Skip to content

rewrite waterdynamics to use AnalysisBase #18

Description

@orbeckst

Is your feature request related to a problem?

Code in analysis.waterdynamics does not behave like most of the analysis tools that ship with MDAnalysis.

There are various inconsistencies, notably

and the current approach also does not allow us to easily parallelize (#4080 ).

Describe the solution you'd like

Refactor code to use AnalysisBase, see how to write your own analysis code

Describe alternatives you've considered

Do nothing and maintain the code as is (but do not consider any enhancements or improvements).

Additional context

We are also considering decided moving wateranalysis to a separate MDAKit. Once the code is on a separate development track, it may be easier for users/developers to contribute.

MDAnalysis/mdanalysis#4310

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Fields

    No fields configured for issues without a type.

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions