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SVN archive Commit Log


Commit Date  
[r26103] by bugman

Implemented the backend of the structure.mean user function.

This primarily occurs within the internal structural object in the new mean() method. The
pipe_control.structure.main.mean() function simply checks if the current data pipe is correctly set
up and then calls the structural object mean() method.

2014-09-30 16:08:57 Tree
[r26102] by bugman

Some fixes and additional checks for the Structure.test_mean system test.

2014-09-30 16:07:02 Tree
[r26101] by bugman

Import fix for r26099.

2014-09-30 15:32:11 Tree
[r26100] by bugman

Converted all of the pipe_control.strucuture.main functions to use the check_structure() object.

This standardises and improves all of the checks.

2014-09-30 15:31:30 Tree
[r26099] by bugman

Created the pipe_control.structure.main.check_structure() checking object.

This will be used for providing much more detailed feedback for when structural information is
missing.

2014-09-30 15:26:24 Tree
[r26098] by bugman

Fixes and simplifications for the pipe_control.pipes.check_pipe() checking object.

One of the RelaxError classes were not initialised and the docstring was incorrect.

2014-09-30 14:56:28 Tree
[r26097] by bugman

Implemented the structure.mean user function frontend.

The backend is currently just a stub function.

2014-09-30 13:50:08 Tree
[r26096] by bugman

Created the Structure.test_mean system test.

This is to test the functionality of a planned new feature, the structure.mean user function. This
is an analysis aid that will calculate the mean structure from all loaded models.

2014-09-30 13:32:36 Tree
[r26095] by tlinnet

Implemented counting of outliers for statistics.

This is to get a better feeling why some statistics are very much different between NI.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.

2014-09-30 08:41:07 Tree
[r26094] by bugman

Improvements to the summary table for the frame order auto-analysis.

The rotor and free rotor model motional eigenframe parameter axis_alpha is now being converted into
spherical angles and reported in the table. This allows the motional eigenframe of all models to be
easily compared in the table.

2014-09-30 07:49:39 Tree
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