#40 Long chains not layed out nicely in SDG

closed
5
2012-10-08
2002-10-29
No

A long chain like this is not layed out nicely in SDG.
There must be a bug in the code responsible for drawing
elongated chains.

CC1(C(=C(CC(C1)O)C)C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(CC(CC1(C)C)O)C)C)C)C)C)C

Discussion

  • Christoph Steinbeck

    A layout result of CDK SDG with the pour layout of long chains at the end.

     
  • Christoph Steinbeck

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    See also attached graphics

     
  • Christoph Steinbeck

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    The method getLongestUnplacedChain() in AtomPlacer did not
    correctly return the longest unplaced chain. This was
    because AtomContainer.shallowCopy does not work as expected,
    at least not in this case. I created a new method
    getCopy(AtomContainer) in AtomPlacer, which just copied
    bonds and atoms to a new AtomContainer as needed here.
    Have not check Peters new bug yet :-) but I'll close this one.

     

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