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Merge pull request #415 from OpenBioSim/fix_414
Fix issue #414
2 parents 30a7759 + fb3943a commit 0c8886a

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+12
-6
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+12
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python/BioSimSpace/FreeEnergy/_relative.py

Lines changed: 12 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1178,19 +1178,25 @@ def _preprocess_data(data, estimator, **kwargs):
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raw_data = data
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# Data length.
1181-
data_len = len(data[0])
1181+
data_len = [len(i) for i in data]
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# Step size.
1184-
data_step = round((data[0].index[-1][0] - data[0].index[-2][0]), 1)
1184+
data_step = [round((i.index[-1][0] - i.index[-2][0]), 1) for i in data]
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# Get the upper and lower bounds for truncate.
1187-
truncate_lower = (data_len * (truncate_lower / 100)) * data_step
1188-
truncate_upper = (data_len * (truncate_upper / 100)) * data_step
1187+
truncate_lower = [
1188+
(data_len[i] * (truncate_lower / 100)) * data_step[i]
1189+
for i in range(len(data_len))
1190+
]
1191+
truncate_upper = [
1192+
(data_len[i] * (truncate_upper / 100)) * data_step[i]
1193+
for i in range(len(data_len))
1194+
]
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try:
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data = [
1192-
_slicing(i, lower=truncate_lower, upper=truncate_upper)
1193-
for i in raw_data
1198+
_slicing(d, lower=truncate_lower[i], upper=truncate_upper[i])
1199+
for i, d in enumerate(raw_data)
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]
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except:
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_warnings.warn("Could not truncate data.")

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