MDAnalysis / solvation-analysis

A comprehensive tool for analyzing liquid solvation structure.
https://solvation-analysis.readthedocs.io/en/latest/
GNU General Public License v3.0
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Reorganize analysis library #69

Closed orionarcher closed 2 years ago

orionarcher commented 2 years ago

Description

This PR has no new or deleted functionality, it simply breaks out the analysis classes so there is one file per class. This should make the addition of new analysis classes in the future much easier.

It also adds test data for a ZnOTf2 system.

No feedback is needed so I will merge when this passes CI.

Todos

Notable points that this PR has either accomplished or will accomplish.

Status

codecov[bot] commented 2 years ago

Codecov Report

Merging #69 (4972b64) into main (12ebf74) will increase coverage by 0.07%. The diff coverage is 98.06%.

Additional details and impacted files