r8426 - /branches/relax_disp/specific_fns/relax_disp.py -- January 12, 2009 - 19:32

Author: semor
Date: Mon Jan 12 19:32:24 2009
New Revision: 8426

URL: http://svn.gna.org/viewcvs/relax?rev=8426&view=rev
Log:
Started to implement a function for calculating the effective transversal 
relaxation rate (R2eff).

Now, the good file has been modified, contrary to what happened in r8418 
(which was corrected in
r8420).

This follows a thread at:
https://mail.gna.org/public/relax-devel/2009-01/msg00067.html
(Message-id: <496B479D.3070304@xxxxxxxxx>)


Modified:
    branches/relax_disp/specific_fns/relax_disp.py

Modified: branches/relax_disp/specific_fns/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8426&r1=8425&r2=8426&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Mon Jan 12 19:32:24 2009
@@ -195,6 +195,22 @@
 
         # Return the correct peak height.
         return results[result_index]
+
+
+    def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, int_cpmg=0, 
int_ref=0):
+        """Calculate the effective transversal relaxation rate from the peak 
intensities. The
+        equation depends on the experiment type chosen, either 'cpmg' or 
'r1rho'.
+
+        If 'cpmg' is chosen, the equation used is:
+        r2eff = - ( 1 / delayT ) * log ( int_cpmg / int_ref )
+
+        If 'r1rho' is chosen, nothing happens yet, as the code is not 
implemented.
+        """
+
+        if exp_type == 'cpmg':
+            r2eff = - ( 1 / delayT ) * log ( int_cpmg / int_ref )
+
+        return r2eff
 
 
     def cpmg_frq(self, cpmg_frq=None, spectrum_id=None):