Author: bugman Date: Fri Nov 7 09:09:39 2014 New Revision: 26434 URL: http://svn.gna.org/viewcvs/relax?rev=26434&view=rev Log: Alphabetical ordering of methods in the frame order matrix element simulation script. Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py?rev=26434&r1=26433&r2=26434&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/sim_vs_pred_matrix/frame_order_simulate.py Fri Nov 7 09:09:39 2014 @@ -184,7 +184,14 @@ self.z_axis = array([0, 0, 1], float64) - def inside_pseudo_ellipse(self, i=None, theta=None, phi=None, sigma=None, max_theta_x=None, max_theta_y=None, max_theta_z=None): + def inside_free_rotor(self, i=None, theta=None, phi=None, sigma=None, max_theta_x=None, max_theta_y=None, max_theta_z=None): + """Determine if the frame is inside the limits, which for the free rotor is always true.""" + + # Inside. + return True + + + def inside_iso_cone(self, i=None, theta=None, phi=None, sigma=None, max_theta_x=None, max_theta_y=None, max_theta_z=None): """Determine if the frame is inside the limits.""" # Check for a torsion angle violation. @@ -192,22 +199,14 @@ return False # Check for a tilt angle violation. - max_theta = 1.0 / sqrt(cos(phi)**2 / max_theta_x**2 + sin(phi)**2 / max_theta_y**2) - if theta > max_theta: + if theta > max_theta_x: return False # Inside. return True - def inside_free_rotor(self, i=None, theta=None, phi=None, sigma=None, max_theta_x=None, max_theta_y=None, max_theta_z=None): - """Determine if the frame is inside the limits, which for the free rotor is always true.""" - - # Inside. - return True - - - def inside_iso_cone(self, i=None, theta=None, phi=None, sigma=None, max_theta_x=None, max_theta_y=None, max_theta_z=None): + def inside_pseudo_ellipse(self, i=None, theta=None, phi=None, sigma=None, max_theta_x=None, max_theta_y=None, max_theta_z=None): """Determine if the frame is inside the limits.""" # Check for a torsion angle violation. @@ -215,7 +214,8 @@ return False # Check for a tilt angle violation. - if theta > max_theta_x: + max_theta = 1.0 / sqrt(cos(phi)**2 / max_theta_x**2 + sin(phi)**2 / max_theta_y**2) + if theta > max_theta: return False # Inside.