Commit | Date | |
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[r27645]
by
bugman
Implemented the back-end of the frame_order.distribute user function. This follows the design of the pseudo-Brownian simulation frame_order.simulate user function. The |
2015-02-16 08:58:08 | Tree |
[r27644]
by
bugman
Added the frame_order.distribute user function to the auto-analysis results output. This will allow both the pseudo-Brownian simulation and uniform distribution PDB files to be |
2015-02-14 10:22:17 | Tree |
[r27643]
by
bugman
Small modification of the frame_order.simulate user function. The GUI file opening dialog wildcard selectors are now set to all PDB file types (plain text, bzip2 |
2015-02-14 09:56:30 | Tree |
[r27642]
by
bugman
Created the front-end of the frame_order.distribute user function. This is a copy and modification of the frame_order.simulate user function, as the concepts are |
2015-02-14 09:54:43 | Tree |
[r27641]
by
bugman
Created a large set of system tests for implementing the frame_order.distribute user function. This user function will be similar to frame_order.simulate. However instead of creating a PDB file The new system tests are: Frame_order.test_distribute_double_rotor_mode1_xz_plane_tilt These are aliases for the equivalent Frame_order.test_simulate_* system tests which have had the |
2015-02-14 09:38:26 | Tree |
[r27640]
by
bugman
Merged revisions 27635-27639 via svnmerge from ........ |
2015-02-13 17:21:48 | Tree |
[r27639]
by
bugman
Converted the structure.mean user function to the new pipe/model/molecule/atom_id design. This allows the average structure calculation to work on atomic coordinates from different data To allow for the averaged structural data to be stored, the internal structural object method |
2015-02-13 16:45:08 | Tree |
[r27638]
by
bugman
Expanded the checking in all the Structure.test_mean* system tests to cover all atomic information. This includes the Structure.test_mean, Structure.test_mean_models, and Structure.test_mean_molecules |
2015-02-13 16:33:19 | Tree |
[r27637]
by
bugman
Fix for the structure.mean user function call in the Structure.test_mean_models system test. |
2015-02-13 16:06:35 | Tree |
2015-02-13 16:05:57 | Tree |