r5325 - /1.3/generic_fns/structure/api_base.py -- April 04, 2008 - 17:29

Author: bugman
Date: Fri Apr  4 17:29:43 2008
New Revision: 5325

URL: http://svn.gna.org/viewcvs/relax?rev=5325&view=rev
Log:
Added the xh_vector() prototype method stub to the structure API.


Modified:
    1.3/generic_fns/structure/api_base.py

Modified: 1.3/generic_fns/structure/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/api_base.py?rev=5325&r1=5324&r2=5325&view=diff
==============================================================================
--- 1.3/generic_fns/structure/api_base.py (original)
+++ 1.3/generic_fns/structure/api_base.py Fri Apr  4 17:29:43 2008
@@ -54,3 +54,23 @@
 
         # Raise the error.
         raise RelaxImplementError
+
+
+    def xh_vector(self, spin, structure=None, unit=True):
+        """Prototype method for calculating/extracting the XH vector from 
the loaded structure.
+
+        @param spin:        The spin system data container.
+        @type spin:         SpinContainer instance
+        @keyword structure: The structure number to get the XH vector from.  
If set to None and
+                            multiple structures exist, then the XH vector 
will be averaged across
+                            all structures.
+        @type structure:    int
+        @keyword unit:      A flag which if set will cause the function to 
return the unit XH vector
+                            rather than the full vector.
+        @type unit:         bool
+        @return:            The XH vector (or unit vector if the unit flag 
is set).
+        @rtype:             list or None
+        """
+
+        # Raise the error.
+        raise RelaxImplementError