r25805 - /branches/frame_order_cleanup/specific_analyses/frame_order/data.py -- September 12, 2014 - 17:13

Author: bugman
Date: Fri Sep 12 17:13:19 2014
New Revision: 25805

URL: http://svn.gna.org/viewcvs/relax?rev=25805&view=rev
Log:
Modified the pivot position checking in 
specific_analyses.frame_order.data.generate_pivot().

Now the pivot is shifted to be within the limits shrunk by 100 Angstrom.  
This allows any PDB
representation created by the frame_order.pdb_model user function to be 
within the PDB limits.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/data.py

Modified: branches/frame_order_cleanup/specific_analyses/frame_order/data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/data.py?rev=25805&r1=25804&r2=25805&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/data.py  
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/data.py  Fri 
Sep 12 17:13:19 2014
@@ -172,17 +172,17 @@
         # Check each coordinate.
         out = False
         for i in range(3):
-            if pivot[i] <= -1000.0:
-                pivot[i] = -950.0
+            if pivot[i] <= -900.0:
+                pivot[i] = -900.0
                 out = True
-            elif pivot[i] > 10000.0:
-                pivot[i] = 9500.0
+            elif pivot[i] > 9900.0:
+                pivot[i] = 9900.0
                 out = True
 
         # Failure.
         if out:
             new_pivot = "[%.3f, %.3f, %.3f]" % (pivot[0], pivot[1], pivot[2])
-            warn(RelaxWarning("The pivot point %s is outside of the PDB 
coordinate limits of [-999.999, 9999.999], shifting to %s." % (orig_pivot, 
new_pivot)))
+            warn(RelaxWarning("The pivot point %s is outside of the PDB 
coordinate limits of [-999.999, 9999.999], less a 100 Angstrom buffer, 
shifting to %s." % (orig_pivot, new_pivot)))
 
     # Return the pivot.
     return pivot