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Update base.py
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Check if HMMs are provided if chemical clustering is also required.
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m-a-r-i-u-s authored Sep 16, 2024
1 parent d5600a4 commit d53493c
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2 changes: 2 additions & 0 deletions domhmm/analysis/base.py
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Expand Up @@ -269,6 +269,8 @@ def __init__(
else:
# User-specified trained HMM provided, check for consistency with expected format

assert not any(self.cluster_groups), "Chemical clustering is required, but pre-trained HMMs were provided. Chemical clustering does not require HMMs. Will terminate!"

# Check for assymmetric membrane
if self.asymmetric_membrane:
# Asymmetric membrane functionality was triggered! Assuming same/different lipid types per leaflet
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