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SVN archive Commit Log


Commit Date  
[r14839] by bugman

Bug fix for the setup of the N-state model target function.

This is triggered by missing data.

2011-10-12 13:40:08 Tree
[r14838] by bugman

Created the test_metal_pos_opt() N-state model system test.

Specific RDC and PCS data for this test has also been generated.

2011-10-12 13:32:46 Tree
[r14837] by bugman

Created a system test script for checking one type of algorithm for Ln3+ position optimisation.

2011-10-12 13:18:25 Tree
[r14836] by bugman

Another fix for a recent bug in _minimise_bc_data().

2011-10-12 12:57:13 Tree
[r14835] by bugman

Fix for the N-state model _minimise_bc_data() method for when no alignments are present.

This fixes a recently introduced problem.

2011-10-12 12:46:14 Tree
[r14834] by bugman

Fix for the storing of the N-state model back-calculated RDC and PCS data.

2011-10-12 12:35:47 Tree
[r14833] by bugman

The RDC and PCS Q factors for each alignment is now stored as a dictionary in the relax data store.

2011-10-12 12:21:02 Tree
[r14832] by bugman

Fix for a divide by zero error in the PCS Q factor function.

2011-10-12 12:06:31 Tree
[r14831] by bugman

The RDC and PCS Q factor functions are now more robust when data is missing.

The data checks are now more extensive.

2011-10-12 12:00:19 Tree
[r14830] by bugman

Fixes for the N-state model optimisation for when a subset of tensors are fixed.

The RDC and PCS data was incorrectly assembled.

2011-10-12 11:54:33 Tree
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