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base repository: cdk/cdk
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  • 3 commits
  • 3 files changed
  • 1 contributor

Commits on Oct 30, 2012

  1. There is no Se.2 atom type in the CDK; the perception seems to match … 

    …Se atoms with two neighbors; I added two unit tests for the changed code, assuming one and two implicit hydrogens

Change-Id: Ia4494541ce859b952f6c994e392248e80130ced2
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw
    egonw committed Oct 30, 2012
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  2. Added the missing S.2minus atom type for selenide 

    Change-Id: Ia53e8e981b471f9cb77ed022cd46581092fe01a5
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw
    egonw committed Oct 30, 2012
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  3. s/Molecule/AtomContainer/ 

    Change-Id: I5650bc75ed19e16bc2670997a18598b81c7438b0
    @egonw
    egonw committed Oct 30, 2012
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