r8981 - /1.3/generic_fns/spectrum.py -- March 18, 2009 - 16:04

Author: bugman
Date: Wed Mar 18 15:48:09 2009
New Revision: 8981

URL: http://svn.gna.org/viewcvs/relax?rev=8981&view=rev
Log:
Bug fix!

Debugged intensity_sparky() to handle a Sparky assignment such as '004N-H'.


Modified:
    1.3/generic_fns/spectrum.py

Modified: 1.3/generic_fns/spectrum.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/spectrum.py?rev=8981&r1=8980&r2=8981&view=diff
==============================================================================
--- 1.3/generic_fns/spectrum.py (original)
+++ 1.3/generic_fns/spectrum.py Wed Mar 18 15:48:09 2009
@@ -552,23 +552,30 @@
     intensity = ''
     if line[0]!='?-?':
         assignment = split('([A-Z]+)', line[0])
-        assignment = assignment[1:-1]
-
-    # The residue number.
+        if assignment[0] == '':
+            assignment = assignment[1:]
+        if assignment[-1] == '':
+            assignment = assignment[:-1]
         try:
-            res_num = int(assignment[1])
+            int(assignment[0])
+        except ValueError:
+            assignment = assignment[1:]
+
+        # The residue number.
+        try:
+            res_num = int(assignment[0])
         except:
             raise RelaxError, "Improperly formatted Sparky file."
 
-    # Nuclei names.
-        x_name = assignment[2]
-        h_name = assignment[4]
-
-    # The peak intensity column.
+        # Nuclei names.
+        x_name = assignment[1]
+        h_name = assignment[3]
+
+        # The peak intensity column.
         if int_col == None:
             int_col = 3
 
-    # Intensity.
+        # Intensity.
         try:
             intensity = float(line[int_col])
         except ValueError: