r9560 - /1.3/specific_fns/relax_fit.py -- September 22, 2009 - 15:00

Author: bugman
Date: Tue Sep 22 15:00:25 2009
New Revision: 9560

URL: http://svn.gna.org/viewcvs/relax?rev=9560&view=rev
Log:
Another clean out of the grid search setup.


Modified:
    1.3/specific_fns/relax_fit.py

Modified: 1.3/specific_fns/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_fit.py?rev=9560&r1=9559&r2=9560&view=diff
==============================================================================
--- 1.3/specific_fns/relax_fit.py (original)
+++ 1.3/specific_fns/relax_fit.py Tue Sep 22 15:00:25 2009
@@ -454,32 +454,30 @@
         elif isinstance(inc, int):
             inc = [inc]*n
 
-        # Minimisation options initialisation.
-        default_bounds = False
+        # Set up the default bounds.
         if not lower:
+            # Init.
             lower = []
-            default_bounds = True
-        if not upper:
             upper = []
-        j = 0
-
-        # Loop over the parameters.
-        for i in xrange(len(spin.params)):
-            # Relaxation rate (from 0 to 20 s^-1).
-            if spin.params[i] == 'Rx' and default_bounds:
-                lower.append(0.0)
-                upper.append(20.0)
-
-            # Intensity
-            elif search('^I', spin.params[i]) and default_bounds:
-                # Find the position of the first time point.
-                pos = cdp.relax_times.index(min(cdp.relax_times))
-
-                # Defaults.
-                lower.append(0.0)
-                upper.append(average(spin.intensities[pos]))
-
-            # Parameter scaling.
+
+            # Loop over the parameters.
+            for i in range(n):
+                # Relaxation rate (from 0 to 20 s^-1).
+                if spin.params[i] == 'Rx':
+                    lower.append(0.0)
+                    upper.append(20.0)
+    
+                # Intensity
+                elif search('^I', spin.params[i]):
+                    # Find the position of the first time point.
+                    pos = cdp.relax_times.index(min(cdp.relax_times))
+    
+                    # Defaults.
+                    lower.append(0.0)
+                    upper.append(average(spin.intensities[pos]))
+    
+        # Parameter scaling.
+        for i in range(n):
             lower[i] = lower[i] / scaling_matrix[i, i]
             upper[i] = upper[i] / scaling_matrix[i, i]