r24474 - /branches/frame_order_cleanup/auto_analyses/frame_order.py -- July 07, 2014 - 16:57

Author: bugman
Date: Mon Jul  7 16:57:24 2014
New Revision: 24474

URL: http://svn.gna.org/viewcvs/relax?rev=24474&view=rev
Log:
Changed some of the default values for the frame order auto-analysis.

The number of Sobol' quasi-random integration points were far too low to 
obtain any reasonable
results.


Modified:
    branches/frame_order_cleanup/auto_analyses/frame_order.py

Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/auto_analyses/frame_order.py?rev=24474&r1=24473&r2=24474&view=diff
==============================================================================
--- branches/frame_order_cleanup/auto_analyses/frame_order.py   (original)
+++ branches/frame_order_cleanup/auto_analyses/frame_order.py   Mon Jul  7 
16:57:24 2014
@@ -42,7 +42,7 @@
 class Frame_order_analysis:
     """The frame order auto-analysis protocol."""
 
-    def __init__(self, data_pipe_full=None, data_pipe_subset=None, 
pipe_bundle=None, results_dir=None, grid_inc=11, grid_inc_rigid=21, 
min_algor='simplex', num_int_pts_grid=50, num_int_pts_subset=[20, 100], 
func_tol_subset=[1e-2, 1e-2], num_int_pts_full=[100, 1000, 10000, 100000], 
func_tol_full=[1e-2, 1e-3, 5e-3, 1e-4], mc_sim_num=500, mc_int_pts=1000, 
mc_func_tol=1e-3, models=['rigid', 'free rotor', 'rotor', 'iso cone, free 
rotor', 'iso cone, torsionless', 'iso cone', 'pseudo-ellipse, torsionless', 
'pseudo-ellipse']):
+    def __init__(self, data_pipe_full=None, data_pipe_subset=None, 
pipe_bundle=None, results_dir=None, grid_inc=11, grid_inc_rigid=21, 
min_algor='simplex', num_int_pts_grid=200, num_int_pts_subset=[500, 1000], 
func_tol_subset=[1e-2, 1e-3], num_int_pts_full=[500, 1000, 10000, 100000], 
func_tol_full=[1e-2, 1e-3, 5e-3, 1e-4], mc_sim_num=500, mc_int_pts=10000, 
mc_func_tol=1e-3, models=['rigid', 'free rotor', 'rotor', 'iso cone, free 
rotor', 'iso cone, torsionless', 'iso cone', 'pseudo-ellipse, torsionless', 
'pseudo-ellipse']):
         """Perform the full frame order analysis.
 
         @param data_pipe_full:          The name of the data pipe containing 
all of the RDC and PCS data.