r10063 - /1.3/generic_fns/align_tensor.py -- December 04, 2009 - 18:18

Author: bugman
Date: Fri Dec  4 18:18:52 2009
New Revision: 10063

URL: http://svn.gna.org/viewcvs/relax?rev=10063&view=rev
Log:
Added geometric parameters to the align_tensor.display() print out.


Modified:
    1.3/generic_fns/align_tensor.py

Modified: 1.3/generic_fns/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/align_tensor.py?rev=10063&r1=10062&r2=10063&view=diff
==============================================================================
--- 1.3/generic_fns/align_tensor.py (original)
+++ 1.3/generic_fns/align_tensor.py Fri Dec  4 18:18:52 2009
@@ -309,11 +309,30 @@
 
         # Rotation matrix.
         print("# Rotation matrix.")
-        print("%s\n" % data.R)
+        print("%s\n" % data.rotation)
 
         # zyz.
         print("# Euler angles in zyz notation {alpha, beta, gamma}.")
         print(("[%25.12f, %25.12f, %25.12f]\n" % (data.euler[0], 
data.euler[1], data.euler[2])))
+
+
+        # Geometric description.
+        ########################
+
+        title = "# Geometric description."
+        print("\n\n" + title + '\n' + '#'*len(title) + '\n')
+
+        # Anisotropy.
+        print("# Axial component (Aa = 3/2 * Azz, where Aii are the 
eigenvalues).")
+        print("Aa = %-25.12e\n" % data.Aa)
+
+        # Rhombicity.
+        print("# Rhombic component (Ar = Axx - Ayy, where Aii are the 
eigenvalues).")
+        print("Ar = %-25.12e\n" % data.Ar)
+        print("# Rhombicity (R = Ar / Aa).")
+        print("R = %-25.12f\n" % data.R)
+        print("# Asymmetry parameter (eta = (Axx - Ayy) / Azz, where Aii are 
the eigenvalues).")
+        print("eta = %-25.12f\n" % data.eta)
 
         # Some white space.
         print("\n\n\n")