r25483 - /trunk/test_suite/system_tests/relax_disp.py -- August 31, 2014 - 14:33

Author: tlinnet
Date: Sun Aug 31 14:33:33 2014
New Revision: 25483

URL: http://svn.gna.org/viewcvs/relax?rev=25483&view=rev
Log:
Inserted systemtest Relax_disp.test_finite_value, to illustrate the return of 
inf from C-code exponential, when R is negative.

This can be an issue, if minfx takes a wrong step when no constraints are 
implemented.

bug #22552(https://gna.org/bugs/index.php?22552): Chi2 value returned from 
C-code Curve-fitting return 0.0 for wrong parameters -> Expected influence on 
Monte-Carlo sim.

Modified:
    trunk/test_suite/system_tests/relax_disp.py

Modified: trunk/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=25483&r1=25482&r2=25483&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Sun Aug 31 14:33:33 2014
@@ -44,6 +44,15 @@
 from status import Status; status = Status()
 from test_suite.system_tests.base_classes import SystemTestCase
 
+# C modules.
+if dep_check.C_module_exp_fn:
+    from specific_analyses.relax_fit.optimisation import func_wrapper, 
dfunc_wrapper, d2func_wrapper
+    from target_functions.relax_fit import jacobian, jacobian_chi2, setup
+    # Call the python wrapper function to help with list to numpy array 
conversion.
+    func = func_wrapper
+    dfunc = dfunc_wrapper
+    d2func = d2func_wrapper
+
 
 class Relax_disp(SystemTestCase):
     """Class for testing various aspects specific to relaxation dispersion 
curve-fitting."""
@@ -65,7 +74,8 @@
                 
"test_bug_21344_sparse_time_spinlock_acquired_r1rho_fail_relax_disp",
                 "test_estimate_r2eff_err",
                 "test_estimate_r2eff_err_auto",
-                "test_estimate_r2eff_err_methods"
+                "test_estimate_r2eff_err_methods",
+                "test_finite_value",
                 "test_exp_fit",
                 "test_m61_exp_data_to_m61",
                 "test_r1rho_kjaergaard_auto",
@@ -3288,6 +3298,26 @@
         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_finite_value(self):
+        """Test return from C code, when parameters are wrong.  This can 
happen, if minfx takes a wrong step."""
+
+        times = array([ 0.7,  1. ,  0.8,  0.4,  0.9])
+        I = array([ 476.76174875,  372.43328777,  454.20339981,  
656.87936253,  419.16726341])
+        errors = array([  9.48032653,  11.34093541,   9.35149017,  
10.84867928,  12.17590736])
+
+        scaling_list = [1.0, 1.0]
+        setup(num_params=2, num_times=len(times), values=I, sd=errors, 
relax_times=times, scaling_matrix=scaling_list)
+
+        R = - 500.
+        I0 = 1000.
+        params = [R, I0]
+
+        chi2 = func(params)
+
+        print("The chi2 value returned from C-code for R=%3.2f and I0=%3.2f, 
then chi2=%3.2f"%(R, I0, chi2))
+        self.assertNotEqual(chi2, inf)
 
 
     def test_hansen_catia_input(self):