Author: bugman
Date: Wed Sep 10 21:33:37 2014
New Revision: 25738
URL: http://svn.gna.org/viewcvs/relax?rev=25738&view=rev
Log:
Bug fix for the new frame_order.permute_axes user function.
The cone and torsion angles were not being correctly permuted. Now the direct
permutation array is
being used. And the fact that cone_theta_x is a rotation along the y-axis and
cone_theta_y along
the x-axis is taken into account.
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
Modified: branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/uf.py?rev=25738&r1=25737&r2=25738&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/uf.py
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/uf.py Wed Sep
10 21:33:37 2014
@@ -188,11 +188,11 @@
print("%-20s %-20s" % ("permutation", perm))
print("%-20s %-20s" % ("z-axis inversion", inv))
- # Permute the angles.
- cdp.cone_theta_x = angles[perm.index(0)]
- cdp.cone_theta_y = angles[perm.index(1)]
+ # Permute the angles (note that cone_theta_x is a rotation about the
y-axis and cone_theta_y about the x-axis).
+ cdp.cone_theta_x = angles[perm[1]]
+ cdp.cone_theta_y = angles[perm[0]]
if cdp.model == MODEL_PSEUDO_ELLIPSE:
- cdp.cone_sigma_max = angles[perm.index(2)]
+ cdp.cone_sigma_max = angles[perm[2]]
# Permute the axes and invert the z-axis as necessary.
frame_new = transpose(array([inv[0]*frame[:, perm[0]], inv[1]*frame[:,
perm[1]], inv[2]*frame[:, perm[2]]], float64))
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