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base repository: bioclipse/bioclipse.cheminformatics
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head repository: bioclipse/bioclipse.cheminformatics
compare: 183a8379f774
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  • 11 commits
  • 12 files changed
  • 4 contributors

Commits on Aug 5, 2011

  1. Added extractSDFile method with IProgressMonitor 

    Implemented progress to advance one tick per molcule that is scaned
    Arvid Berg committed Aug 5, 2011
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  2. Run extractFromSDFile in a job 

    Solves bug 3039
    Arvid Berg committed Aug 5, 2011
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Commits on Aug 28, 2011

  1. Added a cdk.saveCML(List<? extends IMolecules>, String) to save lists… 

    … of molecules as CML
    @egonw
    egonw committed Aug 28, 2011
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  2. Revert "Added a cdk.saveCML(List<? extends IMolecules>, String) to sa… 

    …ve lists of molecules as CML"

Causes regressions.

This reverts commit 00a8777.
    @egonw
    egonw committed Aug 28, 2011
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Commits on Aug 31, 2011

  1. test for bug: 3055

    @jonalv
    jonalv committed Aug 31, 2011
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  2. fixed bug 3055

    @jonalv
    jonalv committed Aug 31, 2011
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Commits on Sep 1, 2011

  1. fix bug 3073, HandlerTest method -> manager test 

    Moved the HandlerTest method in the manager test cause it actually only tested if the SMILES file was loaded with properties and it's better to do that in CDKManager test.
    @jonalv
    jonalv committed Sep 1, 2011
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Commits on Sep 12, 2011

  1. Upgraded to OPSIN 1.1.0

    @egonw
    egonw committed Sep 12, 2011
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Commits on Nov 7, 2011

  1. Fixed merge conflicts manually

    @egonw
    egonw committed Nov 7, 2011
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  2. Added support for error markers

    @egonw
    egonw committed Nov 7, 2011
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Commits on Jan 9, 2012

  1. Allow header size to be less than content. 

    * Added TODO for defining process in wiki
    @olas
    olas committed Jan 9, 2012
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