#70 small problem in layout managers

closed
5
2012-10-08
2003-05-11
No

There is a minor glitch in the layout algorithm. The
attached screenshots is a layed out version of
cdk/data/r.cml. Note the selected atom, which are
strangly placed. Did not find the pattern, but it's not
just for this molecule.

Discussion

  • Egon Willighagen

    Screenshot of JCP with 'badly' layed out r.cml

     
  • Christoph Steinbeck

    Logged In: YES
    user_id=54358

    Problem is now solved. The method "getLongestUnplacedChain"
    in AtomPlacer did actuall return a non-connected chain,
    which is fixed now.

     
  • Egon Willighagen

    Logged In: YES
    user_id=25678
    Originator: YES

    Removed the MDL molfile test file, which was seriously messed up.

     

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