Separate category-owning sections from real CIF datablocks#176
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Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## develop #176 +/- ##
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- Coverage 86.01% 85.94% -0.08%
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Files 168 173 +5
Lines 13231 13335 +104
Branches 1557 1564 +7
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+ Hits 11381 11461 +80
- Misses 1275 1295 +20
- Partials 575 579 +4
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This change reorganizes how the library models the different pieces of a
project that own CIF-like categories. Crystal structures and experiments
stay "real" CIF data blocks — each one is saved with its own
data_<id>header, exactly as before. The
Analysissection (fitting mode,aliases, constraints, joint/sequential fit settings) and project-level
configuration are now treated as singleton sections that share the same
convenient features (category discovery, parameter listing, dirty
tracking,
help()tables) without pretending to be data blocks. As aresult: