r16071 - in /branches/uf_redesign: generic_fns/minimise.py user_functions/minimisation.py -- May 07, 2012 - 19:55

Author: bugman
Date: Mon May  7 19:55:18 2012
New Revision: 16071

URL: http://svn.gna.org/viewcvs/relax?rev=16071&view=rev
Log:
Fix for the auto-generated minimise user function - the max_iter argument was 
a mess!


Modified:
    branches/uf_redesign/generic_fns/minimise.py
    branches/uf_redesign/user_functions/minimisation.py

Modified: branches/uf_redesign/generic_fns/minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/generic_fns/minimise.py?rev=16071&r1=16070&r2=16071&view=diff
==============================================================================
--- branches/uf_redesign/generic_fns/minimise.py (original)
+++ branches/uf_redesign/generic_fns/minimise.py Mon May  7 19:55:18 2012
@@ -139,7 +139,7 @@
         grid_search(lower=lower, upper=upper, inc=inc, 
constraints=constraints, verbosity=verbosity)
 
 
-def minimise(min_algor=None, line_search=None, hessian_mod=None, 
hessian_type=None, func_tol=None, grad_tol=None, max_iterations=None, 
constraints=True, scaling=True, verbosity=1, sim_index=None):
+def minimise(min_algor=None, line_search=None, hessian_mod=None, 
hessian_type=None, func_tol=None, grad_tol=None, max_iter=None, 
constraints=True, scaling=True, verbosity=1, sim_index=None):
     """Minimisation function.
 
     @keyword min_algor:         The minimisation algorithm to use.
@@ -154,8 +154,8 @@
     @type func_tol:             None or float
     @keyword grad_tol:          The gradient tolerance which, when reached, 
terminates optimisation.  Setting this to None turns of the check.
     @type grad_tol:             None or float
-    @keyword max_iterations:    The maximum number of iterations for the 
algorithm.
-    @type max_iterations:       int
+    @keyword max_iter:          The maximum number of iterations for the 
algorithm.
+    @type max_iter:             int
     @keyword constraints:       If True, constraints are used during 
optimisation.
     @type constraints:          bool
     @keyword scaling:           If True, diagonal scaling is enabled during 
optimisation to allow the problem to be better conditioned.
@@ -192,7 +192,7 @@
 
     # Single Monte Carlo simulation.
     if sim_index != None:
-        minimise(min_algor=min_algor, min_options=min_options, 
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations, 
constraints=constraints, scaling=scaling, verbosity=verbosity, 
sim_index=sim_index)
+        minimise(min_algor=min_algor, min_options=min_options, 
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iter, 
constraints=constraints, scaling=scaling, verbosity=verbosity, 
sim_index=sim_index)
 
     # Monte Carlo simulation minimisation.
     elif hasattr(cdp, 'sim_state') and cdp.sim_state == 1:
@@ -208,7 +208,7 @@
                 status.mc_number = i
 
             # Optimisation.
-            minimise(min_algor=min_algor, min_options=min_options, 
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations, 
constraints=constraints, scaling=scaling, verbosity=verbosity-1, sim_index=i)
+            minimise(min_algor=min_algor, min_options=min_options, 
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iter, 
constraints=constraints, scaling=scaling, verbosity=verbosity-1, sim_index=i)
 
         # Unset the status.
         if status.current_analysis:
@@ -218,7 +218,7 @@
 
     # Standard minimisation.
     else:
-        minimise(min_algor=min_algor, min_options=min_options, 
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations, 
constraints=constraints, scaling=scaling, verbosity=verbosity)
+        minimise(min_algor=min_algor, min_options=min_options, 
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iter, 
constraints=constraints, scaling=scaling, verbosity=verbosity)
 
 
 def reset_min_stats(data_pipe=None, spin=None):

Modified: branches/uf_redesign/user_functions/minimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/user_functions/minimisation.py?rev=16071&r1=16070&r2=16071&view=diff
==============================================================================
--- branches/uf_redesign/user_functions/minimisation.py (original)
+++ branches/uf_redesign/user_functions/minimisation.py Mon May  7 19:55:18 
2012
@@ -232,7 +232,7 @@
     can_be_none = True
 )
 uf.add_keyarg(
-    name = "max_iterations",
+    name = "max_iter",
     default = 10000000,
     py_type = "int",
     desc_short = "maximum number of iterations",