r7593 - /1.3/generic_fns/intensity.py -- October 10, 2008 - 04:23

Author: semor
Date: Fri Oct 10 04:23:03 2008
New Revision: 7593

URL: http://svn.gna.org/viewcvs/relax?rev=7593&view=rev
Log:
Added more for the reading of intensities from a nmrview peak list.

There is still a need to fix the reading of the assignments which are of the 
format number.nucleus
(e.g. 22.HN).

Moreover, a functionality to chose whether the intensity or volume column is 
read could be added as
proposed in a post at: 
https://mail.gna.org/public/relax-devel/2008-10/msg00026.html
(Message-id: <48EE7028.6060409@xxxxxxxxx>).


Modified:
    1.3/generic_fns/intensity.py

Modified: 1.3/generic_fns/intensity.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/intensity.py?rev=7593&r1=7592&r2=7593&view=diff
==============================================================================
--- 1.3/generic_fns/intensity.py (original)
+++ 1.3/generic_fns/intensity.py Fri Oct 10 04:23:03 2008
@@ -173,9 +173,28 @@
     @raises RelaxError: When the expected peak intensity is not a float.
     """
 
-    # Print some texte indicating the unavailability of this function...
-    print "This function is still unavailable.\n"
-    sys.exit()
+    # The residue number
+    try:
+        res_num = int(line[2])
+    except ValueError:
+        raise RelaxError, "The peak list is invalid."
+
+    # Nuclei names.
+    x_name = line[9]
+    h_name = line[2]
+
+    # The peak intensity column.
+    if int_col == None:
+        int_col = 16
+
+    # Intensity.
+    try:
+        intensity = float(line[int_col])
+    except ValueError:
+        raise RelaxError, "The peak intensity value " + `intensity` + " from 
the line " + `line` + " is invalid."
+
+    # Return the data.
+    return res_num, h_name, x_name, intensity
 
 
 def number_of_header_lines(file_data, format, int_col, intensity):