1619 Commits

This Branch

This Branch

All Branches

Author	SHA1	Message	Date
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
Maarten L. Hekkelman	a322d2efb8	Update documentation, add more license and copyright info	2026-03-02 11:20:59 +01:00
Maarten L. Hekkelman	926b8c1069	Fix generating documentation	2026-03-02 09:14:15 +01:00
Maarten L. Hekkelman	1e1a5b4cc8	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-03-02 07:30:52 +01:00
Maarten L. Hekkelman	3e220e69a7	macOS is behind, again	2026-02-26 10:54:37 +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	3d7b732090	use ranges for iota	2026-02-25 11:17:15 +01:00
Maarten L. Hekkelman	ea890b3942	Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop	2026-02-24 21:15:55 +01:00
Maarten L. Hekkelman	92c335499d	fix writing PDB file	2026-02-24 21:15:45 +01:00
Maarten L. Hekkelman	96f0ae694c	Avoid some string copies	2026-02-21 14:25:13 +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	889de19cd0	Fix for incorrect type	2026-02-17 16:37:01 +01:00
Maarten L. Hekkelman	b7680dcb92	More cleaning up v10.0.0	2026-02-17 13:50:08 +01:00
Maarten L. Hekkelman	43999dfade	fixes, cartn's and type of ndb_seq_num	2026-02-16 13:05:00 +01:00