Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.24%. Comparing base (b82903c) to head (a03f694).
⚠️ Report is 1 commits behind head on main.

@@            Coverage Diff             @@
##             main      #36      +/-   ##
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+ Coverage   98.21%   98.24%   +0.03%     
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  Files           8        8              
  Lines         615      626      +11     
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+ Hits          604      615      +11     
  Misses         11       11              

• ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@sbillinge, it's ready for review

@sbillinge. In that case, we don't need a separate tool for this MVP version diffpy.apps. Claude Code itself can download a cif file from COD out-of-box. Should I add a commit to remove this functionality?

I tried MP because it has finer search interface. COD can also work as good if we add a few skills in the future to better instruct the agent to navigate the database.

MP are calculated and not real structures. I think they can work ok but for political reasons it is better for the community if we load structures that were actually solved from data. People use MP because it is free and has an easy to use interface and not because the underlying data are good.

Got it. I will remove this tool and add a minimum skill about COD for user experience.

@sbillinge, it's ready for review.

I tried add a skill for fetching cif file, but it is more of restricting the flexibility of the way to interact with the agent and adding more maintenance and testing jobs for developers. Since it is already working without any outside tool or skill, I just removed this tool in the latest commit.