r7954 - /branches/spectral_errors/test_suite/system_tests/scripts/relax_fit.py -- October 23, 2008 - 17:58

Author: bugman
Date: Thu Oct 23 17:58:15 2008
New Revision: 7954

URL: http://svn.gna.org/viewcvs/relax?rev=7954&view=rev
Log:
Updated the relax_fit.py system test script for the new spectrum user 
function class.


Modified:
    branches/spectral_errors/test_suite/system_tests/scripts/relax_fit.py

Modified: 
branches/spectral_errors/test_suite/system_tests/scripts/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/spectral_errors/test_suite/system_tests/scripts/relax_fit.py?rev=7954&r1=7953&r2=7954&view=diff
==============================================================================
--- branches/spectral_errors/test_suite/system_tests/scripts/relax_fit.py 
(original)
+++ branches/spectral_errors/test_suite/system_tests/scripts/relax_fit.py Thu 
Oct 23 17:58:15 2008
@@ -15,22 +15,46 @@
 # Name the spins so they can be matched to the assignments.
 spin.name(name='N')
 
-# Load the peak intensities.
-relax_fit.read(file='T2_ncyc1_ave.list', dir=data_path, relax_time=0.0176)
-relax_fit.read(file='T2_ncyc1b_ave.list', dir=data_path, relax_time=0.0176)
-relax_fit.read(file='T2_ncyc2_ave.list', dir=data_path, relax_time=0.0352)
-relax_fit.read(file='T2_ncyc4_ave.list', dir=data_path, relax_time=0.0704)
-relax_fit.read(file='T2_ncyc4b_ave.list', dir=data_path, relax_time=0.0704)
-relax_fit.read(file='T2_ncyc6_ave.list', dir=data_path, relax_time=0.1056)
-relax_fit.read(file='T2_ncyc9_ave.list', dir=data_path, relax_time=0.1584)
-relax_fit.read(file='T2_ncyc9b_ave.list', dir=data_path, relax_time=0.1584)
-relax_fit.read(file='T2_ncyc11_ave.list', dir=data_path, relax_time=0.1936)
-relax_fit.read(file='T2_ncyc11b_ave.list', dir=data_path, relax_time=0.1936)
+# Spectrum names.
+names = [
+    'T2_ncyc1_ave',
+    'T2_ncyc1b_ave',
+    'T2_ncyc2_ave',
+    'T2_ncyc4_ave',
+    'T2_ncyc4b_ave',
+    'T2_ncyc6_ave',
+    'T2_ncyc9_ave',
+    'T2_ncyc9b_ave',
+    'T2_ncyc11_ave',
+    'T2_ncyc11b_ave'
+]
 
-# Calculate the peak intensity averages and the standard deviation of all 
spectra.
-relax_fit.mean_and_error()
+# Relaxation times (in seconds).
+times = [
+    0.0176,
+    0.0176,
+    0.0352,
+    0.0704,
+    0.0704,
+    0.1056,
+    0.1584,
+    0.1584,
+    0.1936,
+    0.1936
+]
 
-# Deselect unresolved residues.
+# 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='heights')
+
+    # Set the relaxation times.
+    relax_fit.relax_time(time=times[i], spectrum_id=names[i])
+
+# Peak intensity error analysis.
+spectrum.error_analysis()
+
+# Deselect unresolved spins.
 deselect.read(file='unresolved', dir=data_path)
 
 # Set the relaxation curve type.