r7648 - /1.3/test_suite/system_tests/palmer.py -- October 12, 2008 - 16:09

Author: bugman
Date: Sun Oct 12 16:09:04 2008
New Revision: 7648

URL: http://svn.gna.org/viewcvs/relax?rev=7648&view=rev
Log:
Added checks to the Modelfree4 system test.


Modified:
    1.3/test_suite/system_tests/palmer.py

Modified: 1.3/test_suite/system_tests/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/palmer.py?rev=7648&r1=7647&r2=7648&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/palmer.py (original)
+++ 1.3/test_suite/system_tests/palmer.py Sun Oct 12 16:09:04 2008
@@ -28,6 +28,7 @@
 
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
+from generic_fns.mol_res_spin import return_spin
 from relax_io import test_binary
 
 
@@ -65,3 +66,27 @@
 
         # Execute the script.
         self.relax.interpreter.run(script_file=sys.path[-1] + 
'/test_suite/system_tests/scripts/palmer.py')
+
+        # Checks for model m1 mfout file reading.
+        models = ['m1', 'm2', 'm3']
+        params = [['S2'], ['S2', 'te'], ['S2', 'Rex']]
+        spin_names = [':-2&:Gly', ':-1&:Gly', ':0&:Gly']
+        s2 = [[0.869, 0.732, 0.802], [0.869, 0.730, 0.755], [0.715, 0.643, 
0.734]]
+        te = [[None, None, None], [0.0, 1.951, 1319.171], [None, None, None]]
+        rex = [[None, None, None], [None, None, None], [4.308, 4.278, 1.017]]
+        chi2 = [[36.6223, 20.3954, 5.2766], [36.6223, 20.3299, 0.0], 
[1.9763, 0.6307, 5.2766]]
+        for model_index in xrange(3):
+            print "Model " + `models[model_index]`
+            for spin_index in xrange(3):
+                print "Spin " + `spin_names[spin_index]`
+                spin = return_spin(spin_names[spin_index], 
pipe=models[model_index])
+                self.assertEqual(spin.model, models[model_index])
+                self.assertEqual(spin.params, params[model_index])
+                self.assertEqual(spin.s2, s2[model_index][spin_index])
+                self.assertEqual(spin.s2f, None)
+                self.assertEqual(spin.s2s, None)
+                self.assertEqual(spin.te, te[model_index][spin_index])
+                self.assertEqual(spin.tf, None)
+                self.assertEqual(spin.ts, None)
+                self.assertEqual(spin.rex, rex[model_index][spin_index])
+                self.assertEqual(spin.chi2, chi2[model_index][spin_index])