r19999 - in /branches/relax_disp/test_suite/system_tests: relax_disp.py scripts/relax_disp/r1rho_on_res_m61b.py -- June 09, 2013 - 22:20

Author: bugman
Date: Sun Jun  9 22:20:22 2013
New Revision: 19999

URL: http://svn.gna.org/viewcvs/relax?rev=19999&view=rev
Log:
Updates to the Relax_disp.test_r1rho_on_res_fixed_time_m61b system test.


Modified:
    branches/relax_disp/test_suite/system_tests/relax_disp.py
    
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.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=19999&r1=19998&r2=19999&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Sun Jun  9 
22:20:22 2013
@@ -572,26 +572,10 @@
 
         # The original parameters.
         i0 = [100000.0, 20000.0]
-        r1rho_prime = [2.25, 24.0]
+        r1rho_prime = [10.0, 24.0]
         pA = 0.95
         kex = 2000.0
         delta_omega = [1.0, 2.0]
-        keys = ['800.0_1000.0', '800.0_1500.0', '800.0_2000.0', 
'800.0_2500.0', '800.0_3000.0', '800.0_3500.0', '800.0_4000.0', 
'800.0_4500.0', '800.0_5000.0', '800.0_5500.0', '800.0_6000.0']
-        rates = [[3.59768160399, 2.85730469783, 2.59328084312, 
2.47019857325, 2.40310451058, 2.36256876552, 2.33622716364, 2.31815271355, 
2.30521680479, 2.29564174079, 2.28835686631], [29.390726416, 26.4292187913, 
25.3731233725, 24.880794293, 24.6124180423, 24.4502750621, 24.3449086546, 
24.2726108542, 24.2208672192, 24.1825669632, 24.1534274652]]
-
-        # Switch to the 'R2eff' model data pipe, then check for each spin.
-        self.interpreter.pipe.switch(MODEL_R2EFF)
-        spin_index = 0
-        for spin, spin_id in spin_loop(return_id=True):
-            # Printout.
-            print("\nSpin %s." % spin_id)
-
-            # Check the fitted parameters.
-            for i in range(len(keys)):
-                self.assertAlmostEqual(spin.r2eff[keys[i]]/10.0, 
rates[spin_index][i]/10.0, 2)
-
-            # Increment the spin index.
-            spin_index += 1
 
         # Switch to the 'M61 skew' model data pipe, then check for each spin.
         self.interpreter.pipe.switch(MODEL_M61B)

Modified: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py?rev=19999&r1=19998&r2=19999&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
 (original)
+++ 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
 Sun Jun  9 22:20:22 2013
@@ -14,10 +14,10 @@
 #####################
 
 # The dispersion models.
-MODELS = ['R2eff', 'No Rex', 'M61 skew']
+MODELS = ['R2eff', 'M61 skew']
 
 # The grid search size (the number of increments per dimension).
-GRID_INC = 3
+GRID_INC = 4
 
 # The number of Monte Carlo simulations to be used for error analysis at the 
end of the analysis.
 MC_NUM = 3
@@ -53,7 +53,7 @@
 data = []
 spin_lock = [1000, 1500, 2000, 2500, 3000, 3500, 4000, 4500, 5000, 5500, 
6000]
 for spin_lock_index in range(len(spin_lock)):
-    data.append(["nu_%s_time_0.1" % spin_lock[spin_lock_index], 
"nu_%s_time_0.1.list" % spin_lock[spin_lock_index], 
spin_lock[spin_lock_index], 0.1, 200000.0])
+    data.append(["nu_%s_time_0.1" % spin_lock[spin_lock_index], 
"nu_%s_time_0.1.list" % spin_lock[spin_lock_index], 
spin_lock[spin_lock_index], 0.1, 100000.0])
 
 # Load the reference spectrum.
 spectrum.read_intensities(file="nu_%s_ref.list" % spin_lock[0], 
dir=data_path, spectrum_id='ref', int_method='height', heteronuc='N', 
proton='HN')
@@ -83,7 +83,7 @@
     spectrometer.frequency(id=data[i][0], frq=800, units='MHz')
 
 # Clustering.
-relax_disp.cluster(cluster_id='cluster', spin_id='@N,NE1')
+#relax_disp.cluster(cluster_id='cluster', spin_id='@N,NE1')
 
 
 
@@ -91,8 +91,8 @@
 ##########################
 
 # Run faster.
-Relax_disp.opt_func_tol = 1e-10
-Relax_disp.opt_max_iterations = 10000
+#Relax_disp.opt_func_tol = 1e-5
+#Relax_disp.opt_max_iterations = 10000
 
 # Do not change!
 Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, 
results_dir=ds.tmpdir, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM)