Hi,
Until dfunc_*() functions are added to the
target_functions.relax_disp.Relax_disp target function class, the
Method of Multipliers algorithm will not work. In such cases, the
Log-barrier method is required. The exponential curve-fitting of the
'R2eff' model, which is not part of the relaxation dispersion target
function class as it uses the curve-fitting C modules, is an
exception.
Regards,
Edward
On 1 September 2014 14:20, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Mon Sep 1 14:20:08 2014
New Revision: 25497
URL: http://svn.gna.org/viewcvs/relax?rev=25497&view=rev
Log:
Initial try to reach constrained methods in minfx through relax.
This is in systemtest Relax_disp.verify_estimate_r2eff_err_compare_mc()
This though not seem to be supported.
Modified:
trunk/test_suite/system_tests/relax_disp.py
Modified: trunk/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=25497&r1=25496&r2=25497&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Mon Sep 1 14:20:08 2014
@@ -7999,9 +7999,15 @@
# Set algorithm.
min_algor = 'Newton'
- constraints = False
+ constraints = True
+ if constraints:
+ min_options = ('%s'%(min_algor),)
+ #min_algor = 'Log barrier'
+ min_algor = 'Method of Multipliers'
+ else:
+ min_options = ()
min_options = ()
- sim_boot = 2000
+ sim_boot = 200
scaling_list = [1.0, 1.0]
# Minimise.
@@ -8123,7 +8129,7 @@
# Make Carlo Simulations number
- mc_number_list = range(0, 2400, 400)
+ mc_number_list = range(0, 1000, 250)
sim_attr_list = ['chi2_sim', 'f_count_sim', 'g_count_sim',
'h_count_sim', 'i0_sim', 'iter_sim', 'peak_intensity_sim', 'r2eff_sim',
'select_sim', 'warning_sim']
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Re: r25497 - /trunk/test_suite/system_tests/relax_disp.py