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

• add getFinalRanks (#171) (9f9974d)

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

• implement SmilesParser to allow SMARTS features (#156) (2ca12ed)
• update OCL to v2023.1.2 (e134d00)
• update OCL to v2023.2.1 (#160) (9d2dd13)
• update OCL to v2023.4.0 (a886ff4)

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.

openchemlib v7.5.0

Features

• expose CanonizerUtil (#131) (ef7a873)

Bug Fixes

• README link to documentation (77dfc46)
• types: coordinates can be omitted from fromIDCode (636a73b)

openchemlib v7.4.3

Bug Fixes

• fromIDCode: pass coordinates option to the IDCodeParser (0b8775e)