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It appears that graphs provided to arsenic.stats.mle can have self-edges (edges that connect to the same node at both ends).
arsenic.stats.mle
This line assumes that cannot be the case, and will produce biased, incorrect estimates if provided with self-edges.
We should either automatically omit self-edges or raise an exception if they are encountered.
The text was updated successfully, but these errors were encountered:
78c8358
Merge pull request #38 from openforcefield/self-edges
1e355a6
Fix #37: Fix erroneous MLE estimate when self-edges are included
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It appears that graphs provided to
arsenic.stats.mle
can have self-edges (edges that connect to the same node at both ends).This line assumes that cannot be the case, and will produce biased, incorrect estimates if provided with self-edges.
We should either automatically omit self-edges or raise an exception if they are encountered.
The text was updated successfully, but these errors were encountered: