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assertion in line 123 of system.universe fails on latest version of development MDAnalysis #1

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edisj opened this issue Nov 11, 2021 · 1 comment

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@edisj
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edisj commented Nov 11, 2021

Expected behavior

NapAUniverse(top.tpr) loads without failing

Actual behavior

It fails due to the assertion here

assert len(protein.residues) - 1 == protein.residues[-1].resnum

Code to reproduce the behavior

Locally, on a fresh development environment:
image

testing the file manually gives
image

Using Ian's environment (conda activate ~ikenney/miniconda3/envs/napalib/) on the workstation gives the expected behavior the code's assertion wants:
image

I am able to read the same exact TPR file on the workstation using Ian's conda environment, so I'm guessing the issue is that the MDAnalysis used in the conda environment is out of date, and something changed in a more recent version.

Current version of MDAnalysis

  • Which version are you using? '2.0.0-dev0'
  • Which version of Python (python -V)? Python 3.9.0
  • Which operating system? windows 10
@ianmkenney
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With a fresh install I don't see the above behavior. It might be a windows issue.

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