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

Commits on Jan 25, 2014

  1. Deprecating redundant method. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 25, 2014
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  2. input.ready() doesn't really do anything. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 25, 2014
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  3. Empty molecules are rare but found - this should not halt the reader. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 25, 2014
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  4. Don't stop the world if a single invalid molecule is found. The itera… 

    …tor is meant for parsing large data sets and should not stop early if an invalid structure was found. If the SMILES could not be parsed the iterator now returns an empty container and set the attempted input as a property.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 25, 2014
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  5. Check for null input before closing the resource. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Jan 25, 2014
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