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update
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xiki-tempula committed Dec 5, 2022
1 parent 68b7be4 commit 06c1de0
Showing 1 changed file with 2 additions and 5 deletions.
7 changes: 2 additions & 5 deletions src/alchemlyb/tests/test_preprocessing.py
Original file line number Diff line number Diff line change
Expand Up @@ -65,14 +65,11 @@ def test_basic_slicing(self, data, size, request):
== size
)

def test_unchanged(self):
def test_unchanged(self, namd_idws):
# NAMD energy files only have dE for adjacent lambdas, this ensures
# that the slicer will not drop these rows as they have NaN values.
file = load_idws().data['forward'][0]
u_nk = namd.extract_u_nk(file, 298)

# Do the pre-processing as the u_nk are from all lambdas
groups = u_nk.groupby('fep-lambda')
groups = namd_idws.groupby('fep-lambda')
for key, group in groups:
group = group[~group.index.duplicated(keep='first')]
df = self.slicer(group, None, None, None)
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