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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