r11472 - /1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py -- August 11, 2010 - 18:37

Author: bugman
Date: Wed Aug 11 18:37:11 2010
New Revision: 11472

URL: http://svn.gna.org/viewcvs/relax?rev=11472&view=rev
Log:
Fixes for the calls to compile_2nd_matrix_iso_cone_torsionless() in the unit 
tests.

More debugging printouts have been included throughout.


Modified:
    1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py

Modified: 1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py?rev=11472&r1=11471&r2=11472&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py 
(original)
+++ 1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py Wed 
Aug 11 18:37:11 2010
@@ -245,6 +245,7 @@
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Isotropic cone frame order")
         print_frame_order_2nd_degree(f2b, "Free rotor isotropic cone frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -258,11 +259,12 @@
 
         # Calculate the frame order matrix.
         f2a = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0, 
0.0, 0.0, pi/4.6, 0)
-        f2b = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp, 
self.R_temp, 0.0, 0.0, 0.0, pi/4.6)
+        f2b = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp, 
self.R_temp, self.z_axis, self.cone_axis, 0.0, 0.0, pi/4.6)
 
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Isotropic cone frame order")
         print_frame_order_2nd_degree(f2b, "Torsionless isotropic cone frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -531,6 +533,7 @@
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
         print_frame_order_2nd_degree(f2b, "Free rotor pseudo-ellipse frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -549,6 +552,7 @@
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
         print_frame_order_2nd_degree(f2b, "pi/2 rotated free rotor 
pseudo-ellipse frame order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -567,6 +571,7 @@
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
         print_frame_order_2nd_degree(f2b, "Torsionless pseudo-ellipse frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -585,6 +590,7 @@
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
         print_frame_order_2nd_degree(f2b, "Isotropic cone frame order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -603,6 +609,7 @@
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
         print_frame_order_2nd_degree(f2b, "Free rotor isotropic cone frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -616,11 +623,12 @@
 
         # Calculate the frame order matrix.
         f2a = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp, 
0.0, 0.0, 0.0, pi/8.6, pi/8.6, 0)
-        f2a = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp, 
self.R_temp, 0.0, 0.0, 0.0, pi/8.6)
+        f2b = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp, 
self.R_temp, self.z_axis, self.cone_axis, 0.0, 0.0, pi/8.6)
 
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
         print_frame_order_2nd_degree(f2b, "Torsionless isotropic cone frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -775,6 +783,7 @@
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Free rotor pseudo-ellipse frame 
order")
         print_frame_order_2nd_degree(f2b, "Free rotor isotropic cone frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):
@@ -788,11 +797,12 @@
 
         # Calculate the frame order matrix.
         f2a = compile_2nd_matrix_pseudo_ellipse_torsionless(self.f2_temp, 
self.R_temp, 0.0, 0.0, 0.0, pi/4.6, pi/4.6)
-        f2b = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp, 
self.R_temp, 0.0, 0.0, 0.0, pi/4.6)
+        f2b = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp, 
self.R_temp, self.z_axis, self.cone_axis, 0.0, 0.0, pi/4.6)
 
         # Print outs.
         print_frame_order_2nd_degree(f2a, "Torsionless pseudo-ellipse frame 
order")
         print_frame_order_2nd_degree(f2b, "Torsionless isotropic cone frame 
order")
+        print_frame_order_2nd_degree(f2b-f2a, "difference")
 
         # Check the values.
         for i in range(9):