relax SVN archive

Python 3 fixes for the relaxation dispersion parameter Grace strings.

Created the Relax_disp.test_r1rho_on_res_exponential_m61 system test.

This is identical to the Relax_disp.test_r1rho_on_res_fixed_time_m61 system test except that the
full exponential curves are used rather than the 2-point fixed time approach.

Created the Relax_disp.test_r1rho_on_res_fixed_time_m61 system test.

This checks the R1rho-type experiment with a fixed relaxation time period using the 'R2eff' and
'M61' models. It uses the auto-analysis for this, and the 'r1rho_on_res' synthetic relaxation data.

Fix for the M61 model target function.

The spin-lock fields need to be used, not the CPMG frequencies.

Variable renaming in the lib.dispersion.m61 module.

The variable names are now more suited to R1rho-type data, rather than CPMG-type data.

The dispersion disassemble_param_vector() function now handles missing spectrometer information.

The loop_frq() function replaces direct looping over cdp.spectrometer_frq_count.

Better support for missing frequency information in the specific_analyses.relax_disp.disp_data module.

This is in the return_index_from_frq() function which now returns an index of 0, and in
return_r2eff_arrays() which skips calculating the frequency information.

The return_index_from_frq() now handles missing frequency information.

This is in the specific_analyses.relax_disp.disp_data module.

Reverted r19753 and r19754 - the relax_disp.r2eff_setup user function is now useless.

The command used was:
svn merge -r19754:r19752 .

Manual editing was required to fix a number of conflicts. The user function is not necessary as the
errors are now directly calculated rather than simulated using bootstrapping.

.....
r19754 | bugman | 2013-05-28 11:41:25 +0200 (Tue, 28 May 2013) | 6 lines
Changed paths:
M /branches/relax_disp/auto_analyses/relax_disp.py

The relaxation dispersion auto-analysis now handles the Bootstrapping simulations.

The bootstrap_sim_num argument can now be passed into the auto-analysis, and the run() method then
executes the relax_disp.r2eff_setup user function.


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r19753 | bugman | 2013-05-28 11:37:19 +0200 (Tue, 28 May 2013) | 6 lines
Changed paths:
M /branches/relax_disp/specific_analyses/relax_disp/__init__.py
M /branches/relax_disp/user_functions/relax_disp.py

Created the relax_disp.r2eff_setup user function.

This is required to set the number of Bootstrapping simulations to use in the calc user function.
It replaces the hardcoded variable.
.....

The dispersion specific optimisation methods can now handle missing spectrometer information.