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Change Log

v1.0.4 (2017-04-11)

Full Changelog

Implemented enhancements:

  • Discrepancy between the CACTVS fingerprint spec and Compound.fingerprint #15
  • Using pubchempy / urllib behind proxy #11

Fixed bugs:

  • Two substance tests out-of-date #20
  • Xref-queries always 404 #18
  • TypeError when trying to download a compund with None as cid #13
  • On certain Compounds, the atoms() function fails #5

Merged pull requests:

  • Switch to using pytest for tests #23 (mcs07)
  • Decode CACTVS fingerprint to binary string #22 (mcs07)
  • Allow requests with xref input #19 (RickardSjogren)
  • add get_sdf function #17 (hsiaoyi0504)
  • fix #13 check if identifier is None and raise an exception to let the user know that the identifier is invalid #14 (llazzaro)
  • Add syntax highlighting and output to README example. #7 (bjodah)

v1.0.3 (2015-03-07)

Full Changelog

v1.0.2 (2014-04-02)

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Merged pull requests:

  • Add backwards-compatible Python 3 support #4 (mcs07)
  • Pandas Series #2 (zachcp)
  • fix ccordinate type recognition #1 (zachcp)

v1.0.1 (2014-01-06)

Full Changelog

v1.0 (2013-05-01)