r9555 - /1.3/test_suite/system_tests/relax_fit.py -- September 22, 2009 - 14:28

Author: bugman
Date: Tue Sep 22 14:28:03 2009
New Revision: 9555

URL: http://svn.gna.org/viewcvs/relax?rev=9555&view=rev
Log:
Added a series of checks to the test_curve_fitting() system test.


Modified:
    1.3/test_suite/system_tests/relax_fit.py

Modified: 1.3/test_suite/system_tests/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/relax_fit.py?rev=9555&r1=9554&r2=9555&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/relax_fit.py (original)
+++ 1.3/test_suite/system_tests/relax_fit.py Tue Sep 22 14:28:03 2009
@@ -30,7 +30,7 @@
 
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
-from generic_fns.mol_res_spin import spin_index_loop
+from generic_fns.mol_res_spin import spin_index_loop, spin_loop
 from generic_fns import pipes
 
 
@@ -85,6 +85,37 @@
         # Execute the script.
         self.relax.interpreter.run(script_file=sys.path[-1] + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_fit.py')
 
+        # Data.
+        relax_times = [0.0176, 0.0176, 0.0352, 0.0704, 0.0704, 0.1056, 
0.1584, 0.1584, 0.1936, 0.1936]
+        chi2 = [None, None, None, 3.1727215308183405, 5.9732236976178248, 
17.633333237460601, 4.7413502242106036, 10.759950979457724, None, None, None, 
6.5520255580798752]
+        rx = [None, None, None, 8.0814894819861891, 8.6478971007171523, 
9.5710638143380482, 10.716551832690667, 11.143793929315777, None, None, None, 
12.828753698718391]
+        i0 = [None, None, None, 1996050.9679873895, 2068490.9458262245, 
1611556.5193290685, 1362887.2329727132, 1877670.5629299041, None, None, None, 
897044.17270784755]
+
+        # Some checks.
+        self.assertEqual(cdp.curve_type, 'exp')
+        self.assertEqual(cdp.int_method, 'height')
+        self.assertEqual(len(cdp.relax_times), 10)
+        for i in range(10):
+            self.assertEqual(cdp.relax_times[i], relax_times[i])
+
+        # Spin data check.
+        i = 0
+        for spin in spin_loop():
+            # No data present.
+            if chi2[i] == None:
+                self.assert_(not hasattr(spin, 'chi2'))
+
+            # Data present.
+            else:
+                self.assertAlmostEqual(spin.chi2, chi2[i])
+                self.assertAlmostEqual(spin.rx, rx[i])
+                self.assertAlmostEqual(spin.i0/1e6, i0[i]/1e6)
+
+            # Increment the spin index.
+            i = i + 1
+            if i >= 12:
+                break
+
 
     def test_read_sparky(self):
         """The Sparky peak height loading test."""