r13852 - /1.3/sample_scripts/generate_ri.py -- July 25, 2011 - 12:21

Author: bugman
Date: Mon Jul 25 12:21:13 2011
New Revision: 13852

URL: http://svn.gna.org/viewcvs/relax?rev=13852&view=rev
Log:
Fixes to the relaxation data generation sample script based on the changes of 
r13851.


Modified:
    1.3/sample_scripts/generate_ri.py

Modified: 1.3/sample_scripts/generate_ri.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/generate_ri.py?rev=13852&r1=13851&r2=13852&view=diff
==============================================================================
--- 1.3/sample_scripts/generate_ri.py (original)
+++ 1.3/sample_scripts/generate_ri.py Mon Jul 25 12:21:13 2011
@@ -45,8 +45,12 @@
         # Loop over the relaxation data.
         for ri_id in cdp.ri_ids:
             # No data.
-            if spin.ri_data[ri_id] == None:
+            if spin.ri_data_bc[ri_id] == None:
                 continue
+
+            # Set up the error relaxation data structure if needed.
+            if not hasattr(spin, 'ri_data_err'):
+                spin.ri_data_err = {}
 
             # 600 MHz NOE.
             if ri_id == 'NOE_600':
@@ -58,18 +62,18 @@
 
             # All other data.
             else:
-                spin.ri_data_err[ri_id] = spin.ri_data[ri_id] * 0.02
+                spin.ri_data_err[ri_id] = spin.ri_data_bc[ri_id] * 0.02
 
 
 def write():
     """Function for writing the relaxation data to file."""
 
-    relax_data.write(ri_id='NOE_600', ri_type='NOE', file='noe.600.out', 
force=True)
-    relax_data.write(ri_id='R1_600',  ri_type='R1',  file='r1.600.out', 
force=True)
-    relax_data.write(ri_id='R2_600',  ri_type='R2',  file='r2.600.out', 
force=True)
-    relax_data.write(ri_id='NOE_500', ri_type='NOE', file='noe.500.out', 
force=True)
-    relax_data.write(ri_id='R1_500',  ri_type='R1',  file='r1.500.out', 
force=True)
-    relax_data.write(ri_id='R2_500',  ri_type='R2',  file='r2.500.out', 
force=True)
+    relax_data.write(ri_id='NOE_600', file='noe.600.out', force=True)
+    relax_data.write(ri_id='R1_600',  file='r1.600.out', force=True)
+    relax_data.write(ri_id='R2_600',  file='r2.600.out', force=True)
+    relax_data.write(ri_id='NOE_500', file='noe.500.out', force=True)
+    relax_data.write(ri_id='R1_500',  file='r1.500.out', force=True)
+    relax_data.write(ri_id='R2_500',  file='r2.500.out', force=True)
 
 
 # Create the data pipe.