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Patch/smarts stereo ringclosures #228

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merged 2 commits into from Aug 17, 2016
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@johnmay johnmay commented Aug 16, 2016

Spotted this morning quite a bad bug with stereo matching in SMARTS. Tricky to fix as needed to change javacc but managed to work it out.

…e reason was the stereochemistry ordering was read incorrectly due to how rings were handled in the SMARTS parser, to fix the nesting of the syntax tree needed to be changed.
@egonw egonw merged commit cf60ea5 into master Aug 17, 2016
@johnmay johnmay deleted the patch/smarts-stereo-ringclosures branch August 18, 2016 14:56
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