Skip to content
Permalink

Comparing changes

Choose two branches to see what’s changed or to start a new pull request. If you need to, you can also or learn more about diff comparisons.

Open a pull request

Create a new pull request by comparing changes across two branches. If you need to, you can also . Learn more about diff comparisons here.
base repository: cdk/cdk
base: 105a37987333
Choose a base ref
...
head repository: cdk/cdk
compare: 8bf37f28bfc4
Choose a head ref
  • 4 commits
  • 3 files changed
  • 1 contributor

Commits on Sep 23, 2013

  1. Apply valence model after fixing hydrogen isotopes. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 23, 2013
    Copy the full SHA
    fd1a5a3 View commit details
    Browse the repository at this point in the history

  2. Use isotope factory to get the deuterium and tritium isotope values. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 23, 2013
    Copy the full SHA
    6149174 View commit details
    Browse the repository at this point in the history

  3. Correcting SMILES errors. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 23, 2013
    Copy the full SHA
    b3d3058 View commit details
    Browse the repository at this point in the history

  4. With the SMILES updated only 5 match. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 23, 2013
    Copy the full SHA
    8bf37f2 View commit details
    Browse the repository at this point in the history