r21807 - /trunk/lib/spectrum/nmrpipe.py -- December 06, 2013 - 09:16

Author: tlinnet
Date: Fri Dec  6 09:16:34 2013
New Revision: 21807

URL: http://svn.gna.org/viewcvs/relax?rev=21807&view=rev
Log:
Extended reading of spin residue names from NMRPipe SeriesTab formatted file.

Work in progress for Support Request #3044, 
(https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

Modified:
    trunk/lib/spectrum/nmrpipe.py

Modified: trunk/lib/spectrum/nmrpipe.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/spectrum/nmrpipe.py?rev=21807&r1=21806&r2=21807&view=diff
==============================================================================
--- trunk/lib/spectrum/nmrpipe.py (original)
+++ trunk/lib/spectrum/nmrpipe.py Fri Dec  6 09:16:34 2013
@@ -111,7 +111,13 @@
         try:
             res_num = int(row1[-3])
         except:
-            raise RelaxError("Improperly formatted NMRPipe SeriesTab file., 
cannot process the assignment '%s'." % line[0])
+            raise RelaxError("Improperly formatted NMRPipe SeriesTab file, 
cannot process the assignment '%s'." % line[0])
+
+        # The residue name.
+        try:
+            res_name = row1[-4]
+        except:
+            raise RelaxError("Improperly formatted NMRPipe SeriesTab file, 
cannot process the assignment '%s' for residue name." % line[0])
 
         # Get the intensities.
         try:
@@ -126,4 +132,4 @@
             raise RelaxError("The peak intensity value %s from the line %s 
is invalid." % (intensity, line))
 
         # Add the assignment to the peak list object.
-        peak_list.add(res_nums=[res_num, res_num], spin_names=[name1, 
name2], intensity=intensities, intensity_name=spectra)
+        peak_list.add(res_nums=[res_num, res_num], res_names=[res_name, 
res_name], spin_names=[name1, name2], intensity=intensities, 
intensity_name=spectra)