r19907 - /branches/relax_disp/test_suite/system_tests/relax_disp.py -- June 06, 2013 - 19:50

Author: bugman
Date: Thu Jun  6 19:50:11 2013
New Revision: 19907

URL: http://svn.gna.org/viewcvs/relax?rev=19907&view=rev
Log:
Created the Relax_disp.test_r1rho_on_res_exponential_m61 system test.

This is identical to the Relax_disp.test_r1rho_on_res_fixed_time_m61 system 
test except that the
full exponential curves are used rather than the 2-point fixed time approach.


Modified:
    branches/relax_disp/test_suite/system_tests/relax_disp.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=19907&r1=19906&r2=19907&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Thu Jun  6 
19:50:11 2013
@@ -463,11 +463,11 @@
         self.assertEqual(cdp.mol[0].res[2].spin[0].ri_data['R2eff.600'], 
7.2385)
 
 
-    def test_r1rho_on_res_fixed_time_m61(self):
-        """Test the relaxation dispersion 'M61' model curve fitting to fixed 
time synthetic data."""
+    def test_r1rho_on_res_exponential_m61(self):
+        """Test the relaxation dispersion 'M61' model curve fitting to the 
full exponential synthetic data."""
 
         # Fixed time variable.
-        ds.fixed = True
+        ds.fixed = False
 
         # Execute the script.
         self.interpreter.run(script_file=status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'r1rho_on_res_m61.py')
@@ -509,3 +509,51 @@
 
             # Increment the spin index.
             spin_index += 1
+
+
+    def test_r1rho_on_res_fixed_time_m61(self):
+        """Test the relaxation dispersion 'M61' model curve fitting to fixed 
time synthetic data."""
+
+        # Fixed time variable.
+        ds.fixed = True
+
+        # Execute the script.
+        self.interpreter.run(script_file=status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'r1rho_on_res_m61.py')
+
+        # The original parameters.
+        i0 = [100000.0, 20000.0]
+        r1rho_prime = [2.25, 24.0]
+        pA = 0.7
+        kex = 1000.0
+        delta_omega = [1.0, 2.0]
+        keys = ['1000.0', '1500.0', '2000.0', '2500.0', '3000.0', '3500.0', 
'4000.0', '4500.0', '5000.0', '5500.0', '6000.0']
+
+        # Switch to the 'R2eff' model data pipe, then check for each spin.
+        self.interpreter.pipe.switch('R2eff')
+        spin_index = 0
+        for spin, spin_id in spin_loop(return_id=True):
+            # Printout.
+            print("\nSpin %s." % spin_id)
+            print spin
+
+            # Check the fitted parameters.
+            for key in keys:
+                self.assertAlmostEqual(spin.r2eff[key], 
r1rho_prime[spin_index])
+
+            # Increment the spin index.
+            spin_index += 1
+
+        # Switch to the 'M61' model data pipe, then check for each spin.
+        self.interpreter.pipe.switch('M61')
+        spin_index = 0
+        for spin, spin_id in spin_loop(return_id=True):
+            # Printout.
+            print("\nSpin %s." % spin_id)
+
+            # Check the fitted parameters.
+            self.assertAlmostEqual(spin.pA, pA)
+            self.assertAlmostEqual(spin.kex, kex)
+            self.assertAlmostEqual(spin.delta_omega, delta_omega[spin_index])
+
+            # Increment the spin index.
+            spin_index += 1