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Author	SHA1	Message	Date
Maarten L. Hekkelman	20971e1ee9	Fix cif2pdb, somewhat...	2026-05-18 13:44:05 +02:00
Maarten L. Hekkelman	ce6a953eff	Fix documentation rules	2026-05-18 12:59:03 +02:00
Maarten L. Hekkelman	87c20c26ec	Fix error message	2026-05-18 12:51:26 +02:00
Maarten L. Hekkelman	025ad93d06	add more tests ... don't use get_item_indices version bump v10.0.4	2026-05-18 12:17:31 +02:00
Maarten L. Hekkelman	e98fe2608a	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-05-18 11:52:34 +02:00
Maarten L. Hekkelman	0399d99ca6	Fix in find_by_value	2026-05-18 11:52:06 +02:00
Maarten L. Hekkelman	71b24a678e	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-04-22 11:36:49 +02:00
Maarten L. Hekkelman	dc03cb6a70	Changed handling of numbers witth a leading plus character	2026-04-22 11:36:13 +02:00
Maarten L. Hekkelman	de9b33a918	Changed handling of numbers witth a leading plus character	2026-04-22 11:17:25 +02:00
Maarten L. Hekkelman	56c75490f2	Fix reconstruction, and reconstruction test files	2026-04-21 11:39:50 +02:00
Maarten L. Hekkelman	20695404c1	Leave unknown items untouched	2026-04-20 10:49:30 +02:00
Maarten L. Hekkelman	46ea0ca930	Clear pdbx_nonpoly_scheme before filling it in reconstruction v10.0.3	2026-04-14 15:49:20 +02:00
Maarten L. Hekkelman	0da8ba85bf	right aligning values in cif v10.0.2	2026-04-14 11:22:26 +02:00
Maarten L. Hekkelman	5d3734e2a5	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-04-14 09:35:46 +02:00
Maarten L. Hekkelman	e692ed6c87	Remove runtime lib statements for msvc	2026-04-14 09:35:38 +02:00
Maarten L. Hekkelman	da8e81f871	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-04-14 09:23:51 +02:00
Maarten L. Hekkelman	0aef601bfd	Remove spherical_dots, fix for finding fast_float, I hope	2026-04-14 09:23:39 +02:00
Maarten L. Hekkelman	39644c1bd1	Update validation code, added pdbx_item_enumeration check and test case-sensitive when required.	2026-04-13 10:38:43 +02:00
Maarten L. Hekkelman	421758a01c	automatic include generation is evil	2026-04-02 09:36:34 +02:00
Maarten L. Hekkelman	a3a0e5cc70	Fix symmetry operations	2026-03-31 15:48:21 +02:00
Maarten L. Hekkelman	9268aa3cfc	Remove debug statement	2026-03-31 08:41:04 +02:00
Maarten L. Hekkelman	187d7fc314	only use polymer entities to create pdbx_poly_seq_scheme	2026-03-30 08:20:50 +02:00
Maarten L. Hekkelman	6df8b435ec	Fix reconstruction of pdbx_poly_seq_scheme, again...	2026-03-25 16:16:24 +01:00
Maarten L. Hekkelman	399827db41	Version bump	2026-03-25 09:59:53 +01:00
Maarten L. Hekkelman	57aaf36bde	Fix regression in reconstruct	2026-03-25 09:58:45 +01:00
Maarten L. Hekkelman	a804f6d107	Merge branch 'develop' into trunk v10.0.1	2026-03-24 08:22:55 +01:00
Maarten L. Hekkelman	0ab75e866e	If fastfloat is needed, it should be installed system wide	2026-03-24 08:15:17 +01:00
Maarten L. Hekkelman	a092760c1e	include fast_float	2026-03-23 18:45:14 +01:00
Maarten L. Hekkelman	ac1eaa7ca0	FastFloat, again	2026-03-23 17:44:24 +01:00
Maarten L. Hekkelman	1d615eeff1	fast float for macOS (and FreeBSD?)	2026-03-23 17:36:35 +01:00
Maarten L. Hekkelman	d936b67e89	Fix for fastfloat, does not need linking	2026-03-23 16:38:31 +01:00
Maarten L. Hekkelman	5ec523a7c9	fix for missing from_chars on FreeBSD	2026-03-23 16:37:33 +01:00
Maarten L. Hekkelman	3fd8d1f507	Passing optional	2026-03-23 16:05:45 +01:00
Maarten L. Hekkelman	1a7fffd561	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-03-23 13:56:00 +01:00
Maarten L. Hekkelman	95ea353c4e	Better constructors allowing easier emplacement of new items in e.g. a category ... Fix reconstruction of pdbx_poly_seq_scheme	2026-03-23 13:55:17 +01:00
Maarten L. Hekkelman	1e39c43cd2	Fix for removal of operator bool	2026-03-17 13:30:29 +01:00
Maarten L. Hekkelman	cb109bacc4	remove operator bool for item's. The result is too ambiguous.	2026-03-17 13:22:21 +01:00
Maarten L. Hekkelman	8e802331c9	Fix row_initializser, missing 'empty' data using wrong test	2026-03-17 13:17:41 +01:00
Maarten L. Hekkelman	eabcf437cd	Add some more tests for I/O	2026-03-17 13:17:02 +01:00
Maarten L. Hekkelman	03e5a05238	Last change to create_water was not good	2026-03-17 13:16:31 +01:00
Maarten L. Hekkelman	ebdd556729	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-03-17 11:53:03 +01:00
Maarten L. Hekkelman	5860c83306	swap item_handle	2026-03-17 11:52:50 +01:00
Maarten L. Hekkelman	bb6410260e	fix adding waters, keep auth_seq_id	2026-03-11 16:17:13 +01:00
Maarten L. Hekkelman	3a8527e26d	fix regression in output	2026-03-11 16:16:46 +01:00
Maarten L. Hekkelman	3976d9edb6	add transposed matrix	2026-03-05 17:52:06 +01:00
Maarten L. Hekkelman	2df904899d	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-03-04 20:28:12 +01:00
Maarten L. Hekkelman	6eb8857877	Fix matrix multiplication	2026-03-04 20:28:04 +01:00
Maarten L. Hekkelman	2f3a755ebd	Better model, now include micro heterogeneity	2026-03-04 11:20:38 +01:00
Maarten L. Hekkelman	9c4256b0f0	Removed kPI, replaced with std::numbers::pi	2026-03-03 10:46:16 +01:00
Maarten L. Hekkelman	fdc3972ec0	Fix makefile for examples	2026-03-02 11:27:41 +01:00