.2",
-    "yargs": "^17.0.1"
+    "yargs": "^17.2.1"
   }
 }

README.md

@@ -8,3 +8,2 @@ # OpenChemLib JS
 
-
 JavaScript port of the [OpenChemLib](https://github.com/actelion/openchemlib) Java library.
@@ -33,28 +32,29 @@
 
-- [TypeDoc home page](https://cheminfo.github.io/openchemlib-js/globals.html)
+- [TypeDoc home page](https://cheminfo.github.io/openchemlib-js/index.html)
 
 ### Modules present in minimal, core and full builds
 
-- [Molecule](https://cheminfo.github.io/openchemlib-js/classes/molecule.html)
-- [Reaction](https://cheminfo.github.io/openchemlib-js/classes/reaction.html)
-- [RingCollection](https://cheminfo.github.io/openchemlib-js/classes/ringcollection.html)
-- [SDFileParser](https://cheminfo.github.io/openchemlib-js/classes/sdfileparser.html)
-- [SSSearcher](https://cheminfo.github.io/openchemlib-js/classes/sssearcher.html)
-- [SSSearcherWithIndex](https://cheminfo.github.io/openchemlib-js/classes/sssearcherwithindex.html)
-- [Util](https://cheminfo.github.io/openchemlib-js/modules/util.html)
+- [Molecule](https://cheminfo.github.io/openchemlib-js/classes/Molecule.html)
+- [Reaction](https://cheminfo.github.io/openchemlib-js/classes/Reaction.html)
+- [RingCollection](https://cheminfo.github.io/openchemlib-js/classes/RingCollection.html)
+- [SDFileParser](https://cheminfo.github.io/openchemlib-js/classes/SDFileParser.html)
+- [SSSearcher](https://cheminfo.github.io/openchemlib-js/classes/SSSearcher.html)
+- [SSSearcherWithIndex](https://cheminfo.github.io/openchemlib-js/classes/SSSearcherWithIndex.html)
+- [Util](https://cheminfo.github.io/openchemlib-js/modules/Util.html)
 
 ### Modules present only in core and full builds
 
-- [ConformerGenerator](https://cheminfo.github.io/openchemlib-js/classes/conformergenerator.html)
-- [DruglikenessPredictor](https://cheminfo.github.io/openchemlib-js/classes/druglikenesspredictor.html)
-- [DrugScoreCalculator](https://cheminfo.github.io/openchemlib-js/modules/drugscorecalculator.html)
-- [ForceFieldMMFF94](https://cheminfo.github.io/openchemlib-js/classes/forcefieldmmff94.html)
-- [MoleculeProperties](https://cheminfo.github.io/openchemlib-js/classes/moleculeproperties.html)
-- [ToxicityPredictor](https://cheminfo.github.io/openchemlib-js/classes/toxicitypredictor.html)
+- [CanonizerUtil](https://cheminfo.github.io/openchemlib-js/classes/CanonizerUtil.html)
+- [ConformerGenerator](https://cheminfo.github.io/openchemlib-js/classes/ConformerGenerator.html)
+- [DruglikenessPredictor](https://cheminfo.github.io/openchemlib-js/classes/DruglikenessPredictor.html)
+- [DrugScoreCalculator](https://cheminfo.github.io/openchemlib-js/modules/DrugScoreCalculator.html)
+- [ForceFieldMMFF94](https://cheminfo.github.io/openchemlib-js/classes/ForceFieldMMFF94.html)
+- [MoleculeProperties](https://cheminfo.github.io/openchemlib-js/classes/MoleculeProperties.html)
+- [ToxicityPredictor](https://cheminfo.github.io/openchemlib-js/classes/ToxicityPredictor.html)
 
 ### Modules present only in full build
 
-- [StructureEditor](https://cheminfo.github.io/openchemlib-js/classes/structureeditor.html)
-- [StructureView](https://cheminfo.github.io/openchemlib-js/modules/structureview.html)
-- [SVGRenderer](https://cheminfo.github.io/openchemlib-js/modules/svgrenderer.html)
+- [StructureEditor](https://cheminfo.github.io/openchemlib-js/classes/StructureEditor.html)
+- [StructureView](https://cheminfo.github.io/openchemlib-js/modules/StructureView.html)
+- [SVGRenderer](https://cheminfo.github.io/openchemlib-js/modules/SVGRenderer.html)
 
@@ -110,5 +110,5 @@ ## Development
 [npm-url]: https://www.npmjs.com/package/openchemlib
-[ci-image]: https://github.com/cheminfo/openchemlib-js/workflows/Node.js%20CI/badge.svg?branch=master
+[ci-image]: https://github.com/cheminfo/openchemlib-js/workflows/Node.js%20CI/badge.svg?branch=main
 [ci-url]: https://github.com/cheminfo/openchemlib-js/actions?query=workflow%3A%22Node.js+CI%22
 [download-image]: https://img.shields.io/npm/dm/openchemlib.svg
 [download-url]: https://www.npmjs.com/package/openchemlib

No alert changes

Improved metrics

Total package byte prevSize

10606342

increased by1.08%

Lines of code

25597

increased by0.75%

No dependency changes