Tuesday, November 01, 2011

CDK 1.4.4: the changes, the authors, and the reviewers

CDK 1.4.5 just got uploaded to SourceForge, and when I looked up the link to the notes for 1.4.4 I noted I had not released those notes yet. So, here are those first.

CDK 1.4.4 is the fourth bug fix release of the 1.4 series and brings another few bug fixes. The changes include new cobalt atom types, a fix to ensure that all molecular descriptors are properly recognized by the build system, and a fix for the Log4J-based LoggingTool, to properly handle nulls. So, not so many changes, which probably explains why I forgot to blog about it earlier.

The changes
  • Co final abf6b33
  • Fixed adding all descriptors to the qsar-descriptors.set file by using the correct number of chars to skip (@cdk.set length is 8 not 11). a75eece
  • Provide debug info on the classpath in which will be searched 88070ac
  • Check for a null input 5cd07d0
  • Unit test for a NullPointerException in the LoggingTool caused by a null message in an Exception. The error only shows up when debugging is turned on. 1e07adc
  • Split up to test the LoggingTool also with debugging turned on; so far, only with debugging turned of was tested 58bb243
The authors
 7  Egon Willighagen
 1  Gilleain Torrance
The reviewers

3  Rajarshi Guha 
1  Egon Willighagen

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