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Commit Date  
[r26040] by bugman

Fix for the frame order specific API calculate() method.

This was caught by the Frame_order.test_opendx_map system test. The scaling matrix was not being
specified by the dx.map user function backend and this was causing the method to fail. Instead of
passing the non-existent scaling matrix into the target function, the argument is simply ignored.
The scaling matrix has no effect on the minimise.calculate user function so it is not necessary.

2014-09-25 11:26:16 Tree
[r26039] by bugman

Upgraded the Frame_order.test_opendx_map system test.

To upgrade from the ancient design to the current design so that the test is functional and
relevant, this now uses the same setup as the Frame_order.test_cam_qr_int_rigid user function.
Instead of performing optimisation, the test calls the dx.map user function.

2014-09-25 11:19:59 Tree
[r26038] by bugman

Renamed the Frame_order.fixme_test_opendx_map system test to Frame_order.test_opendx_map to activate it.

2014-09-25 10:09:56 Tree
[r26037] by bugman

Updated the test_suite.system_tests.scripts.frame_order package __all__ list.

2014-09-25 09:49:34 Tree
[r26036] by bugman

Elimination of most of the Frame_order.fixme_test_* system tests and associated data.

These tests are from a very early stage of the development of the frame order theory back when the
base data was the full and reduced alignment tensors for the each domain calculated from the RDC
data. They do not fit into the current analysis where the base data is the RDCs and PCSs for the
moving domain. There is no point upgrading the tests as it will be far too much effort and it will
only duplicate the coverage of the Frame_order.test_cam_* system tests.

2014-09-25 09:49:05 Tree
[r26035] by bugman

Expanded the frame order auto-analysis documentation.

This adds a description for the summarise() and count_sobol_points() functions.

2014-09-25 09:26:31 Tree
[r26034] by bugman

Fixes for the auto_analyses.frame_order.summerise() function.

If the count_sobol_points() function is called followed by summerise(), a RelaxError will be raised
as the data pipe already exists. The summerise() function has been modified to switch to the data
pipe if it already exists.

2014-09-25 09:20:25 Tree
[r26033] by bugman

The frame order auto-analysis now calls the count_sobol_points() function at the end.

This is to automatically create the Sobol' point summary table.

2014-09-25 09:16:29 Tree
[r26032] by bugman

Incorporated the contents of count_sobol_points.py into the frame order auto-analysis module.

The analysis script has been converted into the count_sobol_points() function which will generate a
summary table of the number of quasi-random Sobol' points used for the PCS numerical integration.

2014-09-25 09:14:31 Tree
[r26031] by bugman

The summarise() function call is now after saving the final state in the frame order auto-analysis.

This is needed because the summarise() function will create a new set of data pipes, loading the
results which already exist under a different pipe name in the relax data store. Otherwise the
final state file is twice as big as it should be.

2014-09-25 08:40:46 Tree
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