Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

feat: update OpenChemLib to 2022.8.1 #135

Merged
merged 2 commits into from
Aug 15, 2022
Merged

feat: update OpenChemLib to 2022.8.1 #135

merged 2 commits into from
Aug 15, 2022

Conversation

targos
Copy link
Member

@targos targos commented Aug 12, 2022

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

@targos targos linked an issue Aug 14, 2022 that may be closed by this pull request
@targos targos changed the title feat: update OpenChemLib to 2022.8.0 feat: update OpenChemLib to 2022.8.1 Aug 14, 2022
@targos targos force-pushed the update-ocl branch 2 times, most recently from da6f09d to 2028b66 Compare August 15, 2022 06:13
@targos targos merged commit 066ef6a into main Aug 15, 2022
@targos targos deleted the update-ocl branch August 15, 2022 06:29
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

SMARTS_MODE_IS_SMILES and 'ABC' Issue rendering an organometallic complex SMILES
1 participant