r9262 - /1.3/test_suite/system_tests/diffusion_tensor.py -- July 21, 2009 - 21:38

Author: bugman
Date: Tue Jul 21 21:38:43 2009
New Revision: 9262

URL: http://svn.gna.org/viewcvs/relax?rev=9262&view=rev
Log:
The diffusion tensor MC sim data is now properly set up.


Modified:
    1.3/test_suite/system_tests/diffusion_tensor.py

Modified: 1.3/test_suite/system_tests/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/diffusion_tensor.py?rev=9262&r1=9261&r2=9262&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/diffusion_tensor.py (original)
+++ 1.3/test_suite/system_tests/diffusion_tensor.py Tue Jul 21 21:38:43 2009
@@ -28,6 +28,7 @@
 
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
+from data.diff_tensor import DiffTensorSimList
 from generic_fns.pipes import get_pipe
 from tempfile import mktemp
 
@@ -74,26 +75,60 @@
         # Some fake MC simulations (for the spheroid).
         self.relax.interpreter._Pipe.switch('spheroid')
         cdp = get_pipe()
+
+        # Initialise the data structures.
+        cdp.diff_tensor.tm_sim = DiffTensorSimList('tm', cdp.diff_tensor, 
elements=5)
+        cdp.diff_tensor.Da_sim = DiffTensorSimList('Da', cdp.diff_tensor, 
elements=5)
+        cdp.diff_tensor.theta_sim = DiffTensorSimList('theta', 
cdp.diff_tensor, elements=5)
+        cdp.diff_tensor.phi_sim = DiffTensorSimList('phi', cdp.diff_tensor, 
elements=5)
+
+        # Set some errors.
         cdp.diff_tensor.Da_err = 765986.42128728074
-        cdp.diff_tensor.Da_sim = [-10090112.175, -9922709.9518, 
-10118143.631, -10016815.789, -10009684.028]
         cdp.diff_tensor.theta_err = 0.00068021155978203692
-        cdp.diff_tensor.theta_sim = [1.67256128318, 1.67099947873, 
1.67255937685, 1.67210656881, 1.6715284024]
         cdp.diff_tensor.tm_err = 1.7695846045376088e-11
-        cdp.diff_tensor.tm_sim = [3.5314969337e-09, 3.56919594167e-09, 
3.52348845053e-09, 3.54505145128e-09, 3.5502948504e-09]
         cdp.diff_tensor.phi_err = 0.00078453847526795194
-        cdp.diff_tensor.phi_sim = [2.71811219172, 2.7177223339, 
2.71817620501, 2.71783544462, 2.71625856632]
+
+        # The sim data.
+        Da_sim = [-10090112.175, -9922709.9518, -10118143.631, 
-10016815.789, -10009684.028]
+        theta_sim = [1.67256128318, 1.67099947873, 1.67255937685, 
1.67210656881, 1.6715284024]
+        tm_sim = [3.5314969337e-09, 3.56919594167e-09, 3.52348845053e-09, 
3.54505145128e-09, 3.5502948504e-09]
+        phi_sim = [2.71811219172, 2.7177223339, 2.71817620501, 
2.71783544462, 2.71625856632]
+        for i in range(5):
+            cdp.diff_tensor.Da_sim[i] = Da_sim[i]
+            cdp.diff_tensor.theta_sim[i] = theta_sim[i]
+            cdp.diff_tensor.tm_sim[i] = tm_sim[i]
+            cdp.diff_tensor.phi_sim[i] = phi_sim[i]
 
 
         # Some fake MC simulations (for the ellipsoid).
         self.relax.interpreter._Pipe.switch('ellipsoid')
         cdp = get_pipe()
-        cdp.diff_tensor.Dr_sim = [0.28, 0.29, 0.3, 0.31, 0.32]
-        cdp.diff_tensor.tm_sim = [8.97e-8, 8.99e-8, 9.00e-8, 9.01e-8, 
9.02e-8]
-        cdp.diff_tensor.Da_sim = [5.02e6, 5.01e6, 5.00e6, 4.99e6, 4.98e6]
-        cdp.diff_tensor.tm_sim[1] = 8.98e-8
-        cdp.diff_tensor.alpha_sim = [80.0/360*2*pi, 70.0/360*2*pi, 
60.0/360*2*pi, 50.0/360*2*pi, 40.0/360*2*pi]
-        cdp.diff_tensor.beta_sim = [295.0/360*2*pi, 292.5/360*2*pi, 
290.0/360*2*pi, 289.5/360*2*pi, 288.0/360*2*pi]
-        cdp.diff_tensor.gamma_sim = [102.0/360*2*pi, 101.0/360*2*pi, 0.0, 
99.0/360*2*pi, 98.0/360*2*pi]
+
+        # Initialise the data structures.
+        cdp.diff_tensor.tm_sim = DiffTensorSimList('tm', cdp.diff_tensor, 
elements=5)
+        cdp.diff_tensor.Da_sim = DiffTensorSimList('Da', cdp.diff_tensor, 
elements=5)
+        cdp.diff_tensor.Dr_sim = DiffTensorSimList('Dr', cdp.diff_tensor, 
elements=5)
+        cdp.diff_tensor.alpha_sim = DiffTensorSimList('alpha', 
cdp.diff_tensor, elements=5)
+        cdp.diff_tensor.beta_sim = DiffTensorSimList('beta', 
cdp.diff_tensor, elements=5)
+        cdp.diff_tensor.gamma_sim = DiffTensorSimList('gamma', 
cdp.diff_tensor, elements=5)
+
+        # The sim data.
+        Dr_sim = [0.28, 0.29, 0.3, 0.31, 0.32]
+        tm_sim = [8.97e-8, 8.99e-8, 9.00e-8, 9.01e-8, 9.02e-8]
+        Da_sim = [5.02e6, 5.01e6, 5.00e6, 4.99e6, 4.98e6]
+        alpha_sim = [80.0/360*2*pi, 70.0/360*2*pi, 60.0/360*2*pi, 
50.0/360*2*pi, 40.0/360*2*pi]
+        beta_sim = [295.0/360*2*pi, 292.5/360*2*pi, 290.0/360*2*pi, 
289.5/360*2*pi, 288.0/360*2*pi]
+        gamma_sim = [102.0/360*2*pi, 101.0/360*2*pi, 0, 99.0/360*2*pi, 
98.0/360*2*pi]
+        for i in range(5):
+            cdp.diff_tensor.Dr_sim[i] = Dr_sim[i]
+            cdp.diff_tensor.tm_sim[i] = tm_sim[i]
+            cdp.diff_tensor.Da_sim[i] = Da_sim[i]
+            cdp.diff_tensor.alpha_sim[i] = alpha_sim[i]
+            cdp.diff_tensor.beta_sim[i] = beta_sim[i]
+            cdp.diff_tensor.gamma_sim[i] = gamma_sim[i]
+
+        # Reset some values.
+        cdp.diff_tensor.tm_sim[0] = 8.98e-8
         cdp.diff_tensor.gamma_sim[2] = 100.0/360*2*pi