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asv: refine tests with PBC/no-PBC

Open orbeckst opened this issue 8 years ago • 0 comments

Follow-up on PR #1695, which included initial tests for distance based calculations. The comments noted a few issues

  • use of core.flags https://github.com/MDAnalysis/mdanalysis/pull/1695#discussion_r148338963
  • clear separation of tests with and without PBC https://github.com/MDAnalysis/mdanalysis/pull/1695#issuecomment-341405236

The asv benchmarks, specifically in benchmarks/analysis/distances.py should be refined to address the above comments.

orbeckst avatar Dec 05 '17 22:12 orbeckst