565 Commits

Author	SHA1	Message	Date
Maarten L. Hekkelman	0da03af25f	Fix condition for testing null	2026-02-13 13:17:20 +01:00
Maarten L. Hekkelman	24386adfd6	Fix conditions and a memory leak	2026-02-13 10:35:10 +01:00
Maarten L. Hekkelman	79674aef8f	Assertions added	2026-02-13 09:34:40 +01:00
Maarten L. Hekkelman	6348f59f15	three tests passing	2026-02-12 20:12:50 +01:00
Maarten L. Hekkelman	276ce57d5e	model-test passing	2026-02-12 19:56:05 +01:00
Maarten L. Hekkelman	cb81411d72	more work	2026-02-12 16:35:10 +01:00
Maarten L. Hekkelman	341b248175	There's still a lot of work to do	2026-02-12 10:58:08 +01:00
Maarten L. Hekkelman	25e167cfd3	no updateLinked when parsing	2026-02-12 08:44:07 +01:00
Maarten L. Hekkelman	83a2def09c	Remove boolean as basic type	2026-02-11 16:41:13 +01:00
Maarten L. Hekkelman	a6a27aaf00	Some cleaning up	2026-02-11 16:18:14 +01:00
Maarten L. Hekkelman	81c02d1f77	unit-test-2 passes	2026-02-11 15:27:26 +01:00
Maarten L. Hekkelman	ce21d26705	Compiling...	2026-02-11 10:22:12 +01:00
Maarten L. Hekkelman	25a73d288d	backup	2026-02-10 16:53:18 +01:00
Maarten L. Hekkelman	abc61afe7d	some merging	2026-02-10 10:00:51 +01:00
Maarten L. Hekkelman	a0f4eada6f	a start	2026-02-04 16:39:39 +01:00
Maarten L. Hekkelman	64e6b3cd2d	pfft	2025-12-27 13:37:21 +01:00
Maarten L. Hekkelman	f94e9aece9	create_non_poly, another	2025-11-05 11:03:56 +01:00
Maarten L. Hekkelman	4e128885d6	Added missing include	2025-10-29 18:21:47 +01:00
Maarten L. Hekkelman	b37054228d	Added smalles sphere function	2025-10-29 17:09:13 +01:00
Maarten L. Hekkelman	815b33fee0	Matrix determinant for 4x4	2025-10-28 15:55:05 +01:00
Maarten L. Hekkelman	89de73eb6f	Added exists to compound_factory	2025-10-21 13:06:09 +02:00
Maarten L. Hekkelman	75f2ec3792	Remove warning	2025-10-13 14:22:57 +02:00
Maarten L. Hekkelman	10a6b5649b	Using fast float instead of home baked version	2025-10-01 16:14:07 +02:00
Maarten L. Hekkelman	5f21a094c0	added flush to progress bar	2025-09-24 10:14:03 +02:00
Maarten L. Hekkelman	bd1fb5c5cd	Added model::create_link	2025-09-16 13:29:51 +02:00
Maarten L. Hekkelman	0fa3d6aa94	Removing warning using MSVC	2025-09-02 12:54:07 +02:00
Maarten L. Hekkelman	fa8285fc0f	use std::format anyway, even if __cpp_lib_format is not defined.	2025-09-02 10:23:00 +02:00
Maarten L. Hekkelman	2e7f6b8337	cross platform check for lib format	2025-09-02 10:03:36 +02:00
Maarten L. Hekkelman	0e84ea454d	fmt fix	2025-09-01 10:53:29 +02:00
Maarten L. Hekkelman	2aa439d51f	test for fmt	2025-08-28 08:48:20 +02:00
Maarten L. Hekkelman	e56b568c42	use cif::format... sigh	2025-08-27 15:46:41 +02:00
Maarten L. Hekkelman	cb02969604	Using std::format	2025-08-25 16:31:00 +02:00
Maarten L. Hekkelman	727a39cc54	Finishing up replacing boost with pcre	2025-08-20 13:28:24 +02:00
Maarten L. Hekkelman	647c58f8ec	allow code to be built with older compilers...	2025-08-19 12:44:41 +02:00
Maarten L. Hekkelman	0b8024d19c	Optimise query processing	2025-08-19 12:24:33 +02:00
Maarten L. Hekkelman	fa869bdc7d	lightweight fixup	2025-08-13 09:01:50 +02:00
Maarten L. Hekkelman	82eae05868	changed b-factor options for structure loading	2025-06-11 14:17:50 +02:00
Maarten L. Hekkelman	e8fb53c49b	Alternate implementation of structure_open_options	2025-06-11 13:35:58 +02:00
Maarten L. Hekkelman	604c97afe1	Merge branch 'develop' into clebreto-feature/enrich_structure_options	2025-06-11 11:43:01 +02:00
Maarten L. Hekkelman	6717059934	Revert renaming compound_id to mon_id in residue	2025-06-11 09:41:49 +02:00
Maarten L. Hekkelman	81cd305c80	rename mm::polymer fields and methods to better match mmcif_pdbx naming. ... fix building mm::structure using pdb_seq_num instead of auth_seq_num	2025-06-11 09:30:54 +02:00
Maarten L. Hekkelman	ce6a75a920	right...	2025-06-10 09:11:26 +02:00
Maarten L. Hekkelman	874a5cb2f2	missing code added	2025-06-02 15:09:49 +02:00
Maarten L. Hekkelman	bcf33df701	Added strip, removed dangerous datablock::is_valid (non-const version)	2025-06-02 08:52:58 +02:00
Maarten L. Hekkelman	af319866c7	added get_atom_by_atom_id	2025-05-06 14:11:05 +02:00
Maarten L. Hekkelman	724cddb481	Merged develop manually	2025-04-09 09:20:53 +02:00
Maarten L. Hekkelman	41c0521480	Merge branch 'feature/enrich_structure_options' of github.com:clebreto/libcifpp into clebreto-feature/enrich_structure_options	2025-04-02 13:58:01 +02:00
LE BRETON Come	7d33d56c0e	Update docs	2025-03-07 15:59:19 +01:00
LE BRETON Come	f86f34e5e1	WIP Enrich StructureOpenOptions	2025-03-07 15:54:30 +01:00
Maarten L. Hekkelman	dcd812a996	Optimise text comparison routines	2025-01-29 11:39:08 +01:00