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fixed tests
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jrudz committed Feb 28, 2024
1 parent 80867bb commit 7cc3a55
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions tests/test_gromacsparser.py
Original file line number Diff line number Diff line change
Expand Up @@ -490,12 +490,12 @@ def get_dataset(filename_with_path):
assert sec_method.lambda_index == 7
assert sec_method.atom_indices.shape == (1,)
assert sec_method.atom_indices[0] == 0
assert sec_method.initial_state_vdw == True
assert sec_method.final_state_vdw == False
assert sec_method.initial_state_coloumb == False
assert sec_method.final_state_coloumb == False
assert sec_method.initial_state_bonded == True
assert sec_method.final_state_bonded == True
assert sec_method.initial_state_vdw is True
assert sec_method.final_state_vdw is False
assert sec_method.initial_state_coloumb is False
assert sec_method.final_state_coloumb is False
assert sec_method.initial_state_bonded is True
assert sec_method.final_state_bonded is True

assert sec_results.n_frames == 5001
assert sec_results.n_states == 11
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