r25122 - /trunk/auto_analyses/relax_disp.py -- August 20, 2014 - 21:06

Author: tlinnet
Date: Wed Aug 20 21:06:31 2014
New Revision: 25122

URL: http://svn.gna.org/viewcvs/relax?rev=25122&view=rev
Log:
Implemented the special flag '1 - pA', when nesting parameters from models 
with fewer chemical sites.

Modified:
    trunk/auto_analyses/relax_disp.py

Modified: trunk/auto_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_disp.py?rev=25122&r1=25121&r2=25122&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py   (original)
+++ trunk/auto_analyses/relax_disp.py   Wed Aug 20 21:06:31 2014
@@ -363,16 +363,23 @@
             if param_conv == None:
                 continue
 
-            else:
-                print("Copying parameter %s to %s." % (param, param_conv))
-
-                # Loop over the spins to copy the parameters.
-                for spin, spin_id in spin_loop(return_id=True, 
skip_desel=True):
-                    # Get the nested spin.
-                    nested_spin = return_spin(spin_id=spin_id, 
pipe=nested_pipe)
-
-                    # Set the attribute.
-                    setattr(spin, param, deepcopy(getattr(nested_spin, 
param_conv)))
+            print("Copying from parameter '%s' to '%s'." % (param_conv, 
param))
+
+            # Loop over the spins to copy the parameters.
+            for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
+                # Get the nested spin.
+                nested_spin = return_spin(spin_id=spin_id, pipe=nested_pipe)
+
+                # Set value.
+                # Some special conversions.
+                if param_conv == '1 - pA':
+                    val = 1.0 - getattr(nested_spin, 'pA')
+
+                else:
+                    val = deepcopy(getattr(nested_spin, param_conv))
+
+                # Set the attribute.
+                setattr(spin, param, val)
 
         # Determine if model is equivalent, and should not be Grid searched, 
or if nested, and some parameters are pre-set. Here Grid search should still 
be issued.
         return equivalent