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Use non-isometric smiles #237

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Merged
merged 1 commit into from
Jul 19, 2018
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@delta2323 delta2323 commented Jul 19, 2018

RDKit changes the default value of isometricSmiles of MolToSmiles() from version 2018.03.1 (See its release note). This PR sets the option explicitly to keep compatibility.

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Codecov Report

Merging #237 into master will not change coverage.
The diff coverage is 50%.

@@          Coverage Diff           @@
##           master    #237   +/-   ##
======================================
  Coverage    81.9%   81.9%           
======================================
  Files         108     108           
  Lines        5249    5249           
======================================
  Hits         4299    4299           
  Misses        950     950

@mottodora mottodora merged commit 801352e into chainer:master Jul 19, 2018
@mottodora mottodora mentioned this pull request Jul 19, 2018
@mottodora mottodora added this to the 0.4.0 milestone Jul 19, 2018
@corochann corochann modified the milestones: 0.4.0, 0.5.0 Feb 7, 2019
@natsukium natsukium modified the milestones: 0.5.0, 0.4.0 Feb 7, 2019
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5 participants