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using-glm
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24 Commits

Author SHA1 Message Date
Maarten L. Hekkelman
3805eb3905 Compiling, but not working yet 2026-04-01 12:33:55 +02:00
Maarten L. Hekkelman
2f3a755ebd Better model, now include micro heterogeneity 2026-03-04 11:20:38 +01:00
Maarten L. Hekkelman
8bf4399181 change path of main include file 2026-02-18 15:10:12 +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
56aab89176 Refactored validator_factory interface 2026-01-05 08:30:30 +01:00
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
fffa326f80 validator for multiple dictionaries 2025-03-31 12:38:28 +02:00
Maarten L. Hekkelman
71e525cd76 Refactored dictionary loading 2025-02-17 09:40:36 +01:00
Maarten L. Hekkelman
f48c31bcb5 Proposed fix for comparing floating points (needed on macOS) (#62) 
* Proposed fix for comparing floating points (needed on macOS)

* Work around weird behaviour in testing floats using catch2

* Better from_chars implementation
 2024-09-10 11:31:59 +02:00
Maarten L. Hekkelman
588e075325 Fix query generation when using constant numeric values 
replace size_t with std::size_t to silence warnings
 2024-04-03 14:01:51 +02:00
Maarten L. Hekkelman
9c78131df3 Use Catch2 version 3 if installed 2024-02-17 15:20:11 +01:00
Maarten L. Hekkelman
7fd7dfd937 Work on WIN32 with or without CCP4 2023-11-29 13:11:13 +01:00
Maarten L. Hekkelman
09dd65499a Change testing framework to Catch2 2023-11-22 17:06:07 +01:00
Maarten L. Hekkelman
0b5d28338e replacing std::endl where appropriate 
more docs
 2023-09-12 09:06:45 +02:00
Maarten L. Hekkelman
348aa7afb6 fix test (use gTestDir) 2023-03-30 20:48:41 +02:00
Maarten L. Hekkelman
343465cef0 Added test for create_non_poly with initializers 2023-03-08 16:00:40 +01:00
Maarten L. Hekkelman
7fe9c87b6e Some small fixes for windows 2022-12-07 15:39:26 +01:00
Maarten L. Hekkelman
96a67b23ca Fix loading dictionaries 2022-11-01 09:53:36 +01:00
Maarten L. Hekkelman
adc316d671 Use index in lookup, when available 
start branch code in model::structure (not done yet)
 2022-10-04 13:57:38 +02:00
Maarten L. Hekkelman
6a0b6b99ac using index in category 2022-10-03 16:22:32 +02:00
Maarten L. Hekkelman
557a1c2d00 Reactivated several structure methods 2022-10-03 09:32:20 +02:00
Maarten L. Hekkelman
35fcc0493e Moving cif::Structure back in as model 2022-09-28 17:11:04 +02:00