r20904 - in /branches/relax_disp/test_suite/system_tests: relax_disp.py scripts/relax_disp/exp_fit.py -- September 06, 2013 - 16:09

Author: bugman
Date: Fri Sep  6 16:09:06 2013
New Revision: 20904

URL: http://svn.gna.org/viewcvs/relax?rev=20904&view=rev
Log:
Fixes for the Relax_disp.test_exp_fit system test - the spectrometer 
frequency is now set.

This information is now compulsory.


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=20904&r1=20903&r2=20904&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Fri Sep  6 
16:09:06 2013
@@ -258,16 +258,17 @@
             print("\nResidue number %s." % (i+1))
 
             # Check the fitted parameters.
-            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff['1000.0'], 
res_data[i][0], places=2)
-            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff['2000.0'], 
res_data[i][1], places=2)
-            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0['1000.0']/10000, 
res_data[i][2]/10000, places=3)
-            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0['2000.0']/10000, 
res_data[i][3]/10000, places=3)
+            print cdp.mol[0].res[i].spin[0].r2eff
+            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff['1200.0_1000.0'], 
res_data[i][0], places=2)
+            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].r2eff['1200.0_2000.0'], 
res_data[i][1], places=2)
+            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0['1200.0_1000.0']/10000, 
res_data[i][2]/10000, places=3)
+            
self.assertAlmostEqual(cdp.mol[0].res[i].spin[0].i0['1200.0_2000.0']/10000, 
res_data[i][3]/10000, places=3)
 
             # Check the simulation errors.
-            self.assert_(cdp.mol[0].res[i].spin[0].r2eff_err['1000.0'] < 5.0)
-            self.assert_(cdp.mol[0].res[i].spin[0].r2eff_err['2000.0'] < 5.0)
-            self.assert_(cdp.mol[0].res[i].spin[0].i0_err['1000.0']/10000 < 
5.0)
-            self.assert_(cdp.mol[0].res[i].spin[0].i0_err['2000.0']/10000 < 
5.0)
+            
self.assert_(cdp.mol[0].res[i].spin[0].r2eff_err['1200.0_1000.0'] < 5.0)
+            
self.assert_(cdp.mol[0].res[i].spin[0].r2eff_err['1200.0_2000.0'] < 5.0)
+            
self.assert_(cdp.mol[0].res[i].spin[0].i0_err['1200.0_1000.0']/10000 < 5.0)
+            
self.assert_(cdp.mol[0].res[i].spin[0].i0_err['1200.0_2000.0']/10000 < 5.0)
 
             # Check that certain parameters are not present.
             for param in blacklist:

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=20904&r1=20903&r2=20904&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 
Fri Sep  6 16:09:06 2013
@@ -76,6 +76,9 @@
     # Set the relaxation times.
     relax_disp.relax_time(spectrum_id=data[i][0], time=data[i][3])
 
+    # Set the spectrometer frequency.
+    spectrometer.frequency(id=data[i][0], frq=1.2, units='GHz')
+
 # Clustering.
 relax_disp.cluster(cluster_id='test', spin_id=':1')
 relax_disp.cluster(cluster_id='cluster', spin_id=':1,3@N')