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base repository: cdk/cdk
base: 131e16fe0655
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head repository: cdk/cdk
compare: 1b2bcaa07ea4
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  • 2 commits
  • 2 files changed
  • 1 contributor

Commits on Sep 1, 2014

  1. Added test to demonstrate bug where AtomPlacer3D().numberOfUnplacedHe… 

    …avyAtoms() counts explicit hydrogens as heavy atoms.

Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @johnmay
    Mark B Vine authored and johnmay committed Sep 1, 2014
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    4f77889 View commit details
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  2. Fixed bug where AtomPlacer3D().numberOfUnplacedHeavyAtoms() counts ex… 

    …plicit hydrogens as heavy atoms.

Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @johnmay
    Mark B Vine authored and johnmay committed Sep 1, 2014
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    1b2bcaa View commit details
    Browse the repository at this point in the history