MDAnalysis / solvation-analysis

A comprehensive tool for analyzing liquid solvation structure.

https://solvation-analysis.readthedocs.io/en/latest/

GNU General Public License v3.0

46 stars 13 forks source link

Init kwargs fix #64

Closed orionarcher closed 2 years ago

orionarcher commented 2 years ago

Description

By default, the kwargs passed to solution.run() will also be passed to the internal call to InterRDF.run(). These can still be changed with the solution.rdf_run_kwargs property.

Addresses issue #46.

Todos

[x] pass kwargs to InterRDF.run()

Status

[x] Ready to go

codecov[bot] commented 2 years ago

Codecov Report

Merging #64 (9443b53) into main (9f34a1f) will increase coverage by 0.02%. The diff coverage is 100.00%.

orionarcher commented 2 years ago

Hey @hmacdope, pretty simple change here, but I think it should address issue #46!

orionarcher commented 2 years ago

Thanks for merging. x = y or z has become my favorite trick recently :)