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@cheminfo-bot cheminfo-bot released this 17 Apr 15:47
v9.0.0
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9.0.0 (2025-04-17)

⚠ BREAKING CHANGES

  • openchemlib is now exported as an ESM-only package. This doesn't prevent using it from CommonJS (require('openchemlib')), as long as you are using a supported and up to date Node.js version.
  • The library now exposes only one build. If you were using openchemlib/minimal, openchemlib/core, or openchemlib/full, switch back to openchemlib, which contains everything.
  • Removed the following classes: SVGRenderer, StructureEditor, and StructureView. They were using old and deprecated OpenChemLib java APIs.
    • Instead of the SVGRenderer, molecule.toSVG() can be used.
    • Instead of the StructureEditor, the replacement CanvasEditor can be used.
    • Instead of the StructureView, the replacement CanvasEditor with the readOnly option can be used.
  • Removed the bundled static resources. This allows to reduce the build size by half.
    • Static data can be loaded/registered with these new methods: OCL.Resources.register, OCL.Resources.registerFromUrl, or OCL.Resources.registerFromNodejs.
    • These classes require static resources to be registered before being instantiated: ConformerGenerator, ForceFieldMMFF94, DruglikenessPredictor, ToxicityPredictor.
  • Removed support for Node.js 18, which will be EoL at the end of April 2025.
  • Removed the getOCL method from all classes except Molecule.
  • Renamed some TypeScript types for consistency.

Features

  • rework library packaging and remove deprecated editor (#266) (88cc001)
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