Maarten L. Hekkelman b34eb21d96 Modernizing code

2026-01-05 15:21:36 +01:00

..

reconstruct

Develop (#54)

2024-02-17 16:03:14 +01:00

1cbs-dssp.cif

Updated test file

2025-05-12 11:56:42 +02:00

1juh.cif.gz

using index in category

2022-10-03 16:22:32 +02:00

2bi3.cif.gz

symmetry operations now working correctly

2023-04-13 11:42:59 +02:00

3bwh.cif.gz

test data

2023-04-17 20:54:57 +02:00

4wvp.cif.gz

more test cases

2023-04-17 18:56:02 +02:00

brak.pdb

Fix parsing bogus PDB files (with REMARK 001)

2025-04-02 11:29:25 +02:00

CMakeLists.txt

Merge branch 'develop' into cql

2025-11-19 13:29:35 +01:00

cql-test.cpp

embedded and patched sqlite no longer needed

2026-01-05 10:55:03 +01:00

dssp-extension.dic

Merged develop manually

2025-04-09 09:20:53 +02:00

HEM.cif

Reactivated several structure methods

2022-10-03 09:32:20 +02:00

io-test.cpp

faster cif parser

2023-06-07 11:19:35 +02:00

matrix-test.cpp

Added smalles sphere function

2025-10-29 17:09:13 +01:00

model-test.cpp

Refactored validator_factory interface

2026-01-05 08:30:30 +01:00

pdb1cbs.ent.gz

Add formula_weight to entity in pdb2cif

2023-12-13 16:27:41 +01:00

query-test.cpp

re-enable tests

2025-11-19 13:28:47 +01:00

REA_v2.cif

More documentation

2023-09-13 10:22:28 +02:00

REA.cif

Use index in lookup, when available

2022-10-04 13:57:38 +02:00

reconstruction-test.cpp

use rowhandles

2025-09-09 19:52:39 +02:00

rename-compound-test.cpp

Develop (#54)

2024-02-17 16:03:14 +01:00

RXA.cif

Use index in lookup, when available

2022-10-04 13:57:38 +02:00

spinner-test.cpp

Develop (#54)

2024-02-17 16:03:14 +01:00

sugar-test.cpp

Fix query generation when using constant numeric values

2024-04-03 14:01:51 +02:00

test-main.cpp

Modernizing code

2026-01-05 15:21:36 +01:00

test-main.hpp

Update catch2 usage

2025-09-24 13:25:56 +02:00

UN_.cif

Use index in lookup, when available

2022-10-04 13:57:38 +02:00

unit-3d-test.cpp

Modernizing code

2026-01-05 15:21:36 +01:00

unit-v2-test.cpp

Modernizing code

2026-01-05 15:21:36 +01:00

validate-pdbx-test.cpp

remove duplicate test

2025-04-09 13:11:05 +02:00