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59 Commits

Author SHA1 Message Date
Jarrett Johnson
33c5c7c36a Support CIF structure factors to Density Map (#455) 2025-05-13 01:10:54 -04:00
ye11owSub
17c6cbd96d Fix ci pipeline for python3.9 and python3.13 (#435) 2025-04-05 12:47:18 -04:00
Jarrett Johnson
c5e32bdb73 update CI 2025-01-04 19:43:14 -05:00
Thomas Holder
9dcb2091cd Support running all tests with pytest, make --no-mmlibs --no-undo the default (#333) 
* Support running all tests with pytest

* Make --no-mmlibs --no-undo the default

These tests seem unsupported by modern PyMOL versions (like 2.5.6), see
https://github.com/schrodinger/pymol-testing/issues/9

Add `--with-mmlibs` and `--with-undo` options to enable these tests.

* Require PyMOL 2.6 for testLoadPLY
 2024-01-31 03:10:03 -05:00
Thomas Holder
6c0da3bd59 MMTF loader HETATM test (#8) 
See https://github.com/schrodinger/pymol-open-source/issues/295
 2023-07-20 13:22:36 -04:00
Jarrett Johnson
45e8f366ff Fix testLoadPLY test 2023-07-20 12:28:33 -04:00
Thomas Holder
b160c5861c Don't use a hard-coded port for testLoadPWG (#7) 2023-05-19 12:51:33 -04:00
Jarrett Johnson
4945cad8fb undo tests with pytest 2023-04-14 14:30:28 -04:00
Thomas Holder
26ba57517f load_traj state=1 default (PYMOL-3620) 2021-03-09 13:34:55 +01:00
Thomas Holder
9b04a10fcb load_raw dx support 2021-02-16 14:38:00 +01:00
Thomas Holder
0bbebdd733 PYMOL-968 More tests for cmd.load() 2021-01-14 12:49:34 +01:00
Thomas Holder
600a1fd8c1 testLoadPWG requires network 2020-12-03 18:33:27 +01:00
Jarrett Johnson
e2308970b9 remove undo2/redo2 from tests 2020-10-21 13:46:25 -04:00
Thomas Holder
81e7fd60d7 Move MAE tests to load_mae.py 2020-10-16 08:52:18 +02:00
Thomas Holder
a238a7137a test load_raw fallback 2020-10-01 18:04:05 +02:00
Thomas Holder
15fd63e1e5 CIF error handling test (PYMOL-3501) 2020-07-28 13:45:25 +02:00
Thomas Holder
df65608c2b Fix some tests for older PyMOL versions 2020-07-02 09:18:30 +02:00
Thomas Holder
17e1679b42 assign_atom_types, finish_object, space, get_session 2020-06-18 13:01:15 +02:00
Thomas Holder
00f1a207e0 Test for PYMOL-3470 2020-06-02 10:18:04 +02:00
Jarrett Johnson
456683b782 undo load_traj test 2020-04-21 01:47:13 -04:00
Jarrett Johnson
030056d4ba undo load_raw test 2020-04-15 23:48:16 -04:00
Thomas Holder
c8c296f077 PWG "header add" test 2019-12-17 08:44:39 +01:00
Thomas Holder
155e6ee4b1 load_traj selection argument 2019-12-03 12:08:37 +01:00
Thomas Holder
9bbcb29c84 test for _chem_comp_atom.alt_atom_id 2019-11-20 20:44:03 +01:00
Thomas Holder
7b66f590b9 tests for 2.3.3 2019-08-21 11:06:58 +02:00
Thomas Holder
181fe213e0 binary load_raw test 2019-08-19 22:38:15 +02:00
Thomas Holder
49a2e89a69 PYMOL-3153 testLoadMaeUserLabel 2018-10-25 11:39:27 +02:00
Thomas Holder
ce22c58374 testLoadMae: requires incentive 2018-09-25 12:12:22 +02:00
Thomas Holder
17ce7adfc6 PYMOL-3127 testLoadMae(multiplex, discrete) 2018-09-21 14:58:19 +02:00
Thomas Holder
609d2571d1 fix testFetchLocal 2018-06-29 16:37:55 +02:00
Thomas Holder
1a460f8379 PYMOL-3064 PQR format variants 2018-06-07 16:04:33 +02:00
Thomas Holder
d45bdd015d dx maps 2018-02-12 13:46:50 +01:00
Thomas Holder
a9505b3166 2.1 2018-01-26 19:27:38 +01:00
Thomas Holder
b4509fd31f chem_comp_cartn_use 2018-01-05 16:22:16 +01:00
Thomas Holder
7564e6d953 testLoadPWG 2017-10-02 11:59:53 +02:00
Thomas Holder
cdc76c6739 MMTF major version rejection test 2017-02-21 11:59:14 -05:00
Thomas Holder
7c875a6ddb empty MMTF files 2017-02-21 10:14:06 -05:00
Thomas Holder
66ebab908a pdb_header property test 2016-11-11 16:57:51 -05:00
Thomas Holder
9f9c16c8a8 msms surface (vert/face) via molfile plugin 2016-11-04 19:02:27 -04:00
Thomas Holder
92bc2110f4 load_raw 2016-11-04 11:45:22 -04:00
Thomas Holder
a28d73da89 CHARMM cor/cdr loading test SUPPORT-78892 2016-10-31 14:53:54 -04:00
Thomas Holder
62f40802a2 mmtf load test 2016-10-11 15:26:21 -04:00
Thomas Holder
869384f5b5 set_discrete, load ply 2016-08-16 13:40:26 -04:00
Thomas Holder
0d9b29dc46 testLoadEmbedded 2016-07-13 16:45:32 -04:00
Thomas Holder
14dd9d71ca PYMOL-1840 SDF/MOL V3000 import support 2016-06-08 14:56:00 -04:00
Thomas Holder
80f426f959 make tests Python3 compatible 2015-12-03 09:19:20 -05:00
Thomas Holder
7f431604dc pdbml test symmetry 2015-09-27 12:21:13 -04:00
Thomas Holder
6d4e128f65 pdbml, pdbqt, cml tests 2015-09-25 17:14:25 -04:00
Thomas Holder
1162c8529e fetch type=pdb to support new "type=cif" default 2015-06-05 17:41:13 -04:00
Thomas Holder
53e499ef72 testing.requires_version('1.7.5') for some new tests 2015-04-30 18:40:24 -04:00