mailr12546 - /branches/bruker_import/generic_fns/pdc.py


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Posted by edward on February 18, 2011 - 10:23:
Author: bugman
Date: Fri Feb 18 10:23:37 2011
New Revision: 12546

URL: http://svn.gna.org/viewcvs/relax?rev=12546&view=rev
Log:
The 'Labelling' line from the PDC file is now used to set the heteronucleus 
type and spin name.


Modified:
    branches/bruker_import/generic_fns/pdc.py

Modified: branches/bruker_import/generic_fns/pdc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bruker_import/generic_fns/pdc.py?rev=12546&r1=12545&r2=12546&view=diff
==============================================================================
--- branches/bruker_import/generic_fns/pdc.py (original)
+++ branches/bruker_import/generic_fns/pdc.py Fri Feb 18 10:23:37 2011
@@ -139,5 +139,14 @@
             # Set the value (not implemented yet).
             continue
 
+        # The labelling.
+        if len(line) == 2 and line[0] == 'Labelling:':
+            # Set the heteronucleus value.
+            value.set(line[1], 'heteronucleus')
+
+            # Name the spins.
+            name = split('([A-Z]+)', line[1])[1]
+            name_spin(name=name)
+
     # Pack the data.
     pack_data(ri_label, frq_label, frq, values, errors, ids=res_nums)




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