docs: full Doxygen API documentation for structure I/O#416
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April 22, 2026 18:08
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…tionary_blocks Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
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Summary
This PR adds complete Doxygen API documentation for Gemmi's structure file I/O layer, covering 10 headers:
mmcif.hpp— structure reading from mmCIF (make_structure, make_structure_from_block, ChemCompModel)mmread.hpp— universal structure reader (read_structure_file, format detection)mmread_gz.hpp— gzip-aware reading wrapperspdb.hpp— PDB-format reading (including hybrid-36, REMARK 290 symmetry)to_mmcif.hpp— structure writing to mmCIF (MmcifOutputGroups with 31 output categories)to_pdb.hpp— structure writing to PDB (PdbWriteOptions, use_hetatm classification)crd.hpp— Refmac CRD preparation (setup_for_crd, prepare_refmac_crd)smcif.hpp— small-molecule CIF reading/writing (fractional coordinates, SmallStructure)mmdb.hpp— CCP4 MMDB interop layer (copy_to_mmdb, copy_from_mmdb and helpers)pirfasta.hpp— PIR/FASTA sequence format (is_pir_format, read_pir_or_fasta)Documentation standard
///triple-slash Doxygen comments throughout@brief; non-obvious parameters have@param/@return/@throws/@tparamDependencies
This PR depends on PR #413 (Doxygen/Breathe infrastructure) being merged first.
It follows PR #414 (core data structures) and PR #415 (CIF handling) in the documentation series.
Series context
This is PR 4 of a planned series of 10 PRs adding incremental API documentation:
api-docs/infraapi-docs/core-structuresapi-docs/cifapi-docs/structure-ioapi-docs/reflectionapi-docs/maps-gridsapi-docs/calculationsapi-docs/chemistryapi-docs/scattering-mathapi-docs/io-utilsAttribution
Builds on and credits prior work in PR #402 (Paul Emsley / pemsley). All comments audited/rewritten where needed against actual implementations.