r4596 - /branches/N_state_model/generic_fns/align_tensor.py -- January 10, 2008 - 16:28

Author: bugman
Date: Thu Jan 10 16:28:08 2008
New Revision: 4596

URL: http://svn.gna.org/viewcvs/relax?rev=4596&view=rev
Log:
Updated the matrix_angles() and svd() functions for the new alignment tensor 
structure.


Modified:
    branches/N_state_model/generic_fns/align_tensor.py

Modified: branches/N_state_model/generic_fns/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/align_tensor.py?rev=4596&r1=4595&r2=4596&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/align_tensor.py (original)
+++ branches/N_state_model/generic_fns/align_tensor.py Thu Jan 10 16:28:08 
2008
@@ -664,24 +664,24 @@
 
     # Loop over the tensors.
     i = 0
-    for key in cdp.align_tensor.keys():
+    for tensor in cdp.align_tensor:
         # Unitary basis set.
         if basis_set == 0:
             # Pack the elements.
-            matrix[i,0] = cdp.align_tensor[key].Sxx
-            matrix[i,1] = cdp.align_tensor[key].Syy
-            matrix[i,2] = cdp.align_tensor[key].Sxy
-            matrix[i,3] = cdp.align_tensor[key].Sxz
-            matrix[i,4] = cdp.align_tensor[key].Syz
+            matrix[i,0] = tensor.Sxx
+            matrix[i,1] = tensor.Syy
+            matrix[i,2] = tensor.Sxy
+            matrix[i,3] = tensor.Sxz
+            matrix[i,4] = tensor.Syz
 
         # Geometric basis set.
         elif basis_set == 1:
             # Pack the elements.
-            matrix[i,0] = cdp.align_tensor[key].Szz
-            matrix[i,1] = cdp.align_tensor[key].Sxxyy
-            matrix[i,2] = cdp.align_tensor[key].Sxy
-            matrix[i,3] = cdp.align_tensor[key].Sxz
-            matrix[i,4] = cdp.align_tensor[key].Syz
+            matrix[i,0] = tensor.Szz
+            matrix[i,1] = tensor.Sxxyy
+            matrix[i,2] = tensor.Sxy
+            matrix[i,3] = tensor.Sxz
+            matrix[i,4] = tensor.Syz
 
         # Normalisation.
         norm = linalg.norm(matrix[i])
@@ -1292,22 +1292,22 @@
 
     # Pack the elements.
     i = 0
-    for key in cdp.align_tensor.keys():
+    for tensor in cdp.align_tensor:
         # Unitary basis set.
         if basis_set == 0:
-            matrix[i,0] = cdp.align_tensor[key].Sxx
-            matrix[i,1] = cdp.align_tensor[key].Syy
-            matrix[i,2] = cdp.align_tensor[key].Sxy
-            matrix[i,3] = cdp.align_tensor[key].Sxz
-            matrix[i,4] = cdp.align_tensor[key].Syz
+            matrix[i,0] = tensor.Sxx
+            matrix[i,1] = tensor.Syy
+            matrix[i,2] = tensor.Sxy
+            matrix[i,3] = tensor.Sxz
+            matrix[i,4] = tensor.Syz
 
         # Geometric basis set.
         elif basis_set == 1:
-            matrix[i,0] = cdp.align_tensor[key].Szz
-            matrix[i,1] = cdp.align_tensor[key].Sxxyy
-            matrix[i,2] = cdp.align_tensor[key].Sxy
-            matrix[i,3] = cdp.align_tensor[key].Sxz
-            matrix[i,4] = cdp.align_tensor[key].Syz
+            matrix[i,0] = tensor.Szz
+            matrix[i,1] = tensor.Sxxyy
+            matrix[i,2] = tensor.Sxy
+            matrix[i,3] = tensor.Sxz
+            matrix[i,4] = tensor.Syz
 
         # Increment the index.
         i = i + 1