cheminfo / openchemlib-js

JavaScript port of OpenChemLib
https://cheminfo.github.io/openchemlib-js/index.html
BSD 3-Clause "New" or "Revised" License
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feat: update OpenChemLib to 2022.8.1 #135

Closed targos closed 2 years ago

targos commented 2 years ago

TODO:

For the changelog:

BREAKING CHANGES:

Remove support for Node.js 12.
JSMolecule:
setAtomQueryFeature / getAtomQueryFeatures -> returns a long!
addRing, addRingToAtom, addRingToBond -> one more param (bondLength)
replace options showSymmetryDiastereotopic and showSymmetryEnantiotopic with showSymmetryStereoHeterotopicity in depiction
calculated 3d coordinates may change
generated conformers may be different
editor: no longer possible to change ring size in query features for now

NEW FEATURES:

added options drawBondsInGray, showSymmetryAny, noColorOnESRAndCIP and noImplicitHydrogen in depiction