r26111 - /trunk/test_suite/system_tests/structure.py -- October 01, 2014 - 19:44

Author: bugman
Date: Wed Oct  1 19:44:22 2014
New Revision: 26111

URL: http://svn.gna.org/viewcvs/relax?rev=26111&view=rev
Log:
Modified the Structure.test_align system test so that translations and 
rotations match the algorithm.

This allows the output of the structure.align user function to be checked to 
see if the rotation
matrix and translation vector found match that used to shift the original 
structures.

Modified:
    trunk/test_suite/system_tests/structure.py

Modified: trunk/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=26111&r1=26110&r2=26111&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py  (original)
+++ trunk/test_suite/system_tests/structure.py  Wed Oct  1 19:44:22 2014
@@ -89,12 +89,12 @@
 
         # Translate and rotate the models.
         R = zeros((3, 3), float64)
-        self.interpreter.structure.translate(T=[1., 1., 1.], model=1)
-        self.interpreter.structure.translate(T=[0., 0., 1.], model=2)
         axis_angle_to_R(array([1, 0, 0], float64), 1.0, R)
         self.interpreter.structure.rotate(R=R, model=1)
         axis_angle_to_R(array([0, 0, 1], float64), 2.0, R)
         self.interpreter.structure.rotate(R=R, model=2)
+        self.interpreter.structure.translate(T=[1., 1., 1.], model=1)
+        self.interpreter.structure.translate(T=[0., 0., 1.], model=2)
 
         # The alignment.
         self.interpreter.structure.align(pipes=['ref', 'align'], method='fit 
to first', atom_id='@N,H')