Author: bugman Date: Fri Jul 20 09:57:35 2012 New Revision: 17290 URL: http://svn.gna.org/viewcvs/relax?rev=17290&view=rev Log: Updated the 2nd free-rotor isotropic cone frame order optimisation script to match the test suite. Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py?rev=17290&r1=17289&r2=17290&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py Fri Jul 20 09:57:35 2012 @@ -98,11 +98,12 @@ paramag.centre(pos=[35.934, 12.194, -4.206]) # Check the minimum. - value.set(param='ave_pos_beta', val=1.1321377968123119) - value.set(param='ave_pos_gamma', val=0.029867114268410672) - value.set(param='axis_theta', val=0.69828059268540488) - value.set(param='axis_phi', val=-2.2509097944247132) - value.set(param='cone_s1', val=iso_cone_theta_to_S(20.0 * 2.0 * pi / 360.0)) + value.set(param='ave_pos_beta', val=0.77485244603476433) + value.set(param='ave_pos_gamma', val=0.1420704587263735) + value.set(param='axis_theta', val=0.69828059079619353433) + value.set(param='axis_phi', val=4.03227550621962294031) + value.set(param='cone_s1', val=iso_cone_theta_to_S(1.2)) + cdp.num_int_pts = 1000000 calc() print("\nchi2: %s" % cdp.chi2)