relax SVN archive

Merged revisions 19857 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r19857 | bugman | 2013-06-04 13:50:48 +0200 (Tue, 04 Jun 2013) | 5 lines

Fix for bug #20820 (https://gna.org/bugs/?20820).

Solution found - 'software' was not mentioned in __init__.py, and failed at import.
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Fix for bug #20820 (https://gna.org/bugs/?20820).

Solution found - 'software' was not mentioned in __init__.py, and failed at import.

Added the M61 model to the relax_disp.select_model user function frontend.

This is the Meiboom 1961 model for 2-site fast exchange for R1rho-type experiments.

Added the new 'M61' model to the specific_analyses.relax_disp.variables module.

This is the Meiboom 1961 model for 2-site fast exchange for R1rho-type experiments.

Expanded the number of model list variables in specific_analyses.relax_disp.variables.

This is to include lists which are specific to CPMG-type and R1rho-type experiments.

Docstring fixes for the lib.dispersion.equations module.

Updated the relax_disp.select_model user function docstring for the R2eff error analysis.

This properly describes how the R2eff/R1rho errors are calculated for the fixed relaxation time
period experiments.

Created the lib.dispersion.equations.calc_two_point_r2eff_err() function.

This complements the lib.dispersion.equations.calc_two_point_r2eff() function and is used by the
dispersion calculate() method to abstract the mathematics.

Better checking of optimisation in the Relax_disp system tests.

This affects the Relax_disp.test_hansen_cpmg_data_LM63 and Relax_disp.test_hansen_cpmg_data_CR72
system tests. Instead of using the auto-analysis, these tests now set the initial parameters close
to the minimum, skip the grid search, and perform a low precision optimisation to reach the minimum.
This is important because the low quality grid search and optimisation can not always find the real
minimum.

Fix for the Relax_disp.test_hansen_cpmgfit_input system test.

This is for the recent CPMGFit batch file changes.