r19750 - /branches/relax_disp/test_suite/system_tests/relax_disp.py -- May 28, 2013 - 10:47

Author: bugman
Date: Tue May 28 10:47:06 2013
New Revision: 19750

URL: http://svn.gna.org/viewcvs/relax?rev=19750&view=rev
Log:
Added printouts of the optimised parameters to the 
Relax_disp.test_hansen_cpmg_data_LM63 system test.

This includes the conversion to the equivalent CPMGFit parameters.


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=19750&r1=19749&r2=19750&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Tue May 28 
10:47:06 2013
@@ -67,6 +67,22 @@
 
         # Execute the script.
         self.interpreter.run(script_file=status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'hansen_data.py')
+
+        # Printout.
+        print("\n\nOptimised parameters:\n")
+        spin70 = cdp.mol[0].res[0].spin[0]
+        spin71 = cdp.mol[0].res[1].spin[0]
+        print("%-20s %-20s %-20s" % ("Parameter", "Value (:70)", "Value 
(:71)"))
+        print("%-20s %20.8g %20.8g" % ("R2 (500 MHz)", spin70.r2[0], 
spin71.r2[0]))
+        print("%-20s %20.8g %20.8g" % ("R2 (800 MHz)", spin70.r2[1], 
spin71.r2[1]))
+        print("%-20s %20.8g %20.8g" % ("phi_ex", spin70.phi_ex, 
spin71.phi_ex))
+        print("%-20s %20.8g %20.8g" % ("phi_ex (500 MHz)", spin70.phi_ex * 
cdp.spectrometer_frq_list[0]**2, spin71.phi_ex * 
cdp.spectrometer_frq_list[0]**2))
+        print("%-20s %20.8g %20.8g" % ("phi_ex (800 MHz)", spin70.phi_ex * 
cdp.spectrometer_frq_list[1]**2, spin71.phi_ex * 
cdp.spectrometer_frq_list[1]**2))
+        print("%-20s %20.8g %20.8g" % ("kex", spin70.kex, spin71.kex))
+        print("%-20s %20.8g %20.8g\n" % ("chi2", spin70.chi2, spin71.chi2))
+        print("%-20s %20.8g %20.8g" % ("CPMGFit Rex (500)", spin70.phi_ex * 
cdp.spectrometer_frq_list[0]**2 / spin70.kex, spin71.phi_ex * 
cdp.spectrometer_frq_list[0]**2 / spin71.kex))
+        print("%-20s %20.8g %20.8g" % ("CPMGFit Rex (800)", spin70.phi_ex * 
cdp.spectrometer_frq_list[1]**2 / spin70.kex, spin71.phi_ex * 
cdp.spectrometer_frq_list[1]**2 / spin71.kex))
+        print("%-20s %20.8g %20.8g" % ("CPMGFit tau", 2/spin70.kex, 
2/spin71.kex))
 
 
     def test_hansen_cpmg_data_CR72(self):