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Commits on Dec 11, 2023

• Merge pull request #5 from Aksonik/reading-HIN-format

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  Aksonik

  authored
  c7916c3

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• Reads atom types.

  Aksonik

  committed
  bc70178

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Commits on Dec 6, 2023

• Reads bonds orders!

  Aksonik

  committed
  a441c22

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Commits on Nov 30, 2023

• Merge pull request #4 from Aksonik/reading-HIN-format

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  Aksonik

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• Flexible coordinates format, i.e. only column number matters.

  Aksonik

  committed
  03a0528

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Commits on Nov 27, 2023

• Merge pull request #3 from Aksonik/reading-HIN-format

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  Aksonik

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  bf2d1e0

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• Set implicit bonds and atomic charge (only integer).

  Aksonik

  committed
  3dec76c

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Commits on Nov 21, 2023

• The valence error fixed.

  Aksonik

  committed
  500d2c5

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Commits on Nov 20, 2023

• Merge pull request #2 from Aksonik/reading-HIN-format

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  Aksonik

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• Distance calculations from a HIN file.

  Aksonik

  committed
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Commits on Nov 18, 2023

• Reading coordinates from a HIN file.

  Aksonik

  committed
  24fe88d

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• Reading coordinates from a HIN file.

  Aksonik

  committed
  676259b

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• Reading coordinates from a HIN file.

  Aksonik

  committed
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Commits on Nov 16, 2023

• README update.

  Aksonik

  committed
  3cda9da

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• Merge pull request #1 from Aksonik/reading-HIN-format

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  Aksonik

  authored
  89d0c4b

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• A brief branch description.

  Aksonik

  committed
  4b17238

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• Reading HIN files: For now only elements.

  Aksonik

  committed
  d2e8d3c

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• Reading HIN files: For now only elements.

  Aksonik

  committed
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Commits on Nov 6, 2023

• Fixes for canonicalization, and stereochemistry (#6743)

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  tadhurst-cdd

  and

  greglandrum

  authored
  d7c01af

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Commits on Nov 4, 2023

• Fix build error when serialization is off. (#6867)

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  vslashg

  authored
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Commits on Nov 3, 2023

• Switch over to using pytest to run the python tests (#5916)

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  greglandrum

  and

  ricrogz

  authored
  ab152a4

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Commits on Nov 1, 2023

• support generalized substructure search in the SubstructLibrary (#6835)

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  greglandrum

  authored
  908e47c

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Commits on Oct 28, 2023

• Fix stereo bond corruption on RGD. (#6832)

  jones-gareth

  authored
  81e9cb2

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• fix unclosed resource (#6846)

  ricrogz

  authored
  f463ae4

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Commits on Oct 25, 2023

• Fixes #6017 (#6825)

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  greglandrum

  authored
  4a69bc3

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Commits on Oct 24, 2023

• Remove redundant argument and variable `hasCoreDummies` (#6779) (#6786)

  MarioAndWario

  authored
  173f548

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Commits on Oct 23, 2023

• Fixes #6309 (#6824)

  greglandrum

  authored
  c496928

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Commits on Oct 22, 2023

• remove the deprecated python MolStandardize implementation (#6819)

  greglandrum

  authored
  086d2de

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• Fixes #6818 (#6820)

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  greglandrum

  authored
  42c09f5

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• Implement MinimalLib get_mcs() version that returns JSON (#6812)

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  ptosco

  and

  ptosco

  authored
  30d57eb

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Commits on Oct 19, 2023

• Fixes #6773 (#6785)

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  6 peopleauthored
  d9d1fe2

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Commits on Oct 18, 2023

• prep for next release cycle (#6803)

  greglandrum

  authored
  115317f

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• Removed some code duplication between Depictor.cpp and common.h (#6799)

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  3 peopleauthored
  036f75b

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Commits on Oct 17, 2023

• Exclude MCSParametersInternal from SWIG (#6808)

  jones-gareth

  authored
  2f6c80c

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Commits on Oct 13, 2023

• tag release (#6801)

  greglandrum

  authored
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