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.
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