r6896 - /branches/rdc_analysis/maths_fns/rdc.py -- July 09, 2008 - 16:49

Author: bugman
Date: Wed Jul  9 16:49:43 2008
New Revision: 6896

URL: http://svn.gna.org/viewcvs/relax?rev=6896&view=rev
Log:
Created maxA() for finding the maximal alignment or the Azz component in the 
alignment frame.


Modified:
    branches/rdc_analysis/maths_fns/rdc.py

Modified: branches/rdc_analysis/maths_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/maths_fns/rdc.py?rev=6896&r1=6895&r2=6896&view=diff
==============================================================================
--- branches/rdc_analysis/maths_fns/rdc.py (original)
+++ branches/rdc_analysis/maths_fns/rdc.py Wed Jul  9 16:49:43 2008
@@ -22,6 +22,9 @@
 
 # Module docstring.
 """Module containing functions for the calculation of RDCs."""
+
+# Python imports.
+from numpy.linalg import eigvals
 
 
 def average_rdc_5D(vect, K, Axx, Ayy, Axy, Axz, Ayz):
@@ -119,6 +122,18 @@
     return val / K
 
 
+def maxA(tensor):
+    """Find the maximal alignment - the Azz component in the alignment frame.
+
+    @param tensor:      The alignment tensor object.
+    @type tensor:       numpy rank-2 3D tensor
+    @return:            The Azz component in the alignment frame.
+    """
+
+    # Return the value.
+    return max(abs(eigvals(tensor)))
+
+
 def to_5D(5D_vector, tensor):
     """Convert the rank-2 3D alignment tensor matrix to the 5D vector format.