Releases: cheminfo/openchemlib-js
Releases · cheminfo/openchemlib-js
v8.7.1
8.7.1 (2023-10-16)
Bug Fixes
v8.7.0
8.7.0 (2023-10-13)
Features
- improve exports for ESM and add shorthand export for the full.pretty build (688aedd)
v8.6.0
8.6.0 (2023-10-06)
Features
- when generating SVG check that coordinates are not all 0 (#174) (eded253)
v8.5.0
8.5.0 (2023-08-14)
Features
v8.4.0
8.4.0 (2023-08-11)
Features
- add data-atom-map-no props in the circle of the svg (#170) (ea29871)
Bug Fixes
- CanonizerUtil with NOSTEREO yielded to a wrong result (#165) (817ec97)
v8.3.0
8.3.0 (2023-04-05)
Features
v8.2.0
8.2.0 (2023-01-25)
Features
- add new CANONIZER static options (bd2eca1)
- expose all new static parameters of JSMolecule (81d7361)
Bug Fixes
- add getAtomicNoFromLabel second argument (8aa1268)
v8.1.0
8.1.0 (2023-01-04)
Features
- expose ReactionEncoder to encode / decode a reaction as a string (0d645c3)
- expose Reactor (5eb1c26)
- expose Transformer (e88d2b4)
- update OCL to v2022.10.2 (64b7d9a)
- update OCL to v2022.12.4 (#146) (8511629)
v8.0.1
8.0.1 (2022-08-15)
Bug Fixes
- inverted red/blue colors in editor (d8d25a3)
v8.0.0
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):
- 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.
Features
- update GWT to version 2.10 (9eed1ef)
- update OpenChemLib to v2022.8.1 (1ac3899)
- Added the following new depictor options (all boolean):
showSymmetryStereoHeterotopicity
,
showSymmetryAny
, noColorOnESRAndCIP
, noImplicitHydrogen
, and drawBondsInGray
.