validate-pdbx-test.cpp
7.11 KB
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Develop (#54) · 93375a50
* - renamed exists to contains - fix compare for ints where item is empty * - checking and optionally dropping ndb_poly_seq_scheme - fix in iterator_proxy * formatting data in reconstruction * Version bump * Attempt to get code compiling on macOS * attempt 2 to build on macOS * Added remove column * Added rename_column Added item_alias Rename columns in reconstruct * macOS... * Fixed serious bug in emplace of both datablock and file. * renaming field and column to item * replace tag with item or item_name * Fix validate pdbx * version bump * atom_site_anisotrop check * - changed compound::is_known_peptide/is_know_base - Add audit_conform only if file is really valid - Added reconstruction code for PDBx * pdb2cif work * gcc diagnostics and clipper * Fixing pdb2cif, and sequence checking * work around bug in old gcc * fix reconstruct sequence * formatting * some small optimisations * Fix url in compound message * Fix operator= for item_handle * Fix operator= for item_handle * new update_value in category * test builds faster now * Use Catch2 version 3 if installed * catch22
Maarten L. Hekkelman committed