r8430 - /branches/relax_disp/specific_fns/relax_disp.py -- January 13, 2009 - 14:51

Author: semor
Date: Tue Jan 13 14:51:31 2009
New Revision: 8430

URL: http://svn.gna.org/viewcvs/relax?rev=8430&view=rev
Log:
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_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=8430&r1=8429&r2=8430&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Tue Jan 13 14:51:31 2009
@@ -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