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SVN archive Commit Log


Commit Date  
[r25764] by bugman

Modified the frame order check_pivot() function to operate on any data pipe.

The function now accepts the pipe_name argument so that checks can happen on any data pipe.

2014-09-12 07:54:31 Tree
[r25763] by bugman

Simplified the operation of the frame_order.select_model user function.

This is by removing the check of PCS data from the specific_analyses.frame_order.data.pivot_fixed()
function using the base_data_types() function call. This allows the model to be set up more easily.

2014-09-12 07:49:37 Tree
[r25762] by bugman

Added printouts to the specific_analyses.frame_order.parameters.update_model() function.

This is to make it easier to understand why certain things fail due to the system not being fully
set up.

2014-09-12 07:45:00 Tree
[r25761] by bugman

Created an initial Frame_order.test_frame_order_pdb_model_ensemble system test.

This is to check the operation of the frame_order.pdb_model user function when an ensemble of
structures is encountered. However as this uses a very minimal number of user functions to set up
the system, a number of other minor bugs will probably be uncovered.

2014-09-12 07:35:32 Tree
[r25760] by bugman

Created set of files for the axis permutation of the torsionless isotopic cone frame order model.

2014-09-11 19:56:47 Tree
[r25759] by tlinnet

Implemented the writing out of a "grace2images.py" script file, when performing auto analysis of exponential fits.

2014-09-11 19:31:48 Tree
[r25758] by tlinnet

Implemented a method to automatically find dublicates of spectrum in exponential fit.

This is to ease the user intervention for error analysis, if this has been forgotten.

2014-09-11 19:31:46 Tree
[r25757] by tlinnet

In the systemtest Relax_fit.test_curve_fitting_height_estimate_error(), moved the auto-detection of replicated spectra
into the manual method.

This is to prepare for auto-mated detection of replicates.

2014-09-11 19:31:45 Tree
[r25756] by tlinnet

In the auto analysis of exponential fitting, changed the minimisation method from simplex to newton, to speed-up the fitting.

This is for master Monte-Carlo simulations.

2014-09-11 19:31:43 Tree
[r25755] by tlinnet

Added systemtest Relax_fit.test_curve_fitting_height_estimate_error() for the manual and automated analysis of exponential fit.

This is to prepare for new methods in the auto analysis protocol.

2014-09-11 19:31:38 Tree
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