r21031 - /branches/relax_disp/test_suite/system_tests/relax_disp.py -- October 09, 2013 - 18:34

Author: bugman
Date: Wed Oct  9 18:34:12 2013
New Revision: 21031

URL: http://svn.gna.org/viewcvs/relax?rev=21031&view=rev
Log:
Fixes for the checks of the new 
Relax_disp.test_sprangers_cpmg_data_auto_analysis system test.

The 'MQ NS 2-site' model checks were still set up to those of the
Relax_disp.test_hansen_cpmg_data_auto_analysis system test.


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=21031&r1=21030&r2=21031&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Wed Oct  9 
18:34:12 2013
@@ -1522,24 +1522,47 @@
 
         # The 'MQ NS 2-site' model checks.
         self.interpreter.pipe.switch(pipe_name='MQ NS 2-site')
-        spin70 = cdp.mol[0].res[0].spin[0]
-        spin71 = cdp.mol[0].res[1].spin[0]
-        print("\n\nOptimised parameters:\n")
-        print("%-20s %-20s %-20s" % ("Parameter", "Value (:70)", "Value 
(:71)"))
-        print("%-20s %20.15g %20.15g" % ("R2 (500 MHz)", spin70.r2[0], 
spin71.r2[0]))
-        print("%-20s %20.15g %20.15g" % ("R2 (800 MHz)", spin70.r2[1], 
spin71.r2[1]))
-        print("%-20s %20.15g %20.15g" % ("phi_ex", spin70.phi_ex, 
spin71.phi_ex))
-        print("%-20s %20.15g %20.15g" % ("kex", spin70.kex, spin71.kex))
-        print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2))
-        self.assertAlmostEqual(spin70.r2[0], 6.8058772971170374, 4)
-        self.assertAlmostEqual(spin70.r2[1], 6.6790611414921477, 4)
-        self.assertAlmostEqual(spin70.phi_ex, 0.31009292384617337, 4)
-        self.assertAlmostEqual(spin70.kex/10000, 4763.36556651067/10000, 4)
-        self.assertAlmostEqual(spin70.chi2, 106.393365972649, 4)
-        self.assertAlmostEqual(spin71.r2[0], 4.9264108615358406, 4)
-        self.assertAlmostEqual(spin71.phi_ex, 0.059254616846279792, 4)
-        self.assertAlmostEqual(spin71.kex/10000, 2543.899105435682/10000, 4)
-        self.assertAlmostEqual(spin71.chi2, 1.4423991744690439, 4)
+        spin135S = cdp.mol[0].res[0].spin[0]
+        spin135F = cdp.mol[0].res[0].spin[1]
+        spin137S = cdp.mol[0].res[1].spin[0]
+        spin137F = cdp.mol[0].res[1].spin[1]
+        print("\n\nOptimised parameters:\n")
+        print("%-20s %-20s %-20s %-20s %-20s" % ("Parameter", "Value 
(:135@S)", "Value (:135@F)", "Value (:137@S)", "Value (:137@F)"))
+        print("%-20s %20.15g %20.15g %20.15g %20.15g" % ("R2 (500 MHz)", 
spin135S.r2[0], spin135F.r2[0], spin137S.r2[0], spin137F.r2[0]))
+        print("%-20s %20.15g %20.15g %20.15g %20.15g" % ("R2 (800 MHz)", 
spin135S.r2[1], spin135F.r2[1], spin137S.r2[1], spin137F.r2[1]))
+        print("%-20s %20.15g %20.15g %20.15g %20.15g" % ("pA", spin135S.pA, 
spin135F.pA, spin137S.pA, spin137F.pA))
+        print("%-20s %20.15g %20.15g %20.15g %20.15g" % ("dw", spin135S.dw, 
spin135F.dw, spin137S.dw, spin137F.dw))
+        print("%-20s %20.15g %20.15g %20.15g %20.15g" % ("dwH", 
spin135S.dwH, spin135F.dwH, spin137S.dwH, spin137F.dwH))
+        print("%-20s %20.15g %20.15g %20.15g %20.15g" % ("kex", 
spin135S.kex, spin135F.kex, spin137S.kex, spin137F.kex))
+        print("%-20s %20.15g %20.15g %20.15g %20.15g\n" % ("chi2", 
spin135S.chi2, spin135F.chi2, spin137S.chi2, spin137F.chi2))
+        self.assertAlmostEqual(spin135S.r2[0], 0, 4)
+        self.assertAlmostEqual(spin135S.r2[1], 0, 4)
+        self.assertAlmostEqual(spin135S.pA, 0, 4)
+        self.assertAlmostEqual(spin135S.dw, 0, 4)
+        self.assertAlmostEqual(spin135S.dwH, 0, 4)
+        self.assertAlmostEqual(spin135S.kex/10000, 0, 4)
+        self.assertAlmostEqual(spin135S.chi2, 0, 4)
+        self.assertAlmostEqual(spin135F.r2[0], 0, 4)
+        self.assertAlmostEqual(spin135F.r2[1], 0, 4)
+        self.assertAlmostEqual(spin135F.pA, 0, 4)
+        self.assertAlmostEqual(spin135F.dw, 0, 4)
+        self.assertAlmostEqual(spin135F.dwH, 0, 4)
+        self.assertAlmostEqual(spin135F.kex/10000, 0, 4)
+        self.assertAlmostEqual(spin135F.chi2, 0, 4)
+        self.assertAlmostEqual(spin137S.r2[0], 0, 4)
+        self.assertAlmostEqual(spin137S.r2[1], 0, 4)
+        self.assertAlmostEqual(spin137S.pA, 0, 4)
+        self.assertAlmostEqual(spin137S.dw, 0, 4)
+        self.assertAlmostEqual(spin137S.dwH, 0, 4)
+        self.assertAlmostEqual(spin137S.kex/10000, 0, 4)
+        self.assertAlmostEqual(spin137S.chi2, 0, 4)
+        self.assertAlmostEqual(spin137F.r2[0], 0, 4)
+        self.assertAlmostEqual(spin137F.r2[1], 0, 4)
+        self.assertAlmostEqual(spin137F.pA, 0, 4)
+        self.assertAlmostEqual(spin137F.dw, 0, 4)
+        self.assertAlmostEqual(spin137F.dwH, 0, 4)
+        self.assertAlmostEqual(spin137F.kex/10000, 0, 4)
+        self.assertAlmostEqual(spin137F.chi2, 0, 4)
 
 
     def test_tp02_data_to_ns_r1rho_2site(self, model=None):