r15161 - /branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py -- January 17, 2012 - 11:18

Author: bugman
Date: Tue Jan 17 11:18:54 2012
New Revision: 15161

URL: http://svn.gna.org/viewcvs/relax?rev=15161&view=rev
Log:
Small changes to the structure distribution script.


Modified:
    
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py

Modified: 
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py?rev=15161&r1=15160&r2=15161&view=diff
==============================================================================
--- 
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py
 (original)
+++ 
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor/generate_distribution.py
 Tue Jan 17 11:18:54 2012
@@ -11,6 +11,7 @@
 
 # The number of structures.
 N = 5000
+THETA_MAX = 20.0 * 2.0 * pi / 360.0
 
 # Create a data pipe.
 pipe.create('generate', 'N-state')
@@ -31,9 +32,9 @@
     R_random_hypersphere(R)
 
     # Skip the rotation if the angle is violated.
-    new_axis = dot(R, axis)
-    angle = acos(dot(axis, new_axis))
-    if angle > (20.0 * 2.0 * pi / 360.0):
+    rot_z = dot(R, axis)
+    theta = acos(dot(axis, rot_z))
+    if theta > THETA_MAX:
         continue
 
     # Load the PDB as a new model.