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.

Sign up for GitHub

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

Jump to bottom

Improved isotope support in converter and translator modules #1453

Merged
merged 3 commits into from
Aug 19, 2018
Merged

Improved isotope support in converter and translator modules #1453

merged 3 commits into from
Aug 19, 2018

Commits on Aug 17, 2018

  1. Add unit tests for round trip conversion to and from RDKit and OpenBabel 

    There were previously no tests for this conversion process.
    @mliu49
    mliu49 committed Aug 17, 2018
    Configuration menu
    Copy the full SHA
    378eb74 View commit details
    Browse the repository at this point in the history

  2. Add unit tests for reading and writing isotopic InChIs

    @mliu49
    mliu49 committed Aug 17, 2018
    Configuration menu
    Copy the full SHA
    3ecefe5 View commit details
    Browse the repository at this point in the history

  3. Add isotope support to conversion to and from RDKit and OpenBabel 

    This fixes identifier parsing for isotopic molecules
    @mliu49
    mliu49 committed Aug 17, 2018
    Configuration menu
    Copy the full SHA
    57a7738 View commit details
    Browse the repository at this point in the history