#693 DescriptorEngine.process() gets stuck

cdk-1.2.x
closed
Rajarshi Guha
None
9
2012-11-03
2008-07-30
No

DescriptorEngine.process() is inexplicable getting stuck processing descriptors for certain molecules. Attached is a SD File containing four such molecules. I left it running over night (over 12 hours) and it was still stuck on these same 4 molecules (4 threads). Each thread was using 100% CPU so it is either just churning away at something which isn't terminating, or there is some sort of busy wait going on.

This is with CDK 1.0.x.

Discussion

  • 4 molecules which causen DescriptorEngine to get stuck

     
    Attachments
  • Rajarshi Guha
    Rajarshi Guha
    2008-08-03

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    I can't read the attached SDF in the CDK or OpenBabel

     
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    Nicholas, please check the SD file you uploaded.

     
  • Rajarshi Guha
    Rajarshi Guha
    2008-10-27

    Since I do not see this error in trunk or 1.2.x for any of the test cases, I'm closing this bug