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

Commits on Nov 9, 2012

  1. Accept that bonds are sometimes unset (and except them to have a SING… 

    …LE_OR_DOUBLE flag then), and no longer use IBond.Order ordinals for comparison, but do it the proper way.

Change-Id: I87a20792ae6249bf1f06d57e11e3b44defef2311
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw
    egonw committed Nov 9, 2012
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  2. Added detection of C.sp2 atom types with SINGLE_OR_DOUBLE bonds 

    Change-Id: Ia25ce5449e70922ece571c0b02f97ab86ff806a7
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw
    egonw committed Nov 9, 2012
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  3. Added a unit test for C.sp2 perception with SINGLE_OR_DOUBLE bonds 

    Change-Id: Ic1de95e700e6d52adc3b89f97dc2caf78d07ddac
Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    @egonw
    egonw committed Nov 9, 2012
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    8956530 View commit details
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