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base repository: cdk/cdk
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head repository: cdk/cdk
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  • 7 commits
  • 45 files changed
  • 2 contributors

Commits on Jun 3, 2013

  1. Added Magda Oprian to AUTHORS

    Change-Id: Ibac4f2ceadbc17ced0ccdb65cf86e23936ef6b38
    egonw authored and johnmay committed Jun 3, 2013
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  2. Removes old @cdk.depends tag from javadoc.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    
    Conflicts:
    	src/test/org/openscience/cdk/modulesuites/MnonotifyTests.java
    johnmay committed Jun 3, 2013
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  3. Removing old @cdk.builddepends tag.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay committed Jun 3, 2013
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  4. Added a unit test for the double brackets SMILES bug

    Change-Id: Ib956b78ba268c2ab8f452e70e4c0b619a5e774aa
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    egonw authored and johnmay committed Jun 3, 2013
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  5. Determine earlier if the nitrogen needs an explicit implicit hydrogen…

    … (you know, like [nH], solving the double bracket problem
    
    Change-Id: I32ab2374e403edd7c3cd5dc6656d6c94a1de0e3a
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    egonw authored and johnmay committed Jun 3, 2013
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  6. Unit test that checks that implicit hydrogens on ring nitrogens are o…

    …nly added when they are negatively charged (bug #1300)
    
    Change-Id: I2fc8c80eed751653a6d3e96b02ef0afbd60d81a5
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    egonw authored and johnmay committed Jun 3, 2013
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  7. Fixed generation of SMILES with non-charged nitrogen rings with an im…

    …plicit hydrogen (bug #1300)
    
    Change-Id: I92720e88b167116c01b2d049ff8af55c833f1d21
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    egonw authored and johnmay committed Jun 3, 2013
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