r15153 - /branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py -- January 12, 2012 - 10:40

Author: bugman
Date: Thu Jan 12 10:40:20 2012
New Revision: 15153

URL: http://svn.gna.org/viewcvs/relax?rev=15153&view=rev
Log:
Activated all of the forwards calculations in the pcs_pivot_motion_*_mcint() 
functions.

This is only required when a two domain system is tagged on both domains, and 
normally just slows
down the calculations.


Modified:
    branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py

Modified: branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py?rev=15153&r1=15152&r2=15153&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py 
(original)
+++ branches/frame_order_testing/maths_fns/frame_order_matrix_ops.py Thu Jan 
12 10:40:20 2012
@@ -1873,13 +1873,13 @@
 
     # Pre-calculate all the new vectors (forwards and reverse).
     rot_vect_rev = transpose(dot(R_i, r_pivot_atom_rev) + r_ln_pivot)
-    #rot_vect = transpose(dot(R_i, r_pivot_atom) + r_ln_pivot)
+    rot_vect = transpose(dot(R_i, r_pivot_atom) + r_ln_pivot)
 
     # Loop over the atoms.
     for j in xrange(len(r_pivot_atom[0])):
         # The vector length (to the 5th power).
         length_rev = 1.0 / sqrt(inner(rot_vect_rev[j], rot_vect_rev[j]))**5
-        #length = 1.0 / sqrt(inner(rot_vect[j], rot_vect[j]))**5
+        length = 1.0 / sqrt(inner(rot_vect[j], rot_vect[j]))**5
 
         # Loop over the alignments.
         for i in xrange(len(pcs_theta)):
@@ -2000,13 +2000,13 @@
 
     # Pre-calculate all the new vectors (forwards and reverse).
     rot_vect_rev = transpose(dot(R_i, r_pivot_atom_rev) + r_ln_pivot)
-    #rot_vect = transpose(dot(R_i, r_pivot_atom) + r_ln_pivot)
+    rot_vect = transpose(dot(R_i, r_pivot_atom) + r_ln_pivot)
 
     # Loop over the atoms.
     for j in xrange(len(r_pivot_atom[0])):
         # The vector length (to the 5th power).
         length_rev = 1.0 / sqrt(inner(rot_vect_rev[j], rot_vect_rev[j]))**5
-        #length = 1.0 / sqrt(inner(rot_vect[j], rot_vect[j]))**5
+        length = 1.0 / sqrt(inner(rot_vect[j], rot_vect[j]))**5
 
         # Loop over the alignments.
         for i in xrange(len(pcs_theta)):
@@ -2144,13 +2144,13 @@
 
     # Pre-calculate all the new vectors (forwards and reverse).
     rot_vect_rev = transpose(dot(R_i, r_pivot_atom_rev) + r_ln_pivot)
-    #rot_vect = transpose(dot(R_i, r_pivot_atom) + r_ln_pivot)
+    rot_vect = transpose(dot(R_i, r_pivot_atom) + r_ln_pivot)
 
     # Loop over the atoms.
     for j in xrange(len(r_pivot_atom[0])):
         # The vector length (to the 5th power).
         length_rev = 1.0 / sqrt(inner(rot_vect_rev[j], rot_vect_rev[j]))**5
-        #length = 1.0 / sqrt(inner(rot_vect[j], rot_vect[j]))**5
+        length = 1.0 / sqrt(inner(rot_vect[j], rot_vect[j]))**5
 
         # Loop over the alignments.
         for i in xrange(len(pcs_theta)):