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make the new code optional #11
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Commits on Sep 12, 2022
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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>
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Commits on Sep 13, 2022
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* 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>
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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
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* 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>
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Commits on Sep 14, 2022
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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>
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Co-authored-by: Sreya Gogineni <74024376+gosreya@users.noreply.github.com>
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