r21604 - /branches/relax_disp/test_suite/system_tests/relax_disp.py -- November 22, 2013 - 16:44

Author: bugman
Date: Fri Nov 22 16:44:39 2013
New Revision: 21604

URL: http://svn.gna.org/viewcvs/relax?rev=21604&view=rev
Log:
Fixes for the relaxation dispersion system tests for the changed behaviour of 
the 'CR72' model.

The optimisation is slightly different as values are now always passed into 
the numpy.arccosh()
function.


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=21604&r1=21603&r2=21604&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Fri Nov 22 
16:44:39 2013
@@ -564,11 +564,12 @@
         self.assertAlmostEqual(spin70.dw, 5.60903520132766, 4)
         self.assertAlmostEqual(spin70.kex/10000, 1752.96048901822/10000, 4)
         self.assertAlmostEqual(spin70.chi2, 53.8382161775238, 4)
-        self.assertAlmostEqual(spin71.r2[r20_key1], 5.83137944442748, 2)
-        self.assertAlmostEqual(spin71.pA, 0.525362677141359, 2)
-        self.assertAlmostEqual(spin71.dw, 5.62607344890692e-05, 2)
-        self.assertAlmostEqual(spin71.kex, 5.04771424685256e-06, 2)
-        self.assertAlmostEqual(spin71.chi2, 3907.96355683848, 2)
+        self.assertAlmostEqual(spin71.r2[r20_key1], 5.90115065692451, 2)
+        self.assertAlmostEqual(spin71.r2[r20_key2], 8.8711228286642, 2)
+        self.assertAlmostEqual(spin71.pA, 0.52128026997105, 2)
+        self.assertAlmostEqual(spin71.dw, 0.000250634783026154, 2)
+        self.assertAlmostEqual(spin71.kex, 1.41670416420046e-05, 2)
+        self.assertAlmostEqual(spin71.chi2, 3914.07175884826, 2)
 
 
     def test_hansen_cpmg_data_auto_analysis_numeric(self):
@@ -625,11 +626,12 @@
         self.assertAlmostEqual(spin70.dw, 5.60903520132766, 4)
         self.assertAlmostEqual(spin70.kex/10000, 1752.96048901822/10000, 4)
         self.assertAlmostEqual(spin70.chi2, 53.8382161775238, 4)
-        self.assertAlmostEqual(spin71.r2[r20_key1], 5.83137944442748, 2)
-        self.assertAlmostEqual(spin71.pA, 0.525362677141359, 2)
-        self.assertAlmostEqual(spin71.dw, 5.62607344890692e-05, 2)
-        self.assertAlmostEqual(spin71.kex, 5.04771424685256e-06, 2)
-        self.assertAlmostEqual(spin71.chi2, 3907.96355683848, 2)
+        self.assertAlmostEqual(spin71.r2[r20_key1], 5.90115065692451, 2)
+        self.assertAlmostEqual(spin71.r2[r20_key2], 8.8711228286642, 2)
+        self.assertAlmostEqual(spin71.pA, 0.52128026997105, 2)
+        self.assertAlmostEqual(spin71.dw, 0.000250634783026154, 2)
+        self.assertAlmostEqual(spin71.kex, 1.41670416420046e-05, 2)
+        self.assertAlmostEqual(spin71.chi2, 3914.07175884826, 2)
 
         # The 'NS CPMG 2-site expanded' model checks.  These models have not 
reached the minima due to the low quality optimisation!
         self.interpreter.pipe.switch(pipe_name='NS CPMG 2-site expanded')
@@ -739,11 +741,12 @@
         self.assertAlmostEqual(spin70.dw, 5.60903520132766, 4)
         self.assertAlmostEqual(spin70.kex/10000, 1752.96048901822/10000, 4)
         self.assertAlmostEqual(spin70.chi2, 53.8382161775238, 4)
-        self.assertAlmostEqual(spin71.r2[r20_key1], 5.83137944442748, 2)
-        self.assertAlmostEqual(spin71.pA, 0.525362677141359, 2)
-        self.assertAlmostEqual(spin71.dw, 5.62607344890692e-05, 2)
-        self.assertAlmostEqual(spin71.kex, 5.04771424685256e-06, 2)
-        self.assertAlmostEqual(spin71.chi2, 3907.96355683848, 2)
+        self.assertAlmostEqual(spin71.r2[r20_key1], 5.90115065692451, 2)
+        self.assertAlmostEqual(spin71.r2[r20_key2], 8.8711228286642, 2)
+        self.assertAlmostEqual(spin71.pA, 0.52128026997105, 2)
+        self.assertAlmostEqual(spin71.dw, 0.000250634783026154, 2)
+        self.assertAlmostEqual(spin71.kex, 1.41670416420046e-05, 2)
+        self.assertAlmostEqual(spin71.chi2, 3914.07175884826, 2)
 
 
     def test_hansen_cpmg_data_to_cr72(self):