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Refactor interface_reactions
module, add support for Plotly
#2233
Refactor interface_reactions
module, add support for Plotly
#2233
Conversation
@mkhorton My plan is to have this PR done by Wed, September 8, based on the previous timeline goal we set |
Fantastic, thank you for the update @mattmcdermott ! |
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interface_reactions
module, add support for Plotlyinterface_reactions
module, add support for Plotly
@mkhorton Should be pretty much done. Seems like linting and tests are failing for recent changes related to Optimade. Note: you'll see I changed something with |
Thanks @mattmcdermott! I think that method is also available on |
Ah true. The only downside is for compositions like |
Ah, I guess it acts on the Composition directly rather than formula, fair enough. |
Merged. Thanks again @mattmcdermott, this is great! |
Summary
plot()
now provides abackend
option for choosing matplotlib or Plotly.GrandPotentialInterfacialReactivity
class to separate code based on the use of grand potential phase diagrams (this greatly decreases the complexity of the__init__
args) and is a more inherited approach in generalget_dataframe()
method for plotting possible reactions in a Pandas dataframe. Users would typically have to write/copy boilerplate code to do this each timeChecklist
is to run the following in the correct sequence on your local machine. Start with running
black on your new code. This will automatically reformat
your code to PEP8 conventions and removes most issues. Then run
pycodestyle, followed by
flake8.
Run pydocstyle on your code.