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Commits on Jan 25, 2019

• Added exports (#2242)

  

  ricrogz

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  greglandrum

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Commits on Jan 24, 2019

• Fix #2197 and #2237 (#2238)

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  greglandrum

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  bp-kelley

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  7ba5c54

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Commits on Jan 22, 2019

• Change boost int types to std types (#2233)

  

  bp-kelley

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  greglandrum

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  373a890

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• Fixes #2229 (#2235)

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  greglandrum

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  bp-kelley

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• Support for parsing/writing SGroups in SD Mol files. (#2138)

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  ricrogz

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  greglandrum

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Commits on Jan 21, 2019

• Fixes #2224 (#2234)

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  greglandrum

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  bp-kelley

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  069e920

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Commits on Jan 18, 2019

• Fixes #2209 - testEnumeration on 32bit systems (#2226)

  

  bp-kelley

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  greglandrum

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Commits on Jan 17, 2019

• Fix #2225 (#2228)

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  greglandrum

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  bp-kelley

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Commits on Jan 16, 2019

• Added documentation files written in Japanese into Book directory (#2210)

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  magattaca

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  greglandrum

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  3683cfe

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Commits on Jan 15, 2019

• Fix for Issue #2174. (#2175)

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  janholstjensen

  authored and

  greglandrum

  committed
  6c1dc44

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• Silencing the following Python 3 warning message: (#2223)

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  coleb

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  greglandrum

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  c3b7fdc

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Commits on Jan 14, 2019

• Fixes #2220 (#2221)

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  greglandrum

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  bp-kelley

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  395c312

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Commits on Jan 11, 2019

• remove the RDPharm3D documentation (#2213)

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  greglandrum

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  bp-kelley

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  0bebef8

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• re-enable (and update) the file parser tests (#2208)

  greglandrum

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  18f6484

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• Fix #2176: InChI functions should return NULL on un-InChI-able input molecules. (#2177)

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  janholstjensen

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  greglandrum

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Commits on Jan 9, 2019

• removed unused and outdated file rdkit/Chem/PeriodicTable.py (#2141)

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  UnixJunkie

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  greglandrum

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  a5772c4

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Commits on Jan 6, 2019

• Less warnings (#2155)

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  UnixJunkie

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  greglandrum

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  83b155a

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• Update build rules for coorgen & maeparser (#2184)

  

  ricrogz

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  greglandrum

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Commits on Jan 5, 2019

• Do not allow PandasTools to overwrite pandas settings (#2206)

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  sirbiscuit

  authored and

  greglandrum

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  cb444f2

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Commits on Jan 2, 2019

• RGroupDecomposition fixes, keep userLabels more robust onlyMatchAtRGroups (#2202)

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  bp-kelley

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  greglandrum

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  73e6b75

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• Some refactoring of the distance geometry code (#2153)

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  greglandrum

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  a59997b

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Commits on Dec 29, 2018

• Fix TautomerTransform in operator= (#2203)

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  bp-kelley

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  greglandrum

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  a85e80b

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Commits on Dec 28, 2018

• Update installation instructions for Linux (#2181)

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  sirbiscuit

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  greglandrum

  committed
  021838b

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• Skip compound if smiles conversion fails (#2168)

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  msteijaert

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  greglandrum

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Commits on Dec 26, 2018

• Update to use the travis Xenial environment (#2200)

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  greglandrum

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  bp-kelley

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  6a36c87

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Commits on Nov 18, 2018

• Fixes #2144 (#2147)

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  greglandrum

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  bp-kelley

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  fa27a5e

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Commits on Nov 15, 2018

• typo (#2157)

  

  UnixJunkie

  authored and

  greglandrum

  committed
  55b4b77

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• Rename the #define _DEBUG to MMPA_DEBUG as _DEBUG is defined bu MSVC whenever a Debug build is specifed, but that is not the intention here. (#2140)

  

  baoilleach

  authored and

  greglandrum

  committed
  213b631

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Commits on Nov 11, 2018

• Added stk into the "Projects using RDKit" section of the README. (#2162)

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  lukasturcani

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  greglandrum

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Commits on Nov 8, 2018

• add a bunch of extension module documentation (#2161)

  

  greglandrum

  authored and

  bp-kelley

  committed
  76c9501

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• Fixes #2142 (#2146)

  

  greglandrum

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  bp-kelley

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• ShapeTverskyIndex python function (#2156)

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  susanhleung

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  greglandrum

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Commits on Nov 5, 2018

• Fixes #2151 (#2152)

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  greglandrum

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  bp-kelley

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  01b79a0

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• Fixes #2149 (#2150)

  

  greglandrum

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  bp-kelley

  committed
  710c9a7

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Commits on Nov 3, 2018

• Stop building against python2 in travis (#2134)

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  greglandrum

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  213b776

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