r24833 - /branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/auto_analysis_to_rigid.py -- July 30, 2014 - 14:27

Author: bugman
Date: Wed Jul 30 14:27:47 2014
New Revision: 24833

URL: http://svn.gna.org/viewcvs/relax?rev=24833&view=rev
Log:
Speed up of the Frame_order.test_auto_analysis system test.

This involves limiting the maximum number of optimisation steps to 20 for 
most parts (the rigid
model excluded so the average domain position is correctly found), and using 
the PCS subset data for
the full data set.


Modified:
    
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/auto_analysis_to_rigid.py

Modified: 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/auto_analysis_to_rigid.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/auto_analysis_to_rigid.py?rev=24833&r1=24832&r2=24833&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/auto_analysis_to_rigid.py
      (original)
+++ 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/auto_analysis_to_rigid.py
      Wed Jul 30 14:27:47 2014
@@ -54,21 +54,22 @@
 
 # Rigid model optimisation setup.
 OPT_RIGID = Optimisation_settings()
-OPT_RIGID.add_grid(inc=4, num_int_pts=1)
+OPT_RIGID.add_grid(inc=8, zoom=0)
+OPT_RIGID.add_min(min_algor='simplex', func_tol=1e-2)
 
 # PCS subset optimisation setup.
 OPT_SUBSET = Optimisation_settings()
 OPT_SUBSET.add_grid(inc=2, num_int_pts=1)
-OPT_SUBSET.add_min(min_algor='simplex', func_tol=1e-2, num_int_pts=1)
+OPT_SUBSET.add_min(min_algor='simplex', func_tol=1e-2, max_iter=20, 
num_int_pts=1)
 
 # Full data set optimisation setup.
 OPT_FULL = Optimisation_settings()
 OPT_FULL.add_grid(inc=2, num_int_pts=1)
-OPT_FULL.add_min(min_algor='simplex', func_tol=1e-2, num_int_pts=1)
+OPT_FULL.add_min(min_algor='simplex', func_tol=1e-2, max_iter=20, 
num_int_pts=1)
 
 # Monte Carlo simulation optimisation setup.
 OPT_MC = Optimisation_settings()
-OPT_MC.add_min(min_algor='simplex', func_tol=1e-2, num_int_pts=1)
+OPT_MC.add_min(min_algor='simplex', func_tol=1e-2, max_iter=20, 
num_int_pts=1)
 
 
 # Set up the base data pipes.
@@ -103,10 +104,10 @@
 # The lanthanides and data files.
 ln = ['dy', 'tb', 'tm', 'er']
 pcs_files = [
-    'pcs_dy.txt',
-    'pcs_tb.txt', 
-    'pcs_tm.txt', 
-    'pcs_er.txt'
+    'pcs_dy_subset.txt',
+    'pcs_tb_subset.txt', 
+    'pcs_tm_subset.txt', 
+    'pcs_er_subset.txt'
 ]
 pcs_files_subset = [
     'pcs_dy_subset.txt',