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make the new code optional #11

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merged 9 commits into from
Sep 14, 2022
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Commits on Sep 12, 2022

  1. Fixed drawing of O in aldehydes. (rdkit#5515)

    * Fixed drawing of O in aldehydes.
    
    * Added DrawColour::operator!=.
    
    * Remove unused variable.
    
    * Export doLinesIntersect for test.
    
    Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
    Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
    3 people committed Sep 12, 2022
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Commits on Sep 13, 2022

  1. Fixed scale (rdkit#5519)

    * Make ACS mode work properly in fixed size drawers.
    
    * Extra comment.
    
    * Update hash codes.
    
    * Export doLinesIntersect.
    
    Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
    Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
    3 people committed Sep 13, 2022
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  2. Fixes rdkit#5505: problems when kekulizing molecules with query bonds (

    …rdkit#5550)
    
    * Fixes rdkit#5505
    
    * Switch to using hasBondTypeQuery()
    
    * update the docs
    
    * ensure we still fail with non-ring aromatic atoms
    
    * changes in response to review
    greglandrum committed Sep 13, 2022
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  3. Fix 5534 (rdkit#5535)

    * Fix crash in brackets extraction.
    
    * Add hashcode, tidy.
    
    * Remove unused variable.
    
    Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
    Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
    3 people committed Sep 13, 2022
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Commits on Sep 14, 2022

  1. Switch yaehmop wrapper to basic cmake (rdkit#5558)

    * switch to basic cmake from external project
    the external project stuff in cmake is overly opaque
    
    * enable yaehmop builds in CI
    
    * disable building of the yaehmop binary
    
    * Update External/YAeHMOP/CMakeLists.txt
    
    Co-authored-by: Ric <ricrogz@users.noreply.github.com>
    
    Co-authored-by: Ric <ricrogz@users.noreply.github.com>
    greglandrum and ricrogz committed Sep 14, 2022
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  5. Update CMakeLists.txt

    Co-authored-by: Sreya Gogineni <74024376+gosreya@users.noreply.github.com>
    greglandrum and gosreya committed Sep 14, 2022
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