mailr7797 - /1.3/generic_fns/intensity.py


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Posted by sebastien . morin . 1 on October 17, 2008 - 19:53:
Author: semor
Date: Fri Oct 17 19:53:53 2008
New Revision: 7797

URL: http://svn.gna.org/viewcvs/relax?rev=7797&view=rev
Log:
Started the implementation of a generic peak intensities file.

This follows a thread 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=7797&r1=7796&r2=7797&view=diff
==============================================================================
--- 1.3/generic_fns/intensity.py (original)
+++ 1.3/generic_fns/intensity.py Fri Oct 17 19:53:53 2008
@@ -71,6 +71,24 @@
 
             # Don't continue (waste of time).
             break
+
+
+def intensity_generic(line, int_col):
+    """Function for returning relevant data from the generic peak intensity 
line.
+
+    The residue number, heteronucleus and proton names, and peak intensity 
will be returned.
+
+
+    @param line:        The single line of information from the intensity 
file.
+    @type line:         list of str
+    @keyword int_col:   The column containing the peak intensity data (for a 
non-standard formatted
+                        file).
+    @type int_col:      int
+    @raises RelaxError: When the expected peak intensity is not a float.
+    """
+
+
+    # Not implemented yet...
 
 
 def intensity_sparky(line, int_col):
@@ -311,6 +329,14 @@
     if format not in format_list:
         raise RelaxArgNotInListError, ('format', format, format_list)
 
+    # Generic.
+    if format == 'generic':
+        # Print out.
+        print "Generic formatted data file.\n"
+
+        # Set the intensity reading function.
+        intensity_fn = intensity_generic
+
     # Sparky.
     if format == 'sparky':
         # Print out.




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