Commit Graph

1475 Commits

Author SHA1 Message Date
Maarten L. Hekkelman
f94e9aece9 create_non_poly, another 2025-11-05 11:03:56 +01:00
Maarten L. Hekkelman
c565bb96be Do not run the spinner test 2025-10-30 09:19:50 +01:00
Maarten L. Hekkelman
e51f31dc4c Remove libfmt, fix instantiating templates for fast_float usage 2025-10-30 09:08:44 +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
97f55c1639 Version bump 2025-10-22 10:05:55 +02:00
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
f4d29e8da9 re-enable test to see if fast_float is required 2025-10-01 17:09:06 +02:00
Maarten L. Hekkelman
b97b2638b8 More supported float types 2025-10-01 17:08:33 +02:00
Maarten L. Hekkelman
bc0222dc0e attempt two 2025-10-01 16:42:05 +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
743e2800f8 update changelog v9.0.4 2025-09-30 11:21:03 +02:00
Maarten L. Hekkelman
32ac884127 Do not stop on empty audit_conform fields 2025-09-29 10:34:29 +02:00
Maarten L. Hekkelman
bec69f7d07 Fix reconstruction when entity ID's are missing 2025-09-29 09:59:04 +02:00
Maarten L. Hekkelman
a99215ad6a version bump 2025-09-24 16:45:05 +02:00
Maarten L. Hekkelman
e3d2cbd044 Lower required catch2 version 2025-09-24 16:42:45 +02:00
Maarten L. Hekkelman
5fc965789d messages updated v9.0.3 2025-09-24 15:11:33 +02:00
Maarten L. Hekkelman
b4596902aa Add compile features for Catch2, required on Windows 2025-09-24 14:15:19 +02:00
Maarten L. Hekkelman
cbf8b52f62 Update catch2 usage 2025-09-24 13:25:56 +02:00
Maarten L. Hekkelman
4e0fa1c916 No complete jthread on macOS/CLang 2025-09-24 13:00:50 +02:00
Maarten L. Hekkelman
95b007d38f Merge branch 'trunk' into develop 2025-09-24 11:38:01 +02:00
Maarten L. Hekkelman
b66f7a30ce Progress bar using WriteConsole on Windows 2025-09-24 11:36:37 +02:00
Maarten L. Hekkelman
ec7287c503 remove warning 2025-09-24 11:32:12 +02:00
Maarten L. Hekkelman
a41c591f0c Restore order of imports, avoid reordering by clang-format 2025-09-24 10:51:53 +02:00
Maarten L. Hekkelman
3a6527cdd5 yet another update on progress bar 2025-09-24 10:23:58 +02:00
Maarten L. Hekkelman
5f21a094c0 added flush to progress bar 2025-09-24 10:14:03 +02:00
Maarten L. Hekkelman
2203a1855d improved progress bar 2025-09-24 09:49:28 +02:00
Maarten L. Hekkelman
7edd2ecc18 new progress bar 2025-09-23 15:53:55 +02:00
Maarten L. Hekkelman
1d2953c850 Fix reconstruction, version bump 2025-09-22 13:51:18 +02:00
Maarten L. Hekkelman
dbf59ce622 reconstruct better when entity ID's are missing 2025-09-22 12:59:16 +02:00
Maarten L. Hekkelman
1596db8499 Merge branch 'develop' of github.com:pdb-redo/libcifpp into develop 2025-09-16 13:29:57 +02:00
Maarten L. Hekkelman
bd1fb5c5cd Added model::create_link 2025-09-16 13:29:51 +02:00
Maarten L. Hekkelman
da500025c3 swap atoms should swap type_symbol as well 2025-09-10 17:16:22 +02:00
Maarten L. Hekkelman
60eeea9a93 more resilient loading of dictionary data 2025-09-10 15:06:06 +02:00
Maarten L. Hekkelman
1220f01f1e change location of mmcif_ma.dic 2025-09-10 14:22:52 +02:00
Maarten L. Hekkelman
ad0a34fe98 Update changelog v9.0.2 2025-09-10 12:49:43 +02:00
Maarten L. Hekkelman
a7425ff1a0 Optimise validation code 2025-09-10 12:40:01 +02:00
Maarten L. Hekkelman
1ce25f86ae better check anisotrop atoms 2025-09-10 12:19:56 +02:00
Maarten L. Hekkelman
cd93f72b96 Merge branch 'develop' into better-create-entity-ids 2025-09-10 09:28:50 +02:00
Maarten L. Hekkelman
23500bd303 Fix reconstruction of really bare files 2025-09-10 09:25:49 +02:00
Maarten L. Hekkelman
14b4753b4f test for null 2025-09-09 19:55:13 +02:00
Maarten L. Hekkelman
4c37d5db5f use rowhandles 2025-09-09 19:52:39 +02:00
Maarten L. Hekkelman
fc2c4b4172 fix map::at in reconstruct sequences 2025-09-09 10:51:31 +02:00
Maarten L. Hekkelman
3ac64de16b Version bump, update changelog v9.0.1 2025-09-03 14:55:20 +02:00
Maarten L. Hekkelman
45eecd72b0 using pkg-config, when available 2025-09-03 14:24:29 +02:00
Maarten L. Hekkelman
d1dd558cda as object lib 2025-09-03 14:00:22 +02:00
Maarten L. Hekkelman
d19e2c2196 Update pcre2s 2025-09-03 13:11:45 +02:00
Maarten L. Hekkelman
72c7aca074 revert to catch2 version 2, due to linker errors on Windows? 2025-09-03 13:04:13 +02:00