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Commits on Dec 12, 2022

• - restore latest emsdk (#5857)

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  ptosco

  and

  Tosco, Paolo

  authored
  161b65a

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• - allow building PgSQL RPM and DEB packages by setting the correct DESTDIR path (#5836)

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  ptosco

  authored
  38cfc16

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Commits on Dec 10, 2022

• Get the wrappers working with SWIG 4.0 (#5795)

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  greglandrum

  authored
  aa336f3

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Commits on Dec 9, 2022

• Add a timeout protection for CIP calculations (#5772)

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  3 peopleauthored
  309ea55

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Commits on Dec 4, 2022

• - support molCol as list in addition to single string (#5835)

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  ptosco

  and

  Tosco, Paolo

  authored
  e2c5243

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Commits on Dec 3, 2022

• Fixes #5812 (#5820)

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  greglandrum

  authored
  80b3eeb

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Commits on Dec 2, 2022

• Fixes #5718 (#5825)

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  greglandrum

  authored
  2c16e09

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Commits on Dec 1, 2022

• Fixes #5784 (#5817)

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  greglandrum

  authored
  ff64514

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• Fixes #5810 (#5811)

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  greglandrum

  authored
  f37abdd

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• Remove dependency on MSVC runtime DLL in MinGW builds as it is not needed anymore (#5800)

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  ptosco

  and

  Tosco, Paolo

  authored
  64da27e

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• - update AvalonTools to version 2.0.4a (#5796)

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  ptosco

  and

  Tosco, Paolo

  authored
  d75d3e6

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Commits on Nov 29, 2022

• Enable get_molblock(details_json) from MinimalLib (#5806)

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  ptosco

  and

  Tosco, Paolo

  authored
  c94a47b

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Commits on Nov 28, 2022

• update macOS target platform to 10.13 (which is also the minimum required OS version for KNIME) (#5802)

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  ptosco

  and

  Tosco, Paolo

  authored
  234ed45

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Commits on Nov 26, 2022

• Draw type of SGroups (STY) in picture. (#5775)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  9657cc6

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Commits on Nov 25, 2022

• Expose getMolFrags in CFFI and MinimalLib (#5774)

  ptosco

  authored
  af8c5a0

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• addresses #5792 (#5793)

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  ptosco

  and

  Tosco, Paolo

  authored
  6a3e1f0

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• extend the allowed valences of the alkali earths (#5786)

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  greglandrum

  authored
  b817f29

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Commits on Nov 24, 2022

• Fix right-pointing last bracket in SGroup. (#5776)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  4b0a61d

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Commits on Nov 23, 2022

• Fix LocaleSwitcher on Windows when RDK_BUILD_THREADSAFE_SSS not set (#5783)

  roccomoretti

  authored
  5281d55

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Commits on Nov 18, 2022

• Fix #5683 (#5773)

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  greglandrum

  authored
  adfdeca

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Commits on Nov 17, 2022

• Add wavy stereo bond support to cdxml (#5755)

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  bp-kelley

  and

  Brian Kelley

  authored
  6d10f90

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Commits on Nov 16, 2022

• Fixes #5763 (#5764)

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  greglandrum

  authored
  2640819

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Commits on Nov 14, 2022

• Fixes #5704 (#5705)

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  greglandrum

  authored
  cfe512e

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• avoid passing a NULL pointer to CanSmiles (which will happen if there are not atoms in the molblock and hence a NULL SMILES) as undefined behavior will arise (#5750)

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  ptosco

  and

  Tosco, Paolo

  authored
  f642667

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Commits on Nov 8, 2022

• Enable additional parameters in prepareAndDrawMolecule() and expose them to CFFI/MinimalLib (#5731)

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  ptosco

  and

  Tosco, Paolo

  authored
  739b417

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Commits on Nov 7, 2022

• add includeRedundantEnvironments support to GetMorganGenerator (#5732)

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  greglandrum

  authored
  776441c

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• honor allowNontetrahedralChiralty when reading/writing SMILES (#5728)

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  greglandrum

  authored
  c757b5b

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• - replaced the Freetype::Freetype IMPORTED target with the standard pair of FREETYPE_INCLUDE_DIRS/FREETYPE_LIBRARIES vars (thus consolidating the mechanism that was already used my emscripten build…

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  ptosco

  and

  Tosco, Paolo

  authored
  e84a0a2

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• - added missing #include that caused the emscripten build to break (#5729)

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  ptosco

  and

  Tosco, Paolo

  authored
  e319617

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Commits on Nov 4, 2022

• Fixes bond index parsing for w/c/t/ctu labels in CXSMILES/CXSMARTS (#5722)

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  ricrogz

  authored
  8b368c2

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• Fixes #5677 (#5714)

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  bp-kelley

  and

  Brian Kelley

  authored
  da55ed2

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Commits on Nov 3, 2022

• stop building catch_main when tests are disabled (#5697)

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  greglandrum

  authored
  340ced1

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• fix deprecation warning (#5723)

  ricrogz

  authored
  1b67afd

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• Make PandasTools.RGroupDecompositionToFrame re-entrant (#5698)

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  greglandrum

  authored
  c8b569a

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Commits on Nov 2, 2022

• Fixes #5692 (#5706)

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  greglandrum

  authored
  812568e

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