Author: bugman Date: Mon Oct 31 15:30:39 2011 New Revision: 14947 URL: http://svn.gna.org/viewcvs/relax?rev=14947&view=rev Log: Fixes and speed up for the 2nd frame order free rotor model system test. The grid search has been replaced by the setting of values to that after a high resolution grid search, decreasing the test time from ~39 seconds to ~0.8 seconds. Modified: 1.3/test_suite/system_tests/frame_order.py 1.3/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py Modified: 1.3/test_suite/system_tests/frame_order.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/frame_order.py?rev=14947&r1=14946&r2=14947&view=diff ============================================================================== --- 1.3/test_suite/system_tests/frame_order.py (original) +++ 1.3/test_suite/system_tests/frame_order.py Mon Oct 31 15:30:39 2011 @@ -205,7 +205,7 @@ pivot = array([ 37.254, 0.5, 16.7465]) com = array([ 26.83678091, -12.37906417, 28.34154128]) pivot_com_axis = com - pivot - rot_axis = array([ 0.59390169, 0.73425527, -0.16105115]) + rot_axis = array([ 0.62649633, 0.77455282, -0.08700742]) # The average position CoM. ave_pivot_com_axis = ds['ave pos'].CoM - pivot @@ -230,12 +230,11 @@ # The dot product. angle = acos(dot(cart_vect, rot_axis)) + if angle > pi/2: + angle = acos(dot(cart_vect, -rot_axis)) # Check the angle. - if angle > 3 and angle < 4: - self.assertAlmostEqual(angle, pi, 1) - else: - self.assertAlmostEqual(angle, 0.0, 1) + self.assertAlmostEqual(angle, 0.0, 2) def test_cam_rigid(self): Modified: 1.3/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py?rev=14947&r1=14946&r2=14947&view=diff ============================================================================== --- 1.3/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py (original) +++ 1.3/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py Mon Oct 31 15:30:39 2011 @@ -63,8 +63,13 @@ # Set the reference domain. frame_order.ref_domain('N') + # Set the parameters to that after a 21 increment grid search (for a massive speed up). + value.set(val=2.2143, param='ave_pos_beta') + value.set(val=0.897, param='ave_pos_gamma') + value.set(val=1.570, param='axis_theta') + value.set(val=1.1968, param='axis_phi') + # Optimise. - grid_search(inc=11) minimise('simplex', constraints=False) # Write the results.