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malramsay64 / statdyn-analysis

Collection of tools for the statistical dynamics analysis of Molecular Dynamics trajectories.
MIT License
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Handle errors and weird data in relaxations #47

Closed malramsay64 closed 6 years ago

malramsay64 commented 6 years ago

The calculation of the relaxation quantities was only configured to handle the case of optimal data being passed to it. This commit uses hypothesis to fuzz test the functions, along with patching all the issues that arose from the non-optimal data being thrown at the functions.

Fixes #46

codecov[bot] commented 6 years ago

Codecov Report

Merging #47 into master will decrease coverage by 0.39%. The diff coverage is 82.95%.

Impacted file tree graph

@@            Coverage Diff            @@
##           master      #47     +/-   ##
=========================================
- Coverage   83.35%   82.96%   -0.4%     
=========================================
  Files          19       19             
  Lines        1382     1432     +50     
=========================================
+ Hits         1152     1188     +36     
- Misses        230      244     +14
Impacted Files Coverage Δ
src/sdanalysis/relaxation.py 89.02% <82.95%> (-8.35%) :arrow_down:
src/sdanalysis/read.py 93.36% <0%> (+0.51%) :arrow_up:

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