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",
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits
