r19769 - in /branches/relax_disp: ./ pipe_control/minimise.py specific_analyses/api_base.py specific_analyses/setup.py -- May 29, 2013 - 14:44

Author: bugman
Date: Wed May 29 14:44:47 2013
New Revision: 19769

URL: http://svn.gna.org/viewcvs/relax?rev=19769&view=rev
Log:
Merged revisions 19768 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r19768 | bugman | 2013-05-29 14:28:48 +0200 (Wed, 29 May 2013) | 7 lines
  
  Added the ability for specific analyses to override the optimisation 
constraint algorithm.
  
  The default is still the 'Method of Multipliers', but if the 
constraint_algorithm() method returns
  a different string, then that will be used to select the algorithm.  This 
allows the 'Log Barrier'
  method in minfx to be used.
........

Modified:
    branches/relax_disp/   (props changed)
    branches/relax_disp/pipe_control/minimise.py
    branches/relax_disp/specific_analyses/api_base.py
    branches/relax_disp/specific_analyses/setup.py

Propchange: branches/relax_disp/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Wed May 29 14:44:47 2013
@@ -1,1 +1,1 @@
-/trunk:1-19745
+/trunk:1-19768

Modified: branches/relax_disp/pipe_control/minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/pipe_control/minimise.py?rev=19769&r1=19768&r2=19769&view=diff
==============================================================================
--- branches/relax_disp/pipe_control/minimise.py (original)
+++ branches/relax_disp/pipe_control/minimise.py Wed May 29 14:44:47 2013
@@ -173,7 +173,10 @@
     # Re-package the minimisation algorithm, options, and constraints for 
the generic_minimise() calls within the specific code.
     if constraints:
         min_options = [min_algor]
-        min_algor = 'Method of Multipliers'
+
+        # Determine the constraint algorithm to use.
+        fn = specific_analyses.setup.get_specific_fn('constraint_algorithm', 
cdp.pipe_type)
+        min_algor = fn()
     else:
         min_options = []
     if line_search != None:

Modified: branches/relax_disp/specific_analyses/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/api_base.py?rev=19769&r1=19768&r2=19769&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/api_base.py (original)
+++ branches/relax_disp/specific_analyses/api_base.py Wed May 29 14:44:47 2013
@@ -122,6 +122,23 @@
 
         # Not implemented.
         raise RelaxImplementError('calculate')
+
+
+    def constraint_algorithm(self):
+        """Return the optimisation constraint algorithm, defaulting to the 
Method of Multipliers.
+
+        This can return one of:
+
+            - 'Method of Multipliers',
+            - 'Log barrier'.
+
+
+        @return:    The constraint algorithm to use (one of 'Method of 
Multipliers' or 'Log barrier').
+        @rtype:     str
+        """
+
+        # The default.
+        return 'Method of Multipliers'
 
 
     def create_mc_data(self, data_id=None):

Modified: branches/relax_disp/specific_analyses/setup.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/setup.py?rev=19769&r1=19768&r2=19769&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/setup.py (original)
+++ branches/relax_disp/specific_analyses/setup.py Wed May 29 14:44:47 2013
@@ -82,6 +82,10 @@
         if eqi == 'calculate':
             function = inst.calculate
 
+        # Optimisation constraint algorithm override.
+        if eqi == 'constraint_algorithm':
+            function = inst.constraint_algorithm
+
         # Create Monte Carlo data function.
         if eqi == 'create_mc_data':
             function = inst.create_mc_data