628 Commits

Author	SHA1	Message	Date
Maarten L. Hekkelman	dc03cb6a70	Changed handling of numbers witth a leading plus character	2026-04-22 11:36:13 +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	a804f6d107	Merge branch 'develop' into trunk	2026-03-24 08:22:55 +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	cb109bacc4	remove operator bool for item's. The result is too ambiguous.	2026-03-17 13:22:21 +01:00
Maarten L. Hekkelman	5860c83306	swap item_handle	2026-03-17 11:52:50 +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	926b8c1069	Fix generating documentation	2026-03-02 09:14:15 +01:00
Maarten L. Hekkelman	d5fbf05b44	documenting	2026-02-25 17:16:09 +01:00
Maarten L. Hekkelman	3721922174	Remove last warnings	2026-02-25 15:11:17 +01:00
Maarten L. Hekkelman	c3e1c46b63	using enum and more	2026-02-21 14:12:13 +01:00
Maarten L. Hekkelman	5670417f12	using std::nullopt	2026-02-19 21:54:24 +01:00
Maarten L. Hekkelman	da7cb8741b	Add operator<< to item_handle	2026-02-18 19:30:09 +01:00
Maarten L. Hekkelman	f2a28ed2d0	Better refactoring this time	2026-02-18 19:13:06 +01:00
Maarten L. Hekkelman	c91a9ff509	Revert "Refactoring again" ... This reverts commit 64edb4ddfd.	2026-02-18 17:28:54 +01:00
Maarten L. Hekkelman	64edb4ddfd	Refactoring again	2026-02-18 16:34:19 +01:00
Maarten L. Hekkelman	8bf4399181	change path of main include file	2026-02-18 15:10:12 +01:00
Maarten L. Hekkelman	b7680dcb92	More cleaning up	2026-02-17 13:50:08 +01:00
Maarten L. Hekkelman	845b549128	fix parser for float like strings	2026-02-16 09:48:34 +01:00
Maarten L. Hekkelman	b019ba9b91	ouch...	2026-02-14 11:31:26 +01:00
Maarten L. Hekkelman	7a49d064a1	Added forward declaration of file	2026-02-14 10:56:09 +01:00
Maarten L. Hekkelman	2a0e52dff6	IWYU	2026-02-13 20:05:36 +01:00
Maarten L. Hekkelman	0fe1178bdd	why was this included?	2026-02-13 19:04:47 +01:00
Maarten L. Hekkelman	2f11d6d642	All tests pass	2026-02-13 16:26:38 +01:00
Maarten L. Hekkelman	a46a31ac52	first merge	2026-02-13 13:53:45 +01:00
Maarten L. Hekkelman	5ad38b4e9c	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-02-07 15:25:39 +01:00
Maarten L. Hekkelman	702323d83a	a specialisation for find1 with parameter std::optional	2026-02-07 15:25:20 +01:00
Maarten L. Hekkelman	721857629e	Reconstruction optimised	2026-02-04 11:58:49 +01:00
Maarten L. Hekkelman	1c8571f02c	category is now a valid std::ranges::input_range	2026-01-28 16:42:52 +01:00
Maarten L. Hekkelman	a539603c4f	iwyu acting up again	2026-01-27 09:24:46 +01:00
Maarten L. Hekkelman	0dc4a34071	New progress bar	2026-01-26 17:43:21 +01:00
Maarten L. Hekkelman	b969df1194	Fixed pdb.hpp header file, contained a wrong signature	2026-01-23 13:12:14 +01:00
Maarten L. Hekkelman	2ef82c794e	Silence some more windows warnings	2026-01-13 09:55:03 +01:00
Maarten L. Hekkelman	e157eb7700	fixed swap	2026-01-13 09:41:39 +01:00
Maarten L. Hekkelman	a079543594	residue copy constructor and the like	2026-01-13 09:28:00 +01:00
Maarten L. Hekkelman	9f3a0b5c4c	cleaning up mostly done now	2026-01-13 08:59:40 +01:00
Maarten L. Hekkelman	03342caf13	cleaning up code	2026-01-08 08:26:48 +01:00
Maarten L. Hekkelman	1e5050b221	clean up bugprone and cert warnings	2026-01-05 16:00:59 +01:00
Maarten L. Hekkelman	b34eb21d96	Modernizing code	2026-01-05 15:21:36 +01:00
Maarten L. Hekkelman	656c82838a	macOS and Windows fixes, ... start using clang-tidy	2026-01-05 12:59:59 +01:00
Maarten L. Hekkelman	7ac0717944	Merge branch 'using-sqlite-for-delete' into develop	2026-01-05 10:55:33 +01:00
Maarten L. Hekkelman	f190bdfd64	embedded and patched sqlite no longer needed	2026-01-05 10:55:03 +01:00
Maarten L. Hekkelman	1d430e8c47	Merge branch 'with-sqlite' into develop	2026-01-05 08:31:32 +01:00