This release updates OpenChemLib to the latest version 2022.8.1. There were a lot
of changes since the last update and some of them are breaking. Here's a list of
the changes we were able to identify (but there may be more):
The setAtomQueryFeature and getAtomQueryFeatures methods were removed from
the Molecule class because they now return a long in Java.
The addRing, addRingToAtom and addRingToBond methods of the Molecule
class now take one additional parameter, called bondLength.
The showSymmetryDiastereotopic and showSymmetryEnantiotopic depictor options
were removed.
The value of computed 3D coordinates may change.
Generated conformers may be different (in quantity and their coordinates).
It is no longer possible to change ring size in the atom query features dialog
of the editor.
We also removed support for Node.js 12. It's still possible that the library works
on this version, but it is no longer tested in CI.
Added the following new depictor options (all boolean): showSymmetryStereoHeterotopicity,
showSymmetryAny, noColorOnESRAndCIP, noImplicitHydrogen, and drawBondsInGray.
:robot: I have created a release beep boop
8.0.0 (2022-08-15)
⚠ BREAKING CHANGES
This release updates OpenChemLib to the latest version 2022.8.1. There were a lot of changes since the last update and some of them are breaking. Here's a list of the changes we were able to identify (but there may be more):
setAtomQueryFeature
andgetAtomQueryFeatures
methods were removed from theMolecule
class because they now return along
in Java.addRing
,addRingToAtom
andaddRingToBond
methods of theMolecule
class now take one additional parameter, calledbondLength
.showSymmetryDiastereotopic
andshowSymmetryEnantiotopic
depictor options were removed.We also removed support for Node.js 12. It's still possible that the library works on this version, but it is no longer tested in CI.
Features
showSymmetryStereoHeterotopicity
,showSymmetryAny
,noColorOnESRAndCIP
,noImplicitHydrogen
, anddrawBondsInGray
.This PR was generated with Release Please. See documentation.