Re: r15215 - /branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py -- January 25, 2012 - 10:57

Hi Seb,

The changes look fine.  The data deletion test is not essential here
as it is checked in the other system test, but it's ok to check it
again.

Regards,

Edward



On 21 January 2012 17:02,  <sebastien.morin@xxxxxxxxx> wrote:
> Author: semor
> Date: Sat Jan 21 17:02:51 2012
> New Revision: 15215
>
> URL: http://svn.gna.org/viewcvs/relax?rev=15215&view=rev
> Log:
> Manually fix the script based on changes made during branch updating.
>
> This is as discussed by Edward d'Auvergne in a post at:
> https://mail.gna.org/public/relax-devel/2012-01/msg00001.html
> (Message-id: 
> <CAED9pY9pnJGs3oMk2DTw76xA1HoqHx0+wUD1gAdzbOAu6F87bg@xxxxxxxxxxxxxx>)
>
>
> Modified:
>    
> branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py
>
> Modified: 
> branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py?rev=15215&r1=15214&r2=15215&view=diff
> ==============================================================================
> --- 
> branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py
>  (original)
> +++ 
> branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py
>  Sat Jan 21 17:02:51 2012
> @@ -55,20 +55,27 @@
>     2.45
>  ]
>
> -# Loop over the spectra.
> -for i in xrange(len(names)):
> -    # Load the peak intensities.
> -    spectrum.read_intensities(file=names[i]+'.list', dir=data_path, 
> spectrum_id=names[i], int_method=ds.int_type)
> +# Load the data twice to test data deletion.
> +for iter in range(2):
> +    # Loop over the spectra.
> +    for i in xrange(len(names)):
> +        # Load the peak intensities.
> +        spectrum.read_intensities(file=names[i]+'.list', dir=data_path, 
> spectrum_id=names[i], int_method=ds.int_type)
>
> -    # Set the relaxation times.
> -    relax_fit.relax_time(time=times[i], spectrum_id=names[i])
> +        # Set the relaxation times.
> +        relax_fit.relax_time(time=times[i], spectrum_id=names[i])
>
> -# Specify the duplicated spectra.
> -spectrum.replicated(spectrum_ids=['T1_inv-recov_750_ms', 
> 'T1_inv-recov_750_ms_bis'])
> -spectrum.replicated(spectrum_ids=['T1_inv-recov_1950_ms', 
> 'T1_inv-recov_1950_ms_bis'])
> +    # Specify the duplicated spectra.
> +    spectrum.replicated(spectrum_ids=['T1_inv-recov_750_ms', 
> 'T1_inv-recov_750_ms_bis'])
> +    spectrum.replicated(spectrum_ids=['T1_inv-recov_1950_ms', 
> 'T1_inv-recov_1950_ms_bis'])
>
> -# Peak intensity error analysis.
> -spectrum.error_analysis()
> +    # Peak intensity error analysis.
> +    spectrum.error_analysis()
> +
> +    # Delete the data.
> +    if iter == 0:
> +        for i in range(len(names)):
> +            spectrum.delete(names[i])
>
>  # Set the relaxation curve type.
>  relax_fit.select_model('exp_3param_inv_neg')
> @@ -96,8 +103,8 @@
>  grace.write(y_data_type='chi2', file='devnull', force=True)    # Minimised 
> chi-squared value.
>  grace.write(y_data_type='i0', file='devnull', force=True)    # Initial 
> peak intensity.
>  grace.write(y_data_type='rx', file='devnull', force=True)    # Relaxation 
> rate.
> -grace.write(x_data_type='relax_times', y_data_type='int', file='devnull', 
> force=True)    # Average peak intensities.
> -grace.write(x_data_type='relax_times', y_data_type='int', norm=True, 
> file='devnull', force=True)    # Average peak intensities (normalised).
> +grace.write(x_data_type='relax_times', y_data_type='intensities', 
> file='devnull', force=True)    # Average peak intensities.
> +grace.write(x_data_type='relax_times', y_data_type='intensities', 
> norm=True, file='devnull', force=True)    # Average peak intensities 
> (normalised).
>
>  # Save the program state.
>  state.save('devnull', force=True)
>
>
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