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hydrogenbond analysis should check for missing bonds in the same way as the serial code

Open orbeckst opened this issue 4 years ago • 0 comments

The PMDA version of the new h-bond analysis code

  • raises ValueError
  • check u.bonds

The serial version

  • raises NoDataError
  • checks u._topology.bonds

in PR https://github.com/MDAnalysis/mdanalysis/pull/2572

This came out of discussion in https://github.com/MDAnalysis/mdanalysis/issues/2396#issuecomment-596251787 and the PMDA version should do the same for performance and consistency.

orbeckst avatar Mar 09 '20 21:03 orbeckst