r21828 - /trunk/lib/spectrum/nmrpipe.py -- December 06, 2013 - 13:20

Author: tlinnet
Date: Fri Dec  6 13:20:23 2013
New Revision: 21828

URL: http://svn.gna.org/viewcvs/relax?rev=21828&view=rev
Log:
If dimension 2 in a SeriesTab formatted file does not contain residue 
number+name, it defaults to the dimension 1.

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=21828&r1=21827&r2=21828&view=diff
==============================================================================
--- trunk/lib/spectrum/nmrpipe.py (original)
+++ trunk/lib/spectrum/nmrpipe.py Fri Dec  6 13:20:23 2013
@@ -110,9 +110,11 @@
         name2 = row2[-2] + row2[-1]
 
         # Get the residue number for dimension 1.
+        got_res_num1 = True
         try:
             res_num1 = int(row1[-3])
         except:
+            got_res_num1 = False
             raise RelaxError("Improperly formatted NMRPipe SeriesTab file, 
cannot process the residue number for dimension 1 in assignment: %s." % 
line[0])
 
         # Get the residue number for dimension 2.
@@ -120,22 +122,31 @@
             res_num2 = int(row2[-3])
         except:
             # We cannot always expect dimension 2 to have residue number.
-            warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, 
cannot process the residue number for dimension 2 in assignment: %s. Setting 
residue number to None." % line[0]))
-            res_num2 = None
+            if got_res_num1:
+                res_num2 = res_num1
+            else:
+                res_num2 = None
+                warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab 
file, cannot process the residue number for dimension 2 in assignment: %s. 
Setting residue number to %s." % (line[0], res_num2)))
 
         # The residue name for dimension 1.
+        got_res_name1 = True
         try:
             res_name1 = row1[-4]
         except:
-            warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, 
cannot process the residue name for dimension 1 in assignment: %s. Setting 
residue name to None." % line[0]))
+            got_res_name1 = False
             res_name1 = None
+            warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, 
cannot process the residue name for dimension 1 in assignment: %s. Setting 
residue name to %s." % (line[0], res_name1)))
 
         # The residue name for dimension 2.
         try:
             res_name2 = row2[-4]
         except:
-            warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab file, 
cannot process the residue name for dimension 2 in assignment: %s. Setting 
residue name to None." % line[0]))
-            res_name2 = None
+            # We cannot always expect dimension 2 to have residue name.
+            if got_res_name1:
+                res_name2 = res_name1
+            else:
+                res_name2 = None
+                warn(RelaxWarning("Improperly formatted NMRPipe SeriesTab 
file, cannot process the residue name for dimension 2 in assignment: %s. 
Setting residue name to %s." % (line[0], res_name2)))
 
         # Get the intensities.
         try: