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Commit Date  
[r25801] by tlinnet

Fix for a bug introduced in the auto analysis of relax_fit.

A variable was called, before it was set.

2014-09-12 14:56:11 Tree
[r25800] by tlinnet

Improved the plotting of correlation plot for intensity. Now the intensity to error is plotted, which is the correct measure of this data.

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

2014-09-12 14:56:02 Tree
[r25799] by bugman

Fix for the model argument for the frame_order.pdb_model user function.

The deletion of structural models for the Monte Carlo simulations in the average domain position
representation now only happen if more than one model exists.

2014-09-12 14:55:53 Tree
[r25798] by bugman

Fix for the specific_analyses.frame_order.data.pivot_fixed() function.

This was recently introduced (r25763) when the check for PCS data was removed from this function.
To fix the problem, instead of calling base_data_types() to see if PCS data is present, the
cdp.pcs_ids data structure is checked instead.

2014-09-12 14:50:28 Tree
[r25797] by bugman

Modified the frame order auto-analysis to be more fail-safe.

Almost all of the protocol is now within a try-finally block so that the execution lock will always
be released.

2014-09-12 14:06:38 Tree
[r25796] by bugman

Reverted r25767 as this was rubbish, the frame_order.pivot user function updates the model itself.

The command used was:
svn merge -r25767:r25766 .

.....
r25767 | bugman | 2014-09-12 10:08:13 +0200 (Fri, 12 Sep 2014) | 6 lines
Changed paths:
M /branches/frame_order_cleanup/specific_analyses/frame_order/uf.py

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 13:59:00 Tree
[r25795] by bugman

The frame_order.pdb_model user function can now properly handle a failed pivot optimisation.

This is when the pivot point optimises to a coordinate outside of the PDB limits.

Now all calls to specific_analyses.frame_order.data.generate_pivot() from the module
specific_analyses.frame_order.geometric set the pdb_limit flag to True. This allows all
representation objects to be within the PDB limits. The algorithm in generate_pivot() has been
extended to allow higher positive values, as the real PDB limits are [-999.999, 9999.999]. And a
RelaxWarning is called when the pivot is outside to tell the user about it.

2014-09-12 13:45:45 Tree
[r25794] by bugman

Created the Frame_order.test_frame_order_pdb_model_failed_pivot system test.

This simply shows how the frame_order.pdb_model user function currently fails if the optimised pivot
point is outside of the PDB coordinate limits of "%8.3f".

2014-09-12 13:30:26 Tree
[r25793] by bugman

Removed the estimate_rx_err module from the specific_analyses.relax_fit.__all__ list.

This module was deleted after merger into the api module.

2014-09-12 13:23:11 Tree
[r25792] by bugman

Modified the frame order sim_init_values() API method to handle missing optimisation data.

The monte_carlo.initial_values user function was failing if optimisation had not been performed.
This is now caught and handled correctly.

2014-09-12 13:20:32 Tree
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