r7955 - /branches/spectral_errors/test_suite/system_tests/scripts/relax_fit.py -- October 23, 2008 - 17:59

Author: bugman
Date: Thu Oct 23 17:59:19 2008
New Revision: 7955

URL: http://svn.gna.org/viewcvs/relax?rev=7955&view=rev
Log:
Expanded the relax_fit.py system test script to include the creation of a 
number of files.

These include files of Rx values, the results file, grace files, and the 
saved state file.


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=7955&r1=7954&r2=7955&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 17:59:19 2008
@@ -72,3 +72,19 @@
 monte_carlo.initial_values()
 minimise('simplex', constraints=False)
 monte_carlo.error_analysis()
+
+# Save the relaxation rates.
+value.write(param='rx', file='devnull', force=True)
+
+# Save the results.
+results.write(file='devnull', force=True)
+
+# Create Grace plots of the data.
+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='ave_int', 
file='devnull', force=True)    # Average peak intensities.
+grace.write(x_data_type='relax_times', y_data_type='ave_int', norm=True, 
file='devnull', force=True)    # Average peak intensities (normalised).
+
+# Save the program state.
+state.save(file='devnull', force=True)