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Input problem in WaterOrientationalRelaxation #2259
Code to reproduce the behavior
I'm giving a selection of only oxygens, and it should crash, but it doesn't.
import MDAnalysis from MDAnalysis.analysis.waterdynamics import WaterOrientationalRelaxation as WOR u = MDAnalysis.Universe(pdb, trajectory) selection = "name OH2 and sphzone 6.0 protein and resid 42" WOR_analysis = WOR(universe, selection, 0, 1000, 20) WOR_analysis.run() ....
I've just realize that this PR create the error #1293
Why is py3 style division necessary?
At the moment MDA needs to run under Py 2.7 and Py 3.5+. So all files need to use
It is possible that PR #1293 wrongly replaced integer division with floating point division. Such things should be caught by tests and code review but sometimes the tests do not cover a particular corner case and if the reviewer is not the original author of the code then such things can slip through.
That's why we insist that code authors write tests that cover their code well because it's hard to maintain code when the original authors are not responsive to reviewing PRs any more.