relax SVN archive

Added checks to the specific_analyses.relax_disp.disp_data.return_r1_data() function.

This is to help indicate to the user when data is missing.

The dispersion specific code is now assembling the R1 data and passing it to the target function.

The new specific_analyses.relax_disp.disp_data.return_r1_data() function creates a data structure
holding all the R1 data. This is used in the off-resonance R1rho experiments.

The Relax_disp.test_r1rho_off_res_fixed_time_tp02 system test script now reads the R1 relaxation data.

This data is essential for the model optimisation.

The dispersion target function class now handles R1 relaxation data.

This data is essential for the off-resonance R1rho models.

The TP02 model R1rho off-resonance test data creation script now creates files of the R1 relaxation data.

These files are needed for the system tests, as R1 data needs to be read.

The TP02 model code is now in a semi functional state.

The lib.dispersion code has been fixed to properly handle the data it receives and the target
function code has been updated to pass in the correct data.

The dispersion specific optimisation code is now assembling chemical shift related data.

The specific_analyses.relax_disp.disp_data.return_offset_data() function has been written to return
structures for the chemical shifts, offsets, and tilt angles. These are then used by the
optimisation functions by passing them into the target function code.

Fix for the Relax_disp.test_r1rho_off_res_fixed_time_tp02 system test.

The correct spectrum ID is now used for the relax_disp.spin_lock_offset user function calls in the
script.

Added some more arguments to the dispersion target function class for off-resonance R1rho models.

This is the structure for the spin-lock offsets and the tilt angles for each spin.

Reverted r20681 as the chemical shift conversion is better performed by the specific analysis code.

The command used was:
svn merge -r20681:r20680 .

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r20681 | bugman | 2013-08-23 16:59:16 +0200 (Fri, 23 Aug 2013) | 6 lines
Changed paths:
M /branches/relax_disp/target_functions/relax_disp.py

Changed how chemical shifts are handled in the dispersion target function class.

The chemical shifts in ppm are accepted and they are converted to rad/s inside the __init__()
method. A structure for rotating frame tilt angles is now also accepted.
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