r20180 - /trunk/pipe_control/rdc.py -- June 17, 2013 - 15:51

Author: bugman
Date: Mon Jun 17 15:51:40 2013
New Revision: 20180

URL: http://svn.gna.org/viewcvs/relax?rev=20180&view=rev
Log:
The rdc.corr_plot user function can now handled T=J+D type data.


Modified:
    trunk/pipe_control/rdc.py

Modified: trunk/pipe_control/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/rdc.py?rev=20180&r1=20179&r2=20180&view=diff
==============================================================================
--- trunk/pipe_control/rdc.py (original)
+++ trunk/pipe_control/rdc.py Mon Jun 17 15:51:40 2013
@@ -330,6 +330,11 @@
         # Append a new list for this alignment.
         data.append([])
 
+        # T-type data.
+        j_flag = False
+        if hasattr(cdp, 'rdc_data_types') and align_id in cdp.rdc_data_types 
and cdp.rdc_data_types[align_id] == 'T':
+            j_flag = True
+
         # Errors present?
         err_flag = False
         for interatom in interatomic_loop():
@@ -345,7 +350,12 @@
                 continue
 
             # Append the data.
-            data[-1].append([convert(interatom.rdc_bc[align_id], align_id), 
convert(interatom.rdc[align_id], align_id)])
+            rdc_bc = convert(interatom.rdc_bc[align_id], align_id)
+            rdc = convert(interatom.rdc[align_id], align_id)
+            if j_flag:
+                rdc_bc -= interatom.j_coupling
+                rdc -= interatom.j_coupling
+            data[-1].append([rdc_bc, rdc])
 
             # Errors.
             if err_flag: