Commit | Date | |
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[r25956]
by
bugman
Created the specific_analyses.frame_order.geometric.generate_axis_system() function. This is now used by most parts of the frame order analysis to generate the full 3D eigenframe of the |
2014-09-22 13:08:06 | Tree |
[r25955]
by
bugman
Changed the default PDB file name for the frame_order.simulate user function to 'simulate.pdb'. The '*.bz2' extension has been dropped so that the file is quicker to create and does not need to be |
2014-09-22 11:52:54 | Tree |
[r25954]
by
bugman
Improvements for the frame_order.simulate user function. The rigid model is now skipped, the PDB file closed, and some printouts for better user feedback |
2014-09-22 11:50:37 | Tree |
[r25953]
by
bugman
Implemented the shifting to the average position for the frame_order.simulate user function backend. This simply sends the structural object into the new average_position() function of the |
2014-09-22 10:28:49 | Tree |
[r25952]
by
bugman
Spun out the code for shifting to the average frame order position into a new function. The old code of the create_ave_pos() of the specific_analyses.frame_order.geometric module has been |
2014-09-22 10:26:32 | Tree |
[r25951]
by
bugman
Huge speed up for the Frame_order.test_auto_analysis user function. The pseudo-Brownian dynamics simulation via the frame_order.simulate user function has been |
2014-09-22 10:21:31 | Tree |
[r25950]
by
bugman
Added new arguments to the frame order auto-analysis for the frame_order.simulate user function. These are the brownian_step_size, brownian_snapshot and brownian_total arguments which are passed |
2014-09-22 10:19:36 | Tree |
[r25949]
by
bugman
Decreased the time required for the Frame_order.test_cam_* system tests. The frame_order.simulate user function now only creates a total of 20 snapshots rather than 1000. |
2014-09-22 10:04:58 | Tree |
[r25948]
by
bugman
Created the backend framework for the frame_order.simulate user function. The backend specific_analyses.frame_order.uf.simulate() function performs all data checks required, All this data is then passed into the new lib.frame_order.simulation.brownian() function. This The old specific_analyses.frame_order.geometric.create_distribution() stub function has been |
2014-09-22 09:52:24 | Tree |
[r25947]
by
bugman
Created a basic text based progress meter in the new lib.text.progress module. This is taken from the script test_suite/shared_data/frame_order/cam/generate_base.py. |
2014-09-22 09:15:17 | Tree |