r17930 - /branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py -- October 20, 2012 - 17:44

Author: bugman
Date: Sat Oct 20 17:44:22 2012
New Revision: 17930

URL: http://svn.gna.org/viewcvs/relax?rev=17930&view=rev
Log:
Created a script of helping in optimisating the multi-processor efficiency of 
the Frame Order code.


Added:
    
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
      - copied, changed from r17929, 
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py

Copied: 
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
 (from r17929, 
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py)
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py?p2=branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py&p1=branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py&r1=17929&r2=17930&rev=17930&view=diff
==============================================================================
--- 
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
 (original)
+++ 
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
 Sat Oct 20 17:44:22 2012
@@ -1,4 +1,4 @@
-# Script for optimising the pseudo-ellipse frame order test model of CaM.
+# Script for testing out the multi-processor optimisation efficiency.
 
 # Python module imports.
 from numpy import array, float64, transpose, zeros
@@ -53,7 +53,7 @@
         ln = ['dy', 'tb', 'tm', 'er']
         for i in range(len(ln)):
             # Load the RDCs.
-            rdc.read(align_id=ln[i], file='rdc_%s.txt'%ln[i], 
spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=4)
+            #rdc.read(align_id=ln[i], file='rdc_%s.txt'%ln[i], 
spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=4)
 
             # The PCS.
             pcs.read(align_id=ln[i], file='pcs_%s.txt'%ln[i], 
mol_name_col=1, res_num_col=2, spin_name_col=5, data_col=6, error_col=7)
@@ -98,19 +98,19 @@
         paramag.centre(pos=[35.934, 12.194, -4.206])
 
         # The optimisation settings.
-        frame_order.num_int_pts(num=50)
+        frame_order.num_int_pts(num=1000)
         frame_order.quad_int(flag=False)
 
         # Check the minimum.
-        value.set(param='ave_pos_alpha', val=4.3434999280669997)
-        value.set(param='ave_pos_beta', val=0.43544332764249905)
-        value.set(param='ave_pos_gamma', val=3.8013235235956007)
-        value.set(param='eigen_alpha', val=3.14159265358979311600)
-        value.set(param='eigen_beta', val=0.96007997859534310869)
-        value.set(param='eigen_gamma', val=4.03227550621962294031)
-        value.set(param='cone_theta_x', val=30.0 * 2.0 * pi / 360.0)
-        value.set(param='cone_theta_y', val=50.0 * 2.0 * pi / 360.0)
-        value.set(param='cone_sigma_max', val=60.0 * 2.0 * pi / 360.0)
+        value.set(param='ave_pos_alpha', val=4.3434999280669997+0.1)
+        value.set(param='ave_pos_beta', val=0.43544332764249905+0.1)
+        value.set(param='ave_pos_gamma', val=3.8013235235956007+0.1)
+        value.set(param='eigen_alpha', val=3.14159265358979311600+0.1)
+        value.set(param='eigen_beta', val=0.96007997859534310869+0.1)
+        value.set(param='eigen_gamma', val=4.03227550621962294031+0.1)
+        value.set(param='cone_theta_x', val=30.0 * 2.0 * pi / 360.0+0.1)
+        value.set(param='cone_theta_y', val=50.0 * 2.0 * pi / 360.0+0.1)
+        value.set(param='cone_sigma_max', val=60.0 * 2.0 * pi / 360.0+0.1)
         calc()
         print("\nchi2: %s" % repr(cdp.chi2))