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#1 getCyclicBonds() throws unexpected CMLException

closed-fixed
nobody
None
8
2006-12-13
2006-04-04
No

The getCyclicBonds() rountine in ConnectionTableTool,
calls CMLBondSet in its calculation, which throws a
CMLException when trying to add a bond that is
already in the Set (called from getRingNucleiBondSets
()) - unfortunately this seems to throw an exception
whenever you try to do any calculations on a molecule
with any rings.

Discussion

  • Peter Murray-Rust

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    I believe this to have been fixed over the last few weeks.
    In general it will help to have a unit test that throws errors like this.
    P.

     
  • Peter Murray-Rust

    • status: open --> open-fixed
     
  • Jim Downing

    Jim Downing - 2006-12-13
    • status: open-fixed --> closed-fixed
     

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