r20440 - /trunk/pipe_control/spectrum.py -- July 22, 2013 - 08:34

Author: bugman
Date: Mon Jul 22 08:34:04 2013
New Revision: 20440

URL: http://svn.gna.org/viewcvs/relax?rev=20440&view=rev
Log:
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for 
NMRPipe seriesTab format *.ser.

The Extraction of NMRPipe SeriesTab data is changed in 
pipe_control/spectrum.py in the read() function.


Modified:
    trunk/pipe_control/spectrum.py

Modified: trunk/pipe_control/spectrum.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/spectrum.py?rev=20440&r1=20439&r2=20440&view=diff
==============================================================================
--- trunk/pipe_control/spectrum.py (original)
+++ trunk/pipe_control/spectrum.py Mon Jul 22 08:34:04 2013
@@ -663,13 +663,35 @@
         # Extract the data.
         intensity_data = 
nmrpipe.read_list_intensity_seriestab(file_data=file_data, int_col=int_col)
 
-        # Convert the residue number to a spin ID.
+        # Loop over each spectrum
         for i in range(len(intensity_data)):
-            # Generate the spin_id.
-            spin_id = generate_spin_id_unique(res_num=intensity_data[i][2], 
spin_name=intensity_data[i][1])
-
-            # Replace the data.
-            intensity_data[i][2] = spin_id
+            spectrum = intensity_data[i][0]
+
+            # Get the spectrum name
+            spectrum_name = intensity_data[i][1]
+
+            #Loop over each spin in the spectrum information
+            for j in range(len(spectrum)):
+                # Extract spin information
+                spin =  spectrum[j]
+
+                # Extract proton info
+                h_name = spin[0]
+
+                # Extract heteronucleus info
+                x_name = spin[1]
+
+                # Extract the residue number
+                res_num = spin[2]
+
+                # Extract the Intensity
+                intensity = spin[3]
+
+                # Generate the spin_id.
+                spin_id = generate_spin_id_unique(res_num=res_num, 
spin_name=x_name)
+
+                # Replace residue number with the spin_id.
+                intensity_data[i][0][j][2] = spin_id
 
     # Sparky.
     elif format == 'sparky':