mailr20256 - /trunk/pipe_control/spectrum.py


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Posted by edward on June 24, 2013 - 12:29:
Author: bugman
Date: Mon Jun 24 12:29:40 2013
New Revision: 20256

URL: http://svn.gna.org/viewcvs/relax?rev=20256&view=rev
Log:
Added function destination for auto-detected NMRPipe SeriesTab format.

Progress sr #3043: (https://gna.org/support/index.php?3043) - Support for 
NMRPipe seriesTab format
*.ser.

Auto-detected NMRPipe SeriesTab format make function calls to the file: 
lib\software\nmrpipe.py in
function nmrpipe.read_list_intensity_seriestab().


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=20256&r1=20255&r2=20256&view=diff
==============================================================================
--- trunk/pipe_control/spectrum.py (original)
+++ trunk/pipe_control/spectrum.py Mon Jun 24 12:29:40 2013
@@ -655,6 +655,22 @@
             # Replace the data.
             intensity_data[i][2] = spin_id
 
+    # NMRPipe SeriesTab.
+    elif format == 'seriestab':
+        # Print out.
+        print("NMRPipe SeriesTab formatted data file.\n")
+
+        # 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.
+        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
+
     # Sparky.
     elif format == 'sparky':
         # Print out.




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