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Commits on Jan 14, 2022

• update CI VMs to latest versions (#4869)

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  greglandrum

  authored
  aaf1594

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• build documentation for 3 missing modules (#4879)

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  ptosco

  and

  Tosco, Paolo

  authored
  74ce726

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• Implemented a quick fix for issue 4875 (#4876)

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  nielskm

  authored
  6bb4f8b

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• update MD5 for the comicneue font (#4885)

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  greglandrum

  authored
  d05501c

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Commits on Jan 10, 2022

• Fix RunFilterCatalog() thread counts. (#4856)

  xavierholt

  authored
  9b99cac

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• RGD: dummy atom in input structure is mishandled (#4863)

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  jones-gareth

  and

  greglandrum

  authored
  a9bc39e

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• fix bug with wedges being drawn backwards (#4868)

  greglandrum

  authored
  67f877b

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Commits on Jan 5, 2022

• Fixes #4842: support $ for quadruple bonds in SMILES and SMARTS (#4850)

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  greglandrum

  authored
  f777af9

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• Fixes #4821 and #4823 (#4822)

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  greglandrum

  authored
  bca1590

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Commits on Jan 4, 2022

• Fixes a few MolDraw2D problems (#4839)

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  greglandrum

  authored
  f007a93

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Commits on Dec 29, 2021

• Fixes #4809: double bond stereo can now be set after calling replaceCore() (#4827)

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  greglandrum

  authored
  7f73da7

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Commits on Dec 28, 2021

• correctly tag unspecified branch-begin bonds in SMARTS (#4811)

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  greglandrum

  authored
  e912c8d

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Commits on Dec 27, 2021

• Fix a number of crashing bugs in the python wrappers (#4810)

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  greglandrum

  authored
  b440dc3

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Commits on Dec 17, 2021

• Fixes #4764 (#4807)

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  greglandrum

  authored
  727ca8d

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• Fixes #4785: aromatic bonds no longer set aromatic flags on atoms (#4806)

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  greglandrum

  authored
  8390dfd

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Commits on Dec 16, 2021

• Fix `_moltoSVG` to avoid kekulization failure (#4793)

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  toslunar

  authored
  c01374f

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Commits on Dec 15, 2021

• Allow using heavy atoms only in the FragmentChooser (#4791)

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  ptosco

  and

  Tosco, Paolo

  authored
  fed45f9

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• silence warnings in MSVC compliatons (#4796)

  bp-kelley

  authored
  866e0f1

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Commits on Dec 14, 2021

• Allow MolDraw2DCairo and MolDraw2DSVG to determine canvas size based on the molecule (#4772)

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  greglandrum

  authored
  71b518c

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Commits on Dec 13, 2021

• Fixes #4789 (#4790)

  greglandrum

  authored
  f0cf0b0

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Commits on Dec 10, 2021

• Fixes #4787 (#4788)

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  greglandrum

  and

  ptosco

  authored
  6225705

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• Fixes crashing bug with finalSubstructChecks (#4782)

  greglandrum

  authored
  25df391

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Commits on Dec 8, 2021

• generate the sql update files in the binary (build) directory (#4777)

  rvianello

  authored
  6b5784c

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• Improve CMake integration of PgSQL build (#4767)

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  ptosco

  and

  Tosco, Paolo

  authored
  e273967

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Commits on Dec 6, 2021

• fix typos (#4769)

  greglandrum

  authored
  ff1ea80

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Commits on Dec 3, 2021

• Fixes #4759 (#4760)

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  greglandrum

  authored
  97a609f

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• Refactor the memory management of the postgres cartridge cache module (#4755)

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  rvianello

  authored
  db673b1

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Commits on Dec 2, 2021

• Github4519 (#4726)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  20a7e00

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Commits on Dec 1, 2021

• Add support for Beilstein generics when doing substructure queries (#4673)

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  greglandrum

  authored
  52f73e4

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Commits on Nov 30, 2021

• get the relevant (_)get_adjustment attribute consistently across the PandasTools module (#4744)

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  ptosco

  and

  Tosco, Paolo

  authored
  f154c29

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Commits on Nov 29, 2021

• remove dead code (#4739)

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  ptosco

  and

  Tosco, Paolo

  authored
  29ebf45

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Commits on Nov 28, 2021

• Update mac CI builds (#4738)

  greglandrum

  authored
  bd42ad6

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Commits on Nov 27, 2021

• RGroup core output aligned to inout structure (#4709)

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  jones-gareth

  and

  greglandrum

  authored
  f8241c8

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• Fixes #4700: changes default tautomer enumeration rules (#4727)

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  greglandrum

  authored
  1431c48

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Commits on Nov 26, 2021

• fixes #4736 (#4737)

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  ptosco

  and

  Tosco, Paolo

  authored
  0b744c8

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