r15290 - /branches/frame_order_testing/specific_fns/frame_order.py -- February 02, 2012 - 16:36

Author: bugman
Date: Thu Feb  2 16:36:13 2012
New Revision: 15290

URL: http://svn.gna.org/viewcvs/relax?rev=15290&view=rev
Log:
The number of integration points is now set as a cdp variable.

This is to allow the test-suite to cut the number of points down to a 
reasonable level.


Modified:
    branches/frame_order_testing/specific_fns/frame_order.py

Modified: branches/frame_order_testing/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/specific_fns/frame_order.py?rev=15290&r1=15289&r2=15290&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Thu Feb  2 
16:36:13 2012
@@ -1125,8 +1125,12 @@
         if self._pivot_fixed():
             pivot_opt = False
 
+        # The number of integration points.
+        if not hasattr(cdp, 'num_int_pts'):
+            cdp.num_int_pts = 200000
+
         # Set up the optimisation function.
-        target = frame_order.Frame_order(model=cdp.model, 
init_params=param_vector, full_tensors=full_tensors, 
full_in_ref_frame=full_in_ref_frame, rdcs=rdcs, rdc_errors=rdc_err, 
rdc_weights=rdc_weight, rdc_vect=rdc_vect, rdc_const=rdc_const, pcs=pcs, 
pcs_errors=pcs_err, pcs_weights=pcs_weight, pcs_atoms=pcs_atoms, temp=temp, 
frq=frq, paramag_centre=paramag_centre, scaling_matrix=scaling_matrix, 
pivot=pivot, pivot_opt=pivot_opt, mcint=cdp.mcint)
+        target = frame_order.Frame_order(model=cdp.model, 
init_params=param_vector, full_tensors=full_tensors, 
full_in_ref_frame=full_in_ref_frame, rdcs=rdcs, rdc_errors=rdc_err, 
rdc_weights=rdc_weight, rdc_vect=rdc_vect, rdc_const=rdc_const, pcs=pcs, 
pcs_errors=pcs_err, pcs_weights=pcs_weight, pcs_atoms=pcs_atoms, temp=temp, 
frq=frq, paramag_centre=paramag_centre, scaling_matrix=scaling_matrix, 
pivot=pivot, pivot_opt=pivot_opt, num_int_pts=cdp.num_int_pts, 
mcint=cdp.mcint)
 
         # Return the data.
         return target, param_vector, data_types, scaling_matrix