r15106 - /branches/frame_order_testing/maths_fns/frame_order.py -- December 19, 2011 - 19:12

Author: bugman
Date: Mon Dec 19 19:12:20 2011
New Revision: 15106

URL: http://svn.gna.org/viewcvs/relax?rev=15106&view=rev
Log:
A few small bug fixes for the old quadratic integration target functions.


Modified:
    branches/frame_order_testing/maths_fns/frame_order.py

Modified: branches/frame_order_testing/maths_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order.py?rev=15106&r1=15105&r2=15106&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order.py (original)
+++ branches/frame_order_testing/maths_fns/frame_order.py Mon Dec 19 19:12:20 
2011
@@ -583,9 +583,9 @@
                     if not self.missing_pcs[i, j]:
                         # Forwards and reverse rotations.
                         if self.full_in_ref_frame[i]:
-                            r_pivot_atom = self.r_pivot_atom_rev[j]
+                            r_pivot_atom = self.r_pivot_atom_rev[:, j]
                         else:
-                            r_pivot_atom = self.r_pivot_atom[j]
+                            r_pivot_atom = self.r_pivot_atom[:, j]
 
                         # The numerical integration.
                         self.pcs_theta[i, j] = 
pcs_numeric_int_iso_cone(theta_max=cone_theta, sigma_max=sigma_max, 
c=self.pcs_const[i], r_pivot_atom=r_pivot_atom, r_ln_pivot=self.r_ln_pivot, 
A=self.A_3D[i], R_eigen=self.R_eigen, RT_eigen=RT_eigen, 
Ri_prime=self.Ri_prime)
@@ -1586,8 +1586,6 @@
                 # Calculate and sum the single alignment chi-squared value 
(for the RDC).
                 chi2_sum = chi2_sum + chi2(self.rdc[i], self.rdc_theta[i], 
self.rdc_error[i])
 
-        # PCS via Monte Carlo integration.
-        if self.pcs_flag:
             # PCS.
             if self.pcs_flag:
                 # Loop over the PCSs.