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Apply results from visualization lab regarding data classes for iterators & visualization improvements #303

@leahaeusel

Description

@leahaeusel

Description of the Issue:

With a visualization lab student of mine, we explored the possibility of adding a data class for each iterator (it has only been implemented for the grid iterator yet, see here). This data class would hold all the data that an iterator writes to the pickle file at the end of a QUEENS run. This allows users to see which output fields each iterator has before starting a QUEENS run. The data class also defines a fixed interface, e.g., for the visualization module, and can be easily reconstructed from an old pickle file.

In addition, some improvements regarding the visualization of the grid iterator and the variational inference iterators were implemented, including the following changes:

  • matplotlib -> plotly
  • png files -> html files

Proposed Solution:

No response

Action Items:

  • clean up the current branch (e.g., move visualization from data class to visualization module)
  • open a PR

Related Issues:

queens-py/queens-meetings#33

Interested Parties:

No response

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