Author: bugman Date: Wed Jul 9 11:52:30 2014 New Revision: 24488 URL: http://svn.gna.org/viewcvs/relax?rev=24488&view=rev Log: Converted the torsionless pseudo-ellipse model to also use the tmax_pseudo_ellipse_array() function. This allows the calculation of the pseudo-elliptic cone opening theta_max to be shifted outside of all loops. Modified: branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py Modified: branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py?rev=24488&r1=24487&r2=24488&view=diff ============================================================================== --- branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py (original) +++ branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py Wed Jul 9 11:52:30 2014 @@ -33,7 +33,7 @@ # relax module imports. from lib.geometry.pec import pec from lib.frame_order.matrix_ops import pcs_pivot_motion_torsionless_qrint, rotate_daeg -from lib.frame_order.pseudo_ellipse import tmax_pseudo_ellipse +from lib.frame_order.pseudo_ellipse import tmax_pseudo_ellipse, tmax_pseudo_ellipse_array def compile_2nd_matrix_pseudo_ellipse_torsionless(matrix, Rx2_eigen, theta_x, theta_y): @@ -313,6 +313,9 @@ # Unpack the points. theta, phi = swapaxes(points, 0, 1) + # Calculate theta_max. + theta_max = tmax_pseudo_ellipse_array(phi, theta_x, theta_y) + # Loop over the samples. num = 0 for i in range(len(points)): @@ -320,11 +323,8 @@ if theta[i] > theta_y: continue - # Calculate theta_max. - theta_max = tmax_pseudo_ellipse(phi[i], theta_x, theta_y) - # Outside of the distribution, so skip the point. - if theta[i] > theta_max: + if theta[i] > theta_max[i]: continue # Calculate the PCSs for this state.