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Notebook cleanup #44
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Notebook cleanup #44
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I've fixed the parameter order when creating the FEPData objects, swapping detectEQ and the name.
Then I get this error:
TypeError: plot_general() got an unexpected keyword argument 'pdf_type'
because this relies on branch add_replicas
of the SAFEP repo (possibly an updated version that is not on the public repo, as the name of that option is PDFtype
in the version I have).
We need to merge that branch before we merge this.
@jhenin I have opened a PR with those changes over in the safep repo: BranniganLab/safep#41 |
… compatibility with safep package
…torial into notebook_cleanup
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Good for me, pending the merge of BranniganLab/safep#41
With current SAFEP module, I get:
|
To address issue #43
Much of the notebook's code has been removed to a helper module. Data are now encapsulated in dataclasses making the user interface much simpler.