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Commit Date  
[r27651] by bugman

Changed the default max_rotations argument value to 100,000 in the frame_order.distribute user function.

This decrease from one million is so the user function completes in a reasonable amount of time.

2015-02-16 09:30:00 Tree
[r27650] by bugman

The Frame_order.test_auto_analysis system test now sets the results file compression type to bzip2.

2015-02-16 09:26:15 Tree
[r27649] by bugman

Changed the default relax results compression type to bzip2 in the frame order auto-analysis.

This was set to no compression for speeding up some system tests, however the system tests can set
this for themselves.

2015-02-16 09:25:41 Tree
[r27648] by bugman

Speed up of the Frame_order.test_auto_analysis system test.

After the introduction of the frame_order.distribute user function into the auto-analysis, the test
was taking far too long to complete. Now the distribution arguments are set to low values to allow
the test to pass in under a minute.

2015-02-16 09:23:43 Tree
[r27647] by bugman

Improved control of the frame_order.distribute user function in the frame order auto-analysis.

The maximum number of rotations can now be set, and the argument for the total states for the
distribution has been shortened.

2015-02-16 09:19:33 Tree
[r27646] by bugman

Introduced the max_rotations argument into the frame_order.distribute user function.

This is used to prevent the user function from running forever. This happens whenever a cone
opening angle or torsion angle is zero, and hence the random sampling of the rotational space will
never find rotations within the motional distribution.

2015-02-16 09:08:49 Tree
[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
specific_analyses.frame_order.uf.distribute() function has been created as a modified copy of the
simulate() function of the same module. This simply performs checks and assembles the data, passing
into the new lib.frame_order.simulate.uniform_distribution() function, which itself is a modified
copy of the brownian() function in the same module.

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
available to the user in all results directories (excluding the intermediate results for speed).

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
compressed, and gzip compressed).

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
similar.

2015-02-14 09:54:43 Tree
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