mailr19450 - /trunk/pipe_control/plotting.py


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Posted by edward on April 11, 2013 - 10:33:
Author: bugman
Date: Thu Apr 11 10:33:20 2013
New Revision: 19450

URL: http://svn.gna.org/viewcvs/relax?rev=19450&view=rev
Log:
Changed how pipe_control.plotting.assemble_data_seq_value() determines the 
number of graph sets.

Instead of counting the maximum number of spins per residue, different spin 
names are now checked
across the sequence.  This is needed as a single residue could have a 
different type of spin.  This
was caught by the Mf.test_dauvergne_protocol system test.


Modified:
    trunk/pipe_control/plotting.py

Modified: trunk/pipe_control/plotting.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/plotting.py?rev=19450&r1=19449&r2=19450&view=diff
==============================================================================
--- trunk/pipe_control/plotting.py (original)
+++ trunk/pipe_control/plotting.py Thu Apr 11 10:33:20 2013
@@ -29,7 +29,7 @@
 # relax module imports.
 from lib.errors import RelaxError
 from pipe_control import minimise
-from pipe_control.mol_res_spin import count_max_spins_per_residue, spin_loop
+from pipe_control.mol_res_spin import spin_loop
 import specific_analyses
 
 
@@ -254,10 +254,15 @@
     x_err_flag = False
     y_err_flag = False
 
+    # Count the different spin types.
+    spin_names = []
+    for spin, mol_name, res_num, res_name, id in spin_loop(full_info=True, 
selection=spin_id, return_id=True, skip_desel=True):
+        # A new spin name.
+        if spin.name not in spin_names:
+            spin_names.append(spin.name)
+
     # The number of data sets.
-    set_count = 1
-    if x_data_name == 'res_num' or y_data_name == 'res_num':
-        set_count = count_max_spins_per_residue(spin_id=spin_id)
+    set_count = len(spin_names)
 
     # Expand the data structures for the number of sets.
     if set_count > 1:
@@ -278,12 +283,7 @@
         points = 1
 
     # Loop over the spins.
-    spin_names = []
     for spin, mol_name, res_num, res_name, id in spin_loop(full_info=True, 
selection=spin_id, return_id=True, skip_desel=True):
-        # A new spin name.
-        if spin.name not in spin_names:
-            spin_names.append(spin.name)
-
         # The set index.
         set_index = spin_names.index(spin.name)
 




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