Make it easy to fix and free energy offset#139
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henrikjacobsenfys merged 4 commits intodevelopfrom Mar 31, 2026
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henrikjacobsenfys
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[scope] enhancement
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## develop #139 +/- ##
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+ Coverage 97.75% 97.78% +0.03%
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Files 37 37
Lines 2493 2530 +37
Branches 422 434 +12
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+ Hits 2437 2474 +37
Misses 32 32
Partials 24 24
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rozyczko
approved these changes
Mar 31, 2026
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| raise TypeError(f'Q_index must be an int or None, got {type(Q_index).__name__}') | ||
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This raises TypeError but similar check in analysis_base in _verify_Q_index raises IndexError.
IndexError is probably a better choice.
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I think TypeError is correct, so I've updated analysis_base. Also makes the logic easier to follow in _verify_Q_index
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Make it easy to fix and free energy offset during analysis