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Perform SMARTS matching on a shallow copy. #295

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merged 1 commit into from Apr 2, 2017
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@johnmay johnmay commented Apr 2, 2017

Fixes one of test regressions. We now cache adjlist computation in SMARTS matching on a mol property. This actually makes the Mmff code fast but an invariant I wanted was to clean off the MMFF props when finished.

Ultimately the caching in the matching will be removed once I finish the AtomRef stuff.

@egonw egonw merged commit d91a8e7 into master Apr 2, 2017
@johnmay johnmay deleted the patch/fixmmffclearprops branch June 16, 2017 18:37
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