I would still like to go and refactor the tests found in mdbenchmark/tests/test_generate.py. I think those integration tests are extremely annoying to maintain and even harder to read.

I'd propose to do proper unit tests where applicable, and mock needed output inside of test_generate.py, such that we only end up testing the actual code that is in generate.py and not the utility functions.

Codecov Report

Merging #58 into master will increase coverage by 1.2%.
The diff coverage is 100%.

@@            Coverage Diff            @@
##           master      #58     +/-   ##
=========================================
+ Coverage   89.13%   90.33%   +1.2%     
=========================================
  Files          12       12             
  Lines         506      507      +1     
=========================================
+ Hits          451      458      +7     
+ Misses         55       49      -6

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 4007b64...06b40fd. Read the comment docs.

The changes from 9fcdbac can still be optimized. Nonetheless, dividing the extremely bulky test_generate into separate functions is way better.

Whoop whoop. Got the coverage up to 90% now. I'll check in the morning if I find any obvious mistakes.

This should be ready for a review @MSiggel @kain88-de.