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MDAnalysis / waterdynamics

Analysis of water dynamics in molecular dynamics trajectories and water interactions with other molecules.
https://mdanalysis.org/waterdynamics
GNU General Public License v2.0
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Make waterdynamics stop behaviour the same as AnalysisBase #22

Open IAlibay opened 4 years ago

IAlibay commented 4 years ago

Is your feature request related to a problem?

As detailed in https://github.com/MDAnalysis/mdanalysis/pull/2525#issuecomment-608264856 several waterdynamics methods currently have an inclusive tf (i.e. final frame) behaviour instead of the exclusive behaviour exhibited by AnalysisBase's stop. In order to offer users a consistent API, it would be advantageous to make everything exclusive.

Describe the solution you'd like

Change the behaviour of the final frame definitions in waterdynamics to be exclusive.

Describe alternatives you've considered

The ideal alternative here is to switch waterdynamics over to AnalysisBase.

Additional context

PR MDAnalysis/mdanalysis#2525

PicoCentauri commented 3 years ago

I'm already working on the Analysis modules. I will move them to AnalysisBase.

hmacdope commented 1 year ago

Im going to add this to 3.0 as fits in thematically with MDAnalysis/mdanalysis#3893