r26865 - /trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py -- November 30, 2014 - 00:44

Author: bugman
Date: Sun Nov 30 00:44:35 2014
New Revision: 26865

URL: http://svn.gna.org/viewcvs/relax?rev=26865&view=rev
Log:
Ported r15215 of Sébastien Morin's inversion-recovery branch.

The command used was:
svn merge -r15214:r15215 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/inversion-recovery .

.....
  r15215 | semor | 2012-01-21 17:02:51 +0100 (Sat, 21 Jan 2012) | 7 lines
  Changed paths:
     M 
/branches/inversion-recovery/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py
  
  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:
    trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py

Modified: 
trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py?rev=26865&r1=26864&r2=26865&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py     
  (original)
+++ trunk/test_suite/system_tests/scripts/relax_fit_exp_3param_inv_neg.py     
  Sun Nov 30 00:44:35 2014
@@ -52,20 +52,27 @@
     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])
 
 # Deselect unresolved spins.
 deselect.read(file='unresolved', dir=data_path, res_num_col=1)
@@ -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)