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kassonlab / run_brer

Python package for running bias-resampling ensemble refinement (BRER) simulations
GNU Lesser General Public License v2.1
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ValueError doesn't seem to fit the surrounding logic. #32

Closed eirrgang closed 2 years ago

eirrgang commented 2 years ago

Ref: https://github.com/kassonlab/run_brer/blob/532e5edf177734733a11c511e75cde922fccaf5a/run_brer/run_data.py#L106

The error message starts by asserting that the caller has named a specific pair, but the enclosing conditional is not name.

The structure of the conditional logic and the text of the message have remained consistent since the original commit b9b750a576975d9e8a410ab4a23a8807e9b085b6

Presumably, there is an error in the wording of the message, but we should examine carefully before updating.

eirrgang commented 2 years ago

Conclusion: the error message said the opposite of what it should have.

Corrected in #52

Thanks @carolinedav !