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base repository: cdk/cdk
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head repository: cdk/cdk
compare: 36c84398f280
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  • 4 commits
  • 15 files changed
  • 1 contributor

Commits on Mar 24, 2013

  1. moves MMFF94 parameter loading to a single (previously broken) method… 

    … - resolves failing unit test

Conflicts:
	src/main/org/openscience/cdk/modeling/builder3d/ForceFieldConfigurator.java

Change-Id: Ic3cbf8a0fd65c3ab8359154465dcf5f0c498ab5f
    @johnmay @egonw
    johnmay authored and egonw committed Mar 24, 2013
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  2. correct method name for inherited tests 

    Change-Id: I5946970fb1aced03e9dfdd96671c0a6f691cdcba
Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Mar 24, 2013
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  3. unit tests to ensure getCountFingerprint/getRawFingerprint throw an U… 

    …nsupportedOperation exception, in the case of the only implementor (SignatureFingerprint) the methods are overridden

Change-Id: I97c1588f57cb57135a729ebaec3349184cfb3e3e
Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Mar 24, 2013
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  4. unit test for Tanimoto from IBitFingerprint 

    Change-Id: Ic5c22a55f1af4b6d868b840dc269e4a1c0bf9d4d
Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Mar 24, 2013
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