r24732 - /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py -- July 24, 2014 - 19:01

Author: bugman
Date: Thu Jul 24 19:01:00 2014
New Revision: 24732

URL: http://svn.gna.org/viewcvs/relax?rev=24732&view=rev
Log:
Added lots of calls to the time user function to the 
frame_order_free_start.py.

This will be used to fine tune the frame order analysis on a cluster.


Modified:
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py?rev=24732&r1=24731&r2=24732&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py
 (original)
+++ 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py
 Thu Jul 24 19:01:00 2014
@@ -79,11 +79,13 @@
 frame_order.pivot([ 34.721619683345111,  -2.63891199102997 ,  
12.941974078087899], fix=False)
 
 # Zooming grid search (low quality for speed).
+time()
 frame_order.num_int_pts(num=1000)
 incs = 11
 for i in range(5):
     minimise.grid_zoom(i)
     minimise.grid_search(inc=[incs, incs, incs, None, None, None, None, 
None, None, incs, incs], skip_preset=False)
+    time()
 
 # Iterative optimisation with increasing precision.
 num_int_pts = [500, 1000]
@@ -91,6 +93,7 @@
 for i in range(len(num_int_pts)):
     frame_order.num_int_pts(num=num_int_pts[i])
     minimise.execute('simplex', func_tol=func_tol[i])
+    time()
 
 # Load the full PCS data set.
 for i in range(len(ln)):
@@ -102,6 +105,7 @@
 for i in range(len(num_int_pts)):
     frame_order.num_int_pts(num=num_int_pts[i])
     minimise.execute('simplex', func_tol=func_tol[i])
+    time()
 
 # Test Monte Carlo simulations.
 frame_order.num_int_pts(num=10000)
@@ -111,6 +115,7 @@
 minimise.execute('simplex', func_tol=1e-4)
 eliminate()
 monte_carlo.error_analysis()
+time()
 
 # Create the PDB representation.
 frame_order.pdb_model(ave_pos='ave_pos_free_start', 
rep='frame_order_free_start', dist=None, compress_type=2, force=True)