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SVN archive Commit Log


Commit Date  
[r17093] by bugman

Bug fixes for the deselect.interatom and select.interatom user functions.

The interatomic data container loops were skipping deselected containers, but these loops must be
over all containers.

2012-06-28 12:27:49 Tree
[r17092] by bugman

Some changes to the Interatomic.test_manipulation system test to better test selection/deselection.

2012-06-28 12:24:44 Tree
[r17091] by bugman

The interatomic test suite scripts are now GUI tests as well.

2012-06-28 12:22:13 Tree
[r17090] by bugman

Created the new Interatomic system test class for testing out the interatomic data containers.

2012-06-28 12:17:56 Tree
[r17089] by bugman

Reverted the CaM synthetic randomised data change of r17071, as the data randomisation shouldn't change.

The commands used were:
svn merge -r17071:r17070 synth_rdc_rand
svn merge -r17071:r17070 synth_pcs_rand

2012-06-28 10:15:51 Tree
[r17088] by bugman

Another interatomic data design fix for the N_state_model.test_pcs_to_rdc system test.

2012-06-28 10:01:03 Tree
[r17087] by bugman

Fix for the dipole_pair.unit_vectors user function - the vector averaging now occurs after the normalisation.

2012-06-28 09:59:59 Tree
[r17086] by bugman

Fix for the N_state_model.test_metal_pos_opt system test.

2012-06-28 09:33:02 Tree
[r17085] by bugman

Interatomic data design fix for the N-state model analysis _minimise_bc_data() method.

2012-06-28 09:32:14 Tree
[r17084] by bugman

Fix for the lactose N-state model system test script for the interatomic data design.

The interatomic CH2 vectors are now deselected.

2012-06-28 09:25:49 Tree
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