test/sofra logic and parse tests - #107
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Tests for recipe model validators and types, ligand file parsing, and helper functions to check ambertools installation.
tests/test_ligand.pyandtests/test_helpers.pywere written entirely with @claude, other functions follow its' template with my additions and fixes.Added some fixes to
dtandsampling_timeaccepted values, as these were accepting values equal to 0, which didn't make much sense.