r15046 - in /branches/frame_order_testing: prompt/frame_order.py specific_fns/frame_order.py -- December 07, 2011 - 18:04

Author: bugman
Date: Wed Dec  7 18:04:11 2011
New Revision: 15046

URL: http://svn.gna.org/viewcvs/relax?rev=15046&view=rev
Log:
The frame_order.pivot user function now accepts the fix argument to allow the 
pivot to be fixed.

This is for optimisation.


Modified:
    branches/frame_order_testing/prompt/frame_order.py
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/prompt/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/prompt/frame_order.py?rev=15046&r1=15045&r2=15046&view=diff
==============================================================================
--- branches/frame_order_testing/prompt/frame_order.py (original)
+++ branches/frame_order_testing/prompt/frame_order.py Wed Dec  7 18:04:11 
2011
@@ -138,7 +138,7 @@
         frame_order_obj._domain_to_pdb(domain=domain, pdb=pdb)
 
 
-    def pivot(self, pivot=None):
+    def pivot(self, pivot=None, fix=False):
         """Set the pivot point for the two body motion in the structural 
coordinate system.
 
         Keyword Arguments
@@ -147,6 +147,8 @@
         pivot:  The pivot point for the motion (e.g. the position between 
the 2 domains in PDB
             coordinates).
 
+        fix:  A flag specifying if the pivot point should be fixed during 
optimisation.
+
 
         Examples
         ~~~~~~~~
@@ -160,14 +162,16 @@
         # Function intro text.
         if self._exec_info.intro:
             text = self._exec_info.ps3 + "frame_order.pivot("
-            text = text + "pivot=" + repr(pivot) + ")"
+            text = text + "pivot=" + repr(pivot)
+            text = text + ", fix=" + repr(fix) + ")"
             print(text)
 
         # The argument checks.
         arg_check.is_num_list(pivot, 'pivot point', size=3)
-
-        # Execute the functional code.
-        frame_order_obj._pivot(pivot=pivot)
+        arg_check.is_bool(fix, 'fix flag')
+
+        # Execute the functional code.
+        frame_order_obj._pivot(pivot=pivot, fix=fix)
 
 
     def ref_domain(self, ref=None):

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=15046&r1=15045&r2=15046&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Wed Dec  7 
18:04:11 2011
@@ -935,19 +935,21 @@
         return num
 
 
-    def _pivot(self, pivot=None):
+    def _pivot(self, pivot=None, fix=None):
         """Set the pivot point for the 2 body motion.
 
-        @param pivot:   The pivot point of the two bodies (domains, etc.) in 
the structural
-                        coordinate system.
+        @keyword pivot: The pivot point of the two bodies (domains, etc.) in 
the structural coordinate system.
         @type pivot:    list of num
+        @keyword fix:   A flag specifying if the pivot point should be fixed 
during optimisation.
+        @type fix:      bool
         """
 
         # Test if the current data pipe exists.
         pipes.test()
 
-        # Set the pivot point.
+        # Set the pivot point and fixed flag.
         cdp.pivot = pivot
+        cdp.pivot_fixed = fix
 
         # Convert to floats.
         for i in range(3):