r19222 - /branches/relax_disp/specific_analyses/relax_disp.py -- March 27, 2013 - 14:42

Author: bugman
Date: Wed Mar 27 14:42:37 2013
New Revision: 19222

URL: http://svn.gna.org/viewcvs/relax?rev=19222&view=rev
Log:
Ported r8430 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8429:8430 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp/specific_fns/@r18123
 specific_analyses

.....
  r8430 | semor | 2009-01-13 14:51:31 +0100 (Tue, 13 Jan 2009) | 7 lines
  Changed paths:
     M /branches/relax_disp/specific_fns/relax_disp.py
  
  Completed the scaling matrix code.
  
  This follows a thread at:
  https://mail.gna.org/public/relax-devel/2009-01/msg00073.html
  (Message-id: <496C09F1.1000307@xxxxxxxxx>)
.....


Modified:
    branches/relax_disp/specific_analyses/relax_disp.py

Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19222&r1=19221&r2=19222&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Wed Mar 27 14:42:37 
2013
@@ -149,11 +149,55 @@
                 pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
 
                 # Scaling.
-                scaling_matrix[i, i] = 1.0 / average(spin.r2effs[pos])
-
-            # No scaling for other parameters.
-            else:
-                pass
+                scaling_matrix[i, i] = 1.0 / average(spin.r2eff[pos])
+
+            # Transversal relaxation rate scaling.
+            elif spin.params[i] == 'R2':
+                # Find the position of the first CPMG pulse train frequency 
point.
+                pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
+
+                # Scaling.
+                scaling_matrix[i, i] = 1.0 / average(spin.r2[pos])
+
+            # Chemical exchange contribution to 'R2' scaling.
+            elif spin.params[i] == 'Rex':
+                # Find the position of the first CPMG pulse train frequency 
point.
+                pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
+
+                # Scaling.
+                scaling_matrix[i, i] = 1.0 / average(spin.rex[pos])
+
+            # Exchange rate scaling.
+            elif spin.params[i] == 'kex':
+                # Find the position of the first CPMG pulse train frequency 
point.
+                pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
+
+                # Scaling.
+                scaling_matrix[i, i] = 1.0 / average(spin.kex[pos])
+
+            # Transversal relaxation rate for state A scaling
+            elif spin.params[i] == 'R2A':
+                # Find the position of the first CPMG pulse train frequency 
point.
+                pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
+
+                # Scaling.
+                scaling_matrix[i, i] = 1.0 / average(spin.r2a[pos])
+
+            # Exchange rate from state A to state B scaling.
+            elif spin.params[i] == 'kA':
+                # Find the position of the first CPMG pulse train frequency 
point.
+                pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
+
+                # Scaling.
+                scaling_matrix[i, i] = 1.0 / average(spin.ka[pos])
+
+            # Chemical shift difference between states A and B scaling.
+            elif spin.params[i] == 'dw':
+                # Find the position of the first CPMG pulse train frequency 
point.
+                pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
+
+                # Scaling.
+                scaling_matrix[i, i] = 1.0 / average(spin.dw[pos])
 
             # Increment i.
             i = i + 1