relax SVN archive

Added a warning to the auto analyses about error estimation from the Co-variance.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Moved the mc_sim_num GUI element in the analysis tab ip, as it is executed first.

Also modified the tooltip.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Tried to click the "fit_r1" button in the GUI test, but receives an error.

relax --gui-tests Relax_disp.test_r2eff_err_estimate

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File "/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/api.py", line 463, in get_param_values
values.append(get_value(spins=spins, sim_index=sim_index, param_name=param_name, spin_index=si, r20_key=r20_key))
File "/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/parameters.py", line 393, in get_value
obj = getattr(spins[spin_index], param_name)
AttributeError: 'SpinContainer' object has no attribute 'r1'

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Added keyword "exp_mc_sim_num", to the auto analyses in the GUI.

This sets the number of Monte Carlo simulations for R2eff error estimation in exponential curve fitting.

When setting to -1, the errors are estimated from the Covariance Matrix.

These errors are highly likely to be wrong, but can be used in Rapid testing of data and plotting.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Added gui test Relax_disp.test_r2eff_err_estimate, to test the setting of MC Sim to -1 for exponential R2eff error estimation.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Added script, to be used in GUI test.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Added systemtest, Relax_disp.test_estimate_r2eff_err_auto and extended functionality to the auto analyses protocol.

If "exp_mc_sim_num" is set to "-1" and sent to the auto analyses, the errors of R2eff will be estimated from the Co-Variance matrix.

These errors is HIGHLY likely to be wrong, but can be used in an initial test fase, to rapidly produce data for plotting data.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Renamed systemtest, that test the user function for estimating the R2eff error:

test_estimate_r2eff_err, test the user function.
test_estimate_r2eff_err_methods, test different methods for getting the error.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Removed unnessary call to eksperimental Exp class.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.

Inserted checks for C module is available in module for estimateing R2eff error.

task #7822(https://gna.org/task/index.php?7822): Implement user function to estimate R2eff and associated errors for exponential curve fitting.