Migrate tests for "new" HTF features

IAlibay commented 8 months ago

This ports:

[x] "environment" virtual site tests (i.e. will tip4p-ew work without breaking the HTF)
[x] couple of extra lambda protocol tests (mainly just checking that setting the number of windows works)
[x] quick test that the omm_topology building works as intended (this used to be broken before)

Also adds a gitignore file, seems like it was missing?

IAlibay commented 8 months ago

This should be good to review @ijpulidos - should fix my review request for #24

codecov-commenter commented 8 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 86.11%. Comparing base (40486a2) to head (3818ccc).

Additional details and impacted files

```diff @@ Coverage Diff @@ ## htf-migration #32 +/- ## ================================================= + Coverage 84.79% 86.11% +1.31% ================================================= Files 8 8 Lines 1368 1368 ================================================= + Hits 1160 1178 +18 + Misses 208 190 -18 ```

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OpenFreeEnergy / feflow

Migrate tests for "new" HTF features #32

Codecov Report