mailr11447 - /1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py


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Posted by edward on August 09, 2010 - 14:17:
Author: bugman
Date: Mon Aug  9 14:17:43 2010
New Revision: 11447

URL: http://svn.gna.org/viewcvs/relax?rev=11447&view=rev
Log:
Clean up of the frame order unit tests.


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=11447&r1=11446&r2=11447&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 Mon 
Aug  9 14:17:43 2010
@@ -39,6 +39,7 @@
 
         # Temp storage.
         self.f2_temp = zeros((9, 9), float64)
+        self.R_temp = zeros((3, 3), float64)
 
         # Set up the identity matrices.
         self.setup_identity()
@@ -108,16 +109,66 @@
     def test_compile_2nd_matrix_iso_cone_disorder(self):
         """Check if compile_2nd_matrix_iso_cone() can return the identity 
matrix for disorder."""
 
+        # Calculate the frame order matrix.
+        f2 = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0, 
0.0, 0.0, pi, pi)
+
+        # Print outs.
+        print_frame_order_2nd_degree(self.I_disorder, "Identity for 
disorder")
+        print_frame_order_2nd_degree(f2, "Compiled frame order")
+
+        # Check the values.
+        for i in range(9):
+            for j in range(9):
+                print "Element %s, %s." % (i, j)
+                self.assertAlmostEqual(f2[i, j], self.I_disorder[i, j])
+
+
+    def test_compile_2nd_matrix_iso_cone_order(self):
+        """Check if compile_2nd_matrix_iso_cone() can return the identity 
matrix for order."""
+
+        # Calculate the frame order matrix.
+        f2 = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0, 
0.0, 0.0, 1e-5, 1e-10)
+
+        # Print outs.
+        print_frame_order_2nd_degree(self.I_order, "Identity for order")
+        print_frame_order_2nd_degree(f2, "Compiled frame order")
+
+        # Check the values.
+        for i in range(9):
+            for j in range(9):
+                print "Element %s, %s." % (i, j)
+                self.assertAlmostEqual(f2[i, j], self.I_order[i, j])
+
+
+    def test_compile_2nd_matrix_iso_cone_order2(self):
+        """2nd check if compile_2nd_matrix_iso_cone() can return the 
identity matrix for order."""
+
+        # Calculate the frame order matrix.
+        f2 = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0, 
0.0, 0.0, 0.0, 0.0)
+
+        # Print outs.
+        print_frame_order_2nd_degree(self.I_order, "Identity for order")
+        print_frame_order_2nd_degree(f2, "Compiled frame order")
+
+        # Check the values.
+        for i in range(9):
+            for j in range(9):
+                print "Element %s, %s." % (i, j)
+                self.assertAlmostEqual(f2[i, j], self.I_order[i, j])
+
+
+    def test_compile_2nd_matrix_iso_cone_free_rotor_disorder(self):
+        """Check if compile_2nd_matrix_iso_cone_free_rotor() can return the 
identity matrix for disorder."""
+
         # Init.
-        R = eye(3)
         z_axis = array([0, 0, 1], float64)
         cone_axis = zeros(3, float64)
 
         # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_iso_cone(self.f2_temp, R, 0.0, 0.0, 0.0, pi, 
pi)
-
-        # Print outs.
-        print_frame_order_2nd_degree(self.I_disorder, "Identity for 
disorder")
+        f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp, 
self.R_temp, z_axis, cone_axis, 0.0, 1.0, 0.0)
+
+        # Print outs.
+        print_frame_order_2nd_degree(self.I_disorder, "Free rotor identity 
for disorder")
         print_frame_order_2nd_degree(f2, "Compiled frame order")
 
         # Check the values.
@@ -127,82 +178,15 @@
                 self.assertAlmostEqual(f2[i, j], self.I_disorder[i, j])
 
 
-    def test_compile_2nd_matrix_iso_cone_order(self):
-        """Check if compile_2nd_matrix_iso_cone() can return the identity 
matrix for order."""
+    def test_compile_2nd_matrix_iso_cone_free_rotor_order(self):
+        """Check if compile_2nd_matrix_iso_cone_free_rotor() can return the 
identity matrix for order."""
 
         # Init.
-        R = eye(3)
         z_axis = array([0, 0, 1], float64)
         cone_axis = zeros(3, float64)
 
         # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_iso_cone(self.f2_temp, R, 0.0, 0.0, 0.0, 
1e-5, 1e-10)
-
-        # Print outs.
-        print_frame_order_2nd_degree(self.I_order, "Identity for order")
-        print_frame_order_2nd_degree(f2, "Compiled frame order")
-
-        # Check the values.
-        for i in range(9):
-            for j in range(9):
-                print "Element %s, %s." % (i, j)
-                self.assertAlmostEqual(f2[i, j], self.I_order[i, j])
-
-
-    def test_compile_2nd_matrix_iso_cone_order2(self):
-        """2nd check if compile_2nd_matrix_iso_cone() can return the 
identity matrix for order."""
-
-        # Init.
-        R = eye(3)
-        z_axis = array([0, 0, 1], float64)
-        cone_axis = zeros(3, float64)
-
-        # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_iso_cone(self.f2_temp, R, 0.0, 0.0, 0.0, 
0.0, 0.0)
-
-        # Print outs.
-        print_frame_order_2nd_degree(self.I_order, "Identity for order")
-        print_frame_order_2nd_degree(f2, "Compiled frame order")
-
-        # Check the values.
-        for i in range(9):
-            for j in range(9):
-                print "Element %s, %s." % (i, j)
-                self.assertAlmostEqual(f2[i, j], self.I_order[i, j])
-
-
-    def test_compile_2nd_matrix_iso_cone_free_rotor_disorder(self):
-        """Check if compile_2nd_matrix_iso_cone_free_rotor() can return the 
identity matrix for disorder."""
-
-        # Init.
-        R = eye(3)
-        z_axis = array([0, 0, 1], float64)
-        cone_axis = zeros(3, float64)
-
-        # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp, R, z_axis, 
cone_axis, 0.0, 1.0, 0.0)
-
-        # Print outs.
-        print_frame_order_2nd_degree(self.I_disorder, "Free rotor identity 
for disorder")
-        print_frame_order_2nd_degree(f2, "Compiled frame order")
-
-        # Check the values.
-        for i in range(9):
-            for j in range(9):
-                print "Element %s, %s." % (i, j)
-                self.assertAlmostEqual(f2[i, j], self.I_disorder[i, j])
-
-
-    def test_compile_2nd_matrix_iso_cone_free_rotor_order(self):
-        """Check if compile_2nd_matrix_iso_cone_free_rotor() can return the 
identity matrix for order."""
-
-        # Init.
-        R = eye(3)
-        z_axis = array([0, 0, 1], float64)
-        cone_axis = zeros(3, float64)
-
-        # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp, R, z_axis, 
cone_axis, 0.0, 1.0, 1.0)
+        f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp, 
self.R_temp, z_axis, cone_axis, 0.0, 1.0, 1.0)
 
         # Print outs.
         print_frame_order_2nd_degree(self.I_order_free_rotor, "Free rotor 
identity for order")
@@ -218,13 +202,8 @@
     def test_compile_2nd_matrix_pseudo_ellipse_disorder(self):
         """Check if compile_2nd_matrix_pseudo_ellipse() can return the 
identity matrix for disorder."""
 
-        # Init.
-        R = eye(3)
-        z_axis = array([0, 0, 1], float64)
-        cone_axis = zeros(3, float64)
-
-        # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, R, 0.0, 0.0, 
0.0, pi, pi, pi)
+        # Calculate the frame order matrix.
+        f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp, 
0.0, 0.0, 0.0, pi, pi, pi)
 
         # Print outs.
         print_frame_order_2nd_degree(self.I_disorder, "Identity for 
disorder")
@@ -240,13 +219,8 @@
     def test_compile_2nd_matrix_pseudo_ellipse_order(self):
         """Check if compile_2nd_matrix_pseudo_ellipse() can return the 
identity matrix for order."""
 
-        # Init.
-        R = eye(3)
-        z_axis = array([0, 0, 1], float64)
-        cone_axis = zeros(3, float64)
-
-        # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, R, 0.0, 0.0, 
0.0, 1e-5, 1e-10, 1e-5)
+        # Calculate the frame order matrix.
+        f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp, 
0.0, 0.0, 0.0, 1e-5, 1e-10, 1e-5)
 
         # Print outs.
         print_frame_order_2nd_degree(self.I_order, "Identity for order")
@@ -262,13 +236,8 @@
     def test_compile_2nd_matrix_pseudo_ellipse_free_rotor_disorder(self):
         """Check if compile_2nd_matrix_pseudo_ellipse_free_rotor() can 
return the identity matrix for disorder."""
 
-        # Init.
-        R = eye(3)
-        z_axis = array([0, 0, 1], float64)
-        cone_axis = zeros(3, float64)
-
-        # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp, R, 
0.0, 0.0, 0.0, pi, pi)
+        # Calculate the frame order matrix.
+        f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp, 
self.R_temp, 0.0, 0.0, 0.0, pi, pi)
 
         # Print outs.
         print_frame_order_2nd_degree(self.I_disorder, "Free rotor identity 
for disorder")
@@ -284,13 +253,8 @@
     def test_compile_2nd_matrix_pseudo_ellipse_free_rotor_order(self):
         """Check if compile_2nd_matrix_pseudo_ellipse_free_rotor() can 
return the identity matrix for order."""
 
-        # Init.
-        R = eye(3)
-        z_axis = array([0, 0, 1], float64)
-        cone_axis = zeros(3, float64)
-
-        # Calculate the frame order matrix.
-        f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp, R, 
0.0, 0.0, 0.0, 1e-10, 1e-10)
+        # Calculate the frame order matrix.
+        f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp, 
self.R_temp, 0.0, 0.0, 0.0, 1e-10, 1e-10)
 
         # Print outs.
         print_frame_order_2nd_degree(self.I_order_free_rotor, "Free rotor 
identity for order")
@@ -320,14 +284,13 @@
         transpose_23(real)
 
         # Init.
-        calc = zeros((9, 9), float64)
         R = zeros((3, 3), float64)
         x = pi/4.0
         y = 3.0*pi/8.0
         z = pi/6.0
 
         # Calculate the matrix.
-        f2 = compile_2nd_matrix_pseudo_ellipse(calc, R, 0, 0, 0, x, y, z)
+        f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp, 0, 
0, 0, x, y, z)
 
         # Print out.
         print_frame_order_2nd_degree(real, "real")




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