Author: tlinnet
Date: Mon Oct 13 18:19:38 2014
New Revision: 26263
URL: http://svn.gna.org/viewcvs/relax?rev=26263&view=rev
Log:
Narrowed in dx_map in systemtest
Relax_disp.test_dx_map_clustered_create_par_file()
This is to illustrate the failure of relax finding the global minimum.
It seems there is a shallow barrier, which relax failed to climb over, in order
to find the minimum value.
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=26263&r1=26262&r2=26263&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Mon Oct 13 18:19:38 2014
@@ -3204,9 +3204,7 @@
self.assertAlmostEqual(pre_chi2, calc_chi2)
# Define dx.map settings.
- dx_inc = 2
- dx_inc_sides = dx_inc / 2
-
+ dx_inc = 5
dx_params = ['dw', 'k_AB', 'r2a']
dx_point_clustered_min = [cur_spin.dw, cur_spin.k_AB, cur_spin.r2a['SQ
CPMG - 499.86214000 MHz']]
@@ -3220,36 +3218,15 @@
file_name_map = "%s_map%s" % (cur_model, cur_spin_id_str)
file_name_point = "%s_point%s" % (cur_model, cur_spin_id_str)
- # Step-size of parameter is 10 %
- param_delta = 0.1
-
# Determine bounds for lower and upper
- #lower = [0.0, 0.0, 5.0]
- #upper = [20.0, 6.0, 15.0]
-
- lower = []
- upper = []
- for i, param_val in enumerate(dx_point_clustered_min):
- param = dx_params[i]
- step_val = param_delta * param_val
- step_length = step_val * dx_inc_sides
-
- # Calculate value
- low_val = param_val - step_length
- lower.append(low_val)
-
- upp_val = param_val + step_length
- upper.append(upp_val)
-
- print("For param %s, lower=%3.3f, upper=%3.3f, step_value=%3.3f,
steps=%i, centered at=%3.3f"% (param, low_val, upp_val, step_val, dx_inc,
param_val))
+ lower = [dx_point_clustered_min[0], dx_point_clustered_min[1],
dx_point_clustered_min[2]]
+ upper = [19.0, 2.4, 9.5]
# Define temporary folder.
result_dir = self.tmpdir
# For testing.
#result_dir = None
- #lower = None
- #upper = None
#self.interpreter.relax_disp.cluster(cluster_id='free spins',
spin_id=cur_spin_id)
# Then do the map.
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