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base repository: cdk/cdk
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  • 7 commits
  • 4 files changed
  • 1 contributor

Commits on Jun 25, 2016

  1. Tidy up and core method in 2D atom placing - minor optimisation 2N -> N.

    @johnmay
    johnmay committed Jun 25, 2016
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Commits on Jun 26, 2016

  1. Simplified (and corrected for partially laid out rings) bridged ring … 

    …placed, rather than changing the draw direction we just ensure the winding of the bridged atoms and the other share atoms is consistent.
    @johnmay
    johnmay committed Jun 26, 2016
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  2. Correct handling of partially placed rings.

    @johnmay
    johnmay committed Jun 26, 2016
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  3. Better ringset prioritisation favouring heterocycles

    @johnmay
    johnmay committed Jun 26, 2016
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  4. Modification to a previous patch: cis/trans correction should be done… 

    … before refined by wedges should be done after.
    @johnmay
    johnmay committed Jun 26, 2016
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  5. Only include acyclic fixed bonds where the src atoms is also acyclic … 

    …- adjust refinement to count bonds instead of atoms and allow these to moved out of the way.
    @johnmay
    johnmay committed Jun 26, 2016
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  6. Remove stray debug statement.

    @johnmay
    johnmay committed Jun 26, 2016
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