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

Commits on Jan 23, 2014

  1. ElementRule needs a builder to create it's parameters. The parameter … 

    …are null to start with and then created once a builder was available (i.e. when validated).

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  2. Ensure atom types are set before saturate is invoked. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  3. Clone the atom and container before processing - a test indicates the… 

    …re should be no modifications.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  4. Pseudo atoms are set as atom type 'x' 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  5. Finer granularity in atom types - carbon Sp2 cation is now 'c.plus.pl… 

    …anar'.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  6. Using just the Atom.toString() doesn't really tell us what we want to… 

    … know.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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  7. F.plus.sp2 seems to be correct type for this fluorine. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 23, 2014
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