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base repository: cdk/cdk
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  • 5 commits
  • 6 files changed
  • 1 contributor

Commits on Dec 29, 2014

  1. Marking the MassToFormulaTool as deprecated.

    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    tomas-pluskal authored and johnmay committed Dec 29, 2014
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  2. Added a new MolecularFormulaGenerator

    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    tomas-pluskal authored and johnmay committed Dec 29, 2014
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  3. Added MolecularFormulaGeneratorTest to MFormulaTests suit, removed th…

    …e duplicated MoleculaFormulaRangeManipulatorTest entry
    
    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    tomas-pluskal authored and johnmay committed Dec 29, 2014
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  4. Added Pluskal2012 to CDK bibliography.

    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    tomas-pluskal authored and johnmay committed Dec 29, 2014
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  5. Added Javadoc tags to MolecularFormulaGenerator

    Signed-off-by: John May <john.wilkinsonmay@gmail.com>
    tomas-pluskal authored and johnmay committed Dec 29, 2014
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