mailr17299 - /branches/frame_order_testing/specific_fns/frame_order.py


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Posted by edward on July 23, 2012 - 16:19:
Author: bugman
Date: Mon Jul 23 16:19:45 2012
New Revision: 17299

URL: http://svn.gna.org/viewcvs/relax?rev=17299&view=rev
Log:
The print outs for the frame order target function setup is now turned off 
for the MC simulations.


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=17299&r1=17298&r2=17299&view=diff
==============================================================================
--- branches/frame_order_testing/specific_fns/frame_order.py (original)
+++ branches/frame_order_testing/specific_fns/frame_order.py Mon Jul 23 
16:19:45 2012
@@ -1270,17 +1270,18 @@
             cdp.num_int_pts = 200000
 
         # Print outs.
-        if cdp.quad_int:
-            sys.stdout.write("Numerical integration via Scipy quadratic 
integration.\n")
-        else:
-            sys.stdout.write("Numerical integration via the quasi-random 
Sobol' sequence.\n")
-            sys.stdout.write("Number of integration points: %s\n" % 
cdp.num_int_pts)
-        base_data = []
-        if rdcs != None:
-            base_data.append("RDCs")
-        if pcs != None:
-            base_data.append("PCSs")
-        sys.stdout.write("Base data: %s\n" % repr(base_data))
+        if sim_index == None:
+            if cdp.quad_int:
+                sys.stdout.write("Numerical integration via Scipy quadratic 
integration.\n")
+            else:
+                sys.stdout.write("Numerical integration via the quasi-random 
Sobol' sequence.\n")
+                sys.stdout.write("Number of integration points: %s\n" % 
cdp.num_int_pts)
+            base_data = []
+            if rdcs != None:
+                base_data.append("RDCs")
+            if pcs != None:
+                base_data.append("PCSs")
+            sys.stdout.write("Base data: %s\n" % repr(base_data))
 
         # 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, dip_const=rdc_const, pcs=pcs, 
pcs_errors=pcs_err, pcs_weights=pcs_weight, atomic_pos=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, 
quad_int=cdp.quad_int)




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