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Commit Date  
[r25775] by tlinnet

Implemented back-end function to estimate Rx and I0 errors from Jacobian matrix.

This is to prepare for user funcion in relax_fit, to estimate errors.

2014-09-12 09:25:50 Tree
[r25774] by bugman

Expanded the checking in the Structure.test_delete_model system test.

Now a number of structural model loading and deletion scenarios are tested.

2014-09-12 09:25:02 Tree
[r25773] by bugman

The model argument in the structure.delete user function is now operational.

In the internal object, it has two functions. When the atom_id argument is none, then new
ModelList.delete_model() function is being called to remove the entire model from the list of
structural models. When the atom_id argument is supplied, then only the corresponding atoms in the
given model will be deleted.

2014-09-12 09:22:42 Tree
[r25772] by bugman

Introduction of the model argument to the structure.delete user function.

This argument is passed all the way into the internal structural object, but is not used yet.

2014-09-12 08:58:26 Tree
[r25771] by bugman

Expanded the wiki instructions in the release checklist document.

This includes a number of steps for significantly improving the release notes: External links to
the Gna! trackers with full descriptions, external links to the HTML user manual for all user
functions, internal links to release notes of other relax versions, internal links to wiki pages for
all models from all theories, and HTML formatting of all symbols/parameters/etc.

2014-09-12 08:57:45 Tree
[r25770] by bugman

Created the Structure.test_delete_model system test.

This is in preparation for extending the structure.delete user function to be able to delete
individual structural models. The test will only pass once this functionality is in place.

2014-09-12 08:45:48 Tree
[r25769] by bugman

Added Monte Carlo simulations to the Frame_order.test_frame_order_pdb_model_ensemble system test.

This is only setting up Monte Carlo simulation data structures via the monte_carlo.setup user
function. This demonstrates a failure of the frame_order.pdb_model user function when an ensemble
of structures is present with Monte Carlo simulations.

2014-09-12 08:14:16 Tree
[r25768] by bugman

Modified the Frame_order.test_frame_order_pdb_model_ensemble system test so it is set up correctly.

The pivot point and moving domain are now specified.

2014-09-12 08:12:00 Tree
[r25767] by bugman

Added a call to check_pivot() to the frame_order.select_model user function.

This is to prevent this user function from being called before the pivot has been set, as otherwise
the parameter vector will be incorrectly set up.

2014-09-12 08:08:13 Tree
[r25766] by bugman

The frame order generate_pivot() function can now handle no pivot being present.

At the start of this specific_analyses.frame_order.data module function, the check_pivot() function
is being called to make sure that a pivot is present.

2014-09-12 07:58:37 Tree
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