r19467 - in /branches/relax_disp/test_suite/system_tests: relax_disp.py scripts/relax_disp/exp_fit.py -- April 11, 2013 - 17:04

Author: bugman
Date: Thu Apr 11 17:04:25 2013
New Revision: 19467

URL: http://svn.gna.org/viewcvs/relax?rev=19467&view=rev
Log:
Added testing for spin clustering to the Relax_disp.test_exp_fit system test.

This includes calls to the new relax_disp.cluster user function and the 
checking of pipe variables
holding the clustering information.


Modified:
    branches/relax_disp/test_suite/system_tests/relax_disp.py
    branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py

Modified: branches/relax_disp/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/relax_disp.py?rev=19467&r1=19466&r2=19467&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Thu Apr 11 
17:04:25 2013
@@ -108,6 +108,15 @@
                 print("\tChecking for the absence of the '%s' parameter." % 
param)
                 self.assert_(not hasattr(cdp.mol[0].res[i].spin[0], param))
 
+        # Check the clustering information.
+        self.assert_(hasattr(cdp, 'clustering'))
+        keys = ['free spins', 'cluster']
+        for key in keys:
+            self.assert_(key in cdp.clustering)
+        self.assert_('test' not in cdp.clustering)
+        self.assertEqual(cdp.clustering['free spins'], [':2@N'])
+        self.assertEqual(cdp.clustering['cluster'], [':1@N', ':3@N'])
+
 
     def test_read_r2eff(self):
         """Test the reading of a file containing r2eff values."""

Modified: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py?rev=19467&r1=19466&r2=19467&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py 
(original)
+++ branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py 
Thu Apr 11 17:04:25 2013
@@ -79,6 +79,12 @@
 # Peak intensity error analysis.
 spectrum.error_analysis()
 
+# Clustering.
+relax_disp.cluster(cluster_id='test', spin_id=':1')
+relax_disp.cluster(cluster_id='cluster', spin_id=':1,:3')
+
+
+
 # Auto-analysis execution.
 ##########################