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Commits on Sep 21, 2018

• conformer doc update

  

  Kovas Palunas

  committed
  7b1122b

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• Update Readme.md (#2051)

  greglandrum

  authored
  d5d29ab

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Commits on Sep 18, 2018

• switch to v1.0.1 of the maeparser (#2048)

  greglandrum

  authored
  1b562a0

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• fixes #2046 (#2047)

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  greglandrum

  authored
  60b052f

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Commits on Sep 17, 2018

• enable SVG parsing from Python (#2045)

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  greglandrum

  authored
  abcecf7

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• patch a memory allocation problem in the maeparser v1.0.0 (#2044)

  greglandrum

  authored
  2966c9d

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• add test for inertial shape factor

  greglandrum

  committed
  99aab84

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• Fixes #2037 (#2039)

  greglandrum

  authored
  44fd4e1

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• Fixes #2034 (#2035)

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  greglandrum

  authored
  50d2328

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• a couple of small tweaks to the new fingerprint rendering code (#2032)

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  greglandrum

  authored
  12011ad

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• Allow dumping interchange information into SVG files (#2030)

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  greglandrum

  authored
  b91daa8

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Commits on Sep 10, 2018

• Fixes #2025 (#2026)

  greglandrum

  authored
  4e953b6

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Commits on Sep 8, 2018

• Fixes #2027 (#2028)

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  greglandrum

  authored and

  bp-kelley

  committed
  afe7e34

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Commits on Sep 5, 2018

• correct mistake in halogen cleanup and add test cases, fix for #2020 (#2021)

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  avaucher

  authored and

  greglandrum

  committed
  ee12b4c

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• port fingerprint bit rendering code from CheTo (#2008)

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  greglandrum

  authored
  bcd3afe

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• Add missing boost header (#2016)

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  gncs

  authored and

  greglandrum

  committed
  c8154a4

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Commits on Sep 4, 2018

• Start to use Catch2 for new tests (#1732)

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  greglandrum

  authored and

  bp-kelley

  committed
  223513a

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• Resolve #1269 (#1991)

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  greglandrum

  authored and

  bp-kelley

  committed
  f0c0e6a

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Commits on Aug 16, 2018

• update expected cartridge regression results

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  greglandrum

  committed
  2f6c62e

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Commits on Aug 13, 2018

• Fixes #1988 (#1997)

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  greglandrum

  authored
  8a09908

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• Fixes #1990 (#1992)

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  greglandrum

  authored and

  bp-kelley

  committed
  8a08c32

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• fixes #1999 (#2004)

  

  greglandrum

  authored and

  bp-kelley

  committed
  09acc0c

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Commits on Aug 12, 2018

• fixes #2000 (#2001)

  

  greglandrum

  authored and

  bp-kelley

  committed
  b73fc3e

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• Add support for constructing atoms/bonds from SMILES/SMARTS (#1998)

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  greglandrum

  authored and

  bp-kelley

  committed
  bccf5da

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• Part of a fix for #1993 (#1994)

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  greglandrum

  authored and

  bp-kelley

  committed
  6782634

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• Call updatePropertyCache() before generating SMARTS. (#1986)

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  greglandrum

  authored and

  bp-kelley

  committed
  a9ed60d

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Commits on Jul 30, 2018

• Fixes #1972 (#1983)

  

  greglandrum

  authored and

  bp-kelley

  committed
  9b11272

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• Fix github1973: support optional inclusion of S and P contributions to TPSA (#1977)

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  greglandrum

  authored and

  bp-kelley

  committed
  66f5ca1

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• these should have been updated as part of #1940 (#1981)

  greglandrum

  authored
  8102595

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Commits on Jul 25, 2018

• Fixes #1903 (#1971)

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  greglandrum

  authored
  2738c35

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Commits on Jul 20, 2018

• Clarify that this file is covered under the parent RDKit BSD license. (#1970)

  

  coleb

  authored and

  bp-kelley

  committed
  b585c04

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• Fix for #1968 (#1969)

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  greglandrum

  authored and

  bp-kelley

  committed
  4fcd641

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• Add conda-forge tip to Install.md (#1967)

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  pstjohn

  authored and

  greglandrum

  committed
  e6e670c

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Commits on Jul 19, 2018

• update knime urls (#1966)

  greglandrum

  authored
  db9af1a

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Commits on Jul 18, 2018

• Fixes #1869 (#1961)

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  greglandrum

  authored
  ba157fd

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