r13119 - /branches/inversion-recovery/test_suite/system_tests/relax_fit.py -- June 17, 2011 - 18:23

Author: semor
Date: Fri Jun 17 18:23:27 2011
New Revision: 13119

URL: http://svn.gna.org/viewcvs/relax?rev=13119&view=rev
Log:

Renamed the function for checking the curve fitting results.


Modified:
    branches/inversion-recovery/test_suite/system_tests/relax_fit.py

Modified: branches/inversion-recovery/test_suite/system_tests/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/system_tests/relax_fit.py?rev=13119&r1=13118&r2=13119&view=diff
==============================================================================
--- branches/inversion-recovery/test_suite/system_tests/relax_fit.py 
(original)
+++ branches/inversion-recovery/test_suite/system_tests/relax_fit.py Fri Jun 
17 18:23:27 2011
@@ -101,6 +101,47 @@
                 break
 
 
+    def check_curve_fitting_exp_3param_inv_neg(self):
+        """Check the results of the curve-fitting."""
+
+        # 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_2param_neg')
+        self.assertEqual(cdp.int_method, ds.int_type)
+        self.assertEqual(len(cdp.relax_times), 10)
+        cdp_relax_times = sorted(cdp.relax_times.values())
+        for i in range(10):
+            self.assertEqual(cdp_relax_times[i], relax_times[i])
+
+        # Check the errors.
+        for key in cdp.sigma_I:
+            self.assertEqual(cdp.sigma_I[key], 10142.707367087694)
+            self.assertEqual(cdp.var_I[key], 102874512.734375)
+
+        # 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_bug_12670_12679(self):
         """Test the relaxation curve fitting, replicating bug #12670 and bug 
#12679."""