mailr3959 - /1.3/generic_fns/diffusion_tensor.py


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Posted by edward on November 25, 2007 - 20:37:
Author: bugman
Date: Sun Nov 25 20:37:39 2007
New Revision: 3959

URL: http://svn.gna.org/viewcvs/relax?rev=3959&view=rev
Log:
Fixed all calls to generic_fns.angles.wrap_angles().


Modified:
    1.3/generic_fns/diffusion_tensor.py

Modified: 1.3/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/diffusion_tensor.py?rev=3959&r1=3958&r2=3959&view=diff
==============================================================================
--- 1.3/generic_fns/diffusion_tensor.py (original)
+++ 1.3/generic_fns/diffusion_tensor.py Sun Nov 25 20:37:39 2007
@@ -372,13 +372,13 @@
 
         # Normal value.
         if sim_index == None:
-            cdp.diff_tensor.theta = angles.wrap_angles(theta, 0.0, pi)
-            cdp.diff_tensor.phi = angles.wrap_angles(phi, 0.0, 2.0*pi)
+            cdp.diff_tensor.theta = wrap_angles(theta, 0.0, pi)
+            cdp.diff_tensor.phi = wrap_angles(phi, 0.0, 2.0*pi)
 
         # Simulated theta and phi values.
         else:
-            cdp.diff_tensor.theta_sim[sim_index] = 
angles.wrap_angles(theta_sim, theta - pi/2.0, theta + pi/2.0)
-            cdp.diff_tensor.phi_sim[sim_index]   = 
angles.wrap_angles(phi_sim, phi - pi, phi + pi)
+            cdp.diff_tensor.theta_sim[sim_index] = wrap_angles(theta_sim, 
theta - pi/2.0, theta + pi/2.0)
+            cdp.diff_tensor.phi_sim[sim_index]   = wrap_angles(phi_sim, phi 
- pi, phi + pi)
 
     # Ellipsoid.
     elif cdp.diff_tensor.type == 'ellipsoid':
@@ -395,15 +395,15 @@
 
         # Normal value.
         if sim_index == None:
-            cdp.diff_tensor.alpha = angles.wrap_angles(alpha, 0.0, 2.0*pi)
-            cdp.diff_tensor.beta  = angles.wrap_angles(beta, 0.0, 2.0*pi)
-            cdp.diff_tensor.gamma = angles.wrap_angles(gamma, 0.0, 2.0*pi)
+            cdp.diff_tensor.alpha = wrap_angles(alpha, 0.0, 2.0*pi)
+            cdp.diff_tensor.beta  = wrap_angles(beta, 0.0, 2.0*pi)
+            cdp.diff_tensor.gamma = wrap_angles(gamma, 0.0, 2.0*pi)
 
         # Simulated alpha, beta, and gamma values.
         else:
-            cdp.diff_tensor.alpha_sim[sim_index] = 
angles.wrap_angles(alpha_sim, alpha - pi, alpha + pi)
-            cdp.diff_tensor.beta_sim[sim_index]  = 
angles.wrap_angles(beta_sim, beta - pi, beta + pi)
-            cdp.diff_tensor.gamma_sim[sim_index] = 
angles.wrap_angles(gamma_sim, gamma - pi, gamma + pi)
+            cdp.diff_tensor.alpha_sim[sim_index] = wrap_angles(alpha_sim, 
alpha - pi, alpha + pi)
+            cdp.diff_tensor.beta_sim[sim_index]  = wrap_angles(beta_sim, 
beta - pi, beta + pi)
+            cdp.diff_tensor.gamma_sim[sim_index] = wrap_angles(gamma_sim, 
gamma - pi, gamma + pi)
 
 
     # Remove the glide reflection and translational symmetries.




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