r8096 - /1.3/generic_fns/spectrum.py -- December 02, 2008 - 21:38

Author: semor
Date: Tue Dec  2 21:38:19 2008
New Revision: 8096

URL: http://svn.gna.org/viewcvs/relax?rev=8096&view=rev
Log:
Continued to implement the reading of the generic peak intensity file.

The code now calculates the number of delays (and associated intensities) 
input.

The remaining tasks include sorting the delays and intensities, which is 
different from when other
peak intensity files are used (e.g. XEasy, Sparky, nmrview) since the delays 
are part of the input
file header (in the case of the generic file).


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=8096&r1=8095&r2=8096&view=diff
==============================================================================
--- 1.3/generic_fns/spectrum.py (original)
+++ 1.3/generic_fns/spectrum.py Tue Dec  2 21:38:19 2008
@@ -424,8 +424,40 @@
     @raises RelaxError: When the expected peak intensity is not a float.
     """
 
-
-    # Not implemented yet...
+    # Determine the number of delays (and associated intensities).
+    i = 5
+    while 1:
+        i = i + 1
+        try:
+            current_field = line[i-1]
+        except:
+            num_delays = int(i - 6)
+            if num_delays == 0:
+                raise RelaxError, "Generic file with no associated delays 
(and intensities)."
+            break
+
+    # The residue number.
+    res_num = ''
+    try:
+        res_num = int(line[1])
+    except:
+        raise RelaxError, "Improperly formatted generic file."
+
+    # Nuclei names.
+    x_name = ''
+    x_name = line[4]
+    #h_name = ''
+    #h_name = line[5]
+
+    ## The peak intensity column.
+
+    ## 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 intensity_nmrview(line, int_col):