r9415 - /1.3/specific_fns/frame_order.py -- August 31, 2009 - 18:08

Author: bugman
Date: Mon Aug 31 18:08:22 2009
New Revision: 9415

URL: http://svn.gna.org/viewcvs/relax?rev=9415&view=rev
Log:
Fix for the turning off of minimisation constraints.

The algorithm needs to also change.


Modified:
    1.3/specific_fns/frame_order.py

Modified: 1.3/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/frame_order.py?rev=9415&r1=9414&r2=9415&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Mon Aug 31 18:08:22 2009
@@ -28,6 +28,7 @@
 from math import pi
 from minfx.generic import generic_minimise
 from numpy import array, float64, ones, transpose, zeros
+from re import search
 from warnings import warn
 
 # relax module imports.
@@ -674,7 +675,15 @@
 
         # Constraints not implemented yet.
         if constraints:
+            # Turn the constraints off.
             constraints = False
+
+            # Remove the method of multipliers arg.
+            if not search('^[Gg]rid', min_algor):
+                min_algor = min_options[0]
+                min_options = min_options[1:]
+
+            # Throw a warning.
             warn(RelaxWarning("Constraints are as of yet not implemented - 
turning this option off."))
 
         # The rigid model.