Author: bugman
Date: Tue Oct 15 10:43:03 2013
New Revision: 21103
URL: http://svn.gna.org/viewcvs/relax?rev=21103&view=rev
Log:
Created a unit test for the lib.linear_algebra.matrix_exponential module.
This module does not exist yet, but it will be used to replace the
scipy.linalg.expm() function use
in the relaxation dispersion branch.
Added:
trunk/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py
- copied, changed from r21100,
trunk/test_suite/unit_tests/_lib/_linear_algebra/test_kronecker_product.py
Modified:
trunk/test_suite/unit_tests/_lib/_linear_algebra/__init__.py
Modified: trunk/test_suite/unit_tests/_lib/_linear_algebra/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/unit_tests/_lib/_linear_algebra/__init__.py?rev=21103&r1=21102&r2=21103&view=diff
==============================================================================
--- trunk/test_suite/unit_tests/_lib/_linear_algebra/__init__.py (original)
+++ trunk/test_suite/unit_tests/_lib/_linear_algebra/__init__.py Tue Oct 15
10:43:03 2013
@@ -22,5 +22,6 @@
__all__ = [
'test___init__',
- 'test_kronecker_prod'
+ 'test_kronecker_prod',
+ 'test_matrix_exponential'
]
Copied:
trunk/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py
(from r21100,
trunk/test_suite/unit_tests/_lib/_linear_algebra/test_kronecker_product.py)
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py?p2=trunk/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py&p1=trunk/test_suite/unit_tests/_lib/_linear_algebra/test_kronecker_product.py&r1=21100&r2=21103&rev=21103&view=diff
==============================================================================
---
trunk/test_suite/unit_tests/_lib/_linear_algebra/test_kronecker_product.py
(original)
+++
trunk/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py
Tue Oct 15 10:43:03 2013
@@ -24,281 +24,38 @@
from unittest import TestCase
# relax module imports.
-from lib.linear_algebra.kronecker_product import kron_prod, transpose_12,
transpose_13, transpose_14, transpose_23, transpose_24, transpose_34
+from lib.linear_algebra.matrix_exponential import matrix_exponential
-class Test_kronecker_product(TestCase):
- """Unit tests for the target_functions.kronecker_product relax module."""
-
- def setUp(self):
- """Set up data used by the unit tests."""
-
- # A rank-4, 3D tensor in string form (and rank-2, 9D).
- self.daeg_str = [
- ['0000', '0001', '0002', '0010', '0011', '0012', '0020',
'0021', '0022'],
- ['0100', '0101', '0102', '0110', '0111', '0112', '0120',
'0121', '0122'],
- ['0200', '0201', '0202', '0210', '0211', '0212', '0220',
'0221', '0222'],
-
- ['1000', '1001', '1002', '1010', '1011', '1012', '1020',
'1021', '1022'],
- ['1100', '1101', '1102', '1110', '1111', '1112', '1120',
'1121', '1122'],
- ['1200', '1201', '1202', '1210', '1211', '1212', '1220',
'1221', '1222'],
-
- ['2000', '2001', '2002', '2010', '2011', '2012', '2020',
'2021', '2022'],
- ['2100', '2101', '2102', '2110', '2111', '2112', '2120',
'2121', '2122'],
- ['2200', '2201', '2202', '2210', '2211', '2212', '2220',
'2221', '2222'],
- ]
- print("The initial tensor:")
- self.print_nice(self.daeg_str)
- self.daeg = self.to_numpy(self.daeg_str)
+class Test_matrix_exponential(TestCase):
+ """Unit tests for the lib.linear_algebra.matrix_exponential relax
module."""
- def print_nice(self, daeg):
- """Formatted printout of the tensor."""
-
- # Loop over the rows.
- for i in range(9):
- # Empty row.
- if i != 0 and not i % 3:
- print(' |' + '-'*17 + '|' + '-'*17 + '|' + '-'*17)
-
- # Loop over the columns.
- line = ''
- for j in range(9):
- # Block separator.
- if not j % 3:
- line = line + ' | '
-
- # The matrix element.
- if isinstance(daeg[i][j], str):
- line = line + daeg[i][j] + " "
- else:
- val = "%s" % int(daeg[i, j])
- string = ['0', '0', '0', '0']
- for k in range(1, len(val)+1):
- string[-k] = val[-k]
- string = '%s%s%s%s' % (string[0], string[1], string[2],
string[3])
- line = line + string + " "
-
- print(line + '|')
- print('')
-
-
- def string_transpose(self, index1, index2):
- """Manually transpose self.daeg_str using the 2 given indices."""
-
- # Initialise the matrix.
- daegT = []
-
- # The string indices.
- indices = list(range(4))
- temp = indices[index1-1]
- indices[index1-1] = indices[index2-1]
- indices[index2-1] = temp
-
- # Loop over the elements.
- for i in range(9):
- daegT.append([])
- for j in range(9):
- elem = self.daeg_str[i][j]
- daegT[-1].append('%s%s%s%s' % (elem[indices[0]],
elem[indices[1]], elem[indices[2]], elem[indices[3]]))
-
- # Return.
- return daegT
-
-
- def to_numpy(self, tensor):
- """Convert the string version of the tensor into a numpy version."""
-
- # Initialise.
- new = zeros((9, 9), float64)
-
- # Loop over the elements.
- for i in range(9):
- for j in range(9):
- new[i, j] = float(tensor[i][j])
-
- # Return the tensor.
- return new
-
-
- def test_kron_prod(self):
+ def test_matrix_exponential(self):
"""Test the Kronecker product function kron_prod()."""
# The 3D, rank-2 matrices.
- R1 = array([[1, 4, 5], [-4, 2, 6], [-5, -6, 3]], float64)
- R2 = array([[0, 1, 0], [0, 0, 0], [0, 0, 0]], float64)
+ R1 = array([[1, 4, 5],
+ [-4, 2, 6],
+ [-5, -6, 3]], float64)
+ R2 = array([[0, 1, 0],
+ [0, 0, 0],
+ [0, 0, 0]], float64)
- # The Kronecker product.
- C = kron_prod(R1, R2)
+ # The real matrix exponentials.
+ eR1 = array([[-1.242955024379687, -3.178944439554645,
6.804083368075889],
+ [-6.545353831891249, -2.604941866769356,
1.228233941393001],
+ [ 0.975355249080821, -7.711099455690256,
-3.318642157729292]], float64)
+ eR2 = array([[ 1., 0., 0.],
+ [ 0., 1., 0.],
+ [ 0., 0., 1.]], float64)
- # The real Kronecker product!
- D = array([
- [ 0, 1, 0, 0, 4, 0, 0, 5, 0],
- [ 0, 0, 0, 0, 0, 0, 0, 0, 0],
- [ 0, 0, 0, 0, 0, 0, 0, 0, 0],
- [ 0, -4, 0, 0, 2, 0, 0, 6, 0],
- [ 0, 0, 0, 0, 0, 0, 0, 0, 0],
- [ 0, 0, 0, 0, 0, 0, 0, 0, 0],
- [ 0, -5, 0, 0, -6, 0, 0, 3, 0],
- [ 0, 0, 0, 0, 0, 0, 0, 0, 0],
- [ 0, 0, 0, 0, 0, 0, 0, 0, 0]], float64)
-
- # Print outs.
- print("R1:\n%s" % R1)
- print("R2:\n%s" % R2)
- print("C:\n%s" % C)
- print("D:\n%s" % D)
+ # The maths.
+ eR1_test = matrix_exponential(R1)
+ eR2_test = matrix_exponential(R2)
# Checks.
- self.assertEqual(C.shape, (9, 9))
- for i in range(9):
- for j in range(9):
- self.assertEqual(C[i, j], D[i, j])
-
-
- def test_transpose_12(self):
- """Check the 1,2 transpose of a rank-4, 3D tensor."""
-
- # Manually create the string rep of the transpose.
- daegT = self.string_transpose(1, 2)
- print("The real 1,2 transpose:")
- self.print_nice(daegT)
-
- # Convert to numpy.
- daegT = self.to_numpy(daegT)
-
- # Check.
- print("The numerical 1,2 transpose:")
- transpose_12(self.daeg)
- self.print_nice(self.daeg)
- for i in range(9):
- for j in range(9):
- print("i = %2s, j = %2s, daeg[i,j] = %s" % (i, j, daegT[i,
j]))
- self.assertEqual(self.daeg[i, j], daegT[i, j])
-
-
- def test_transpose_13(self):
- """Check the 1,3 transpose of a rank-4, 3D tensor."""
-
- # Manually create the string rep of the transpose.
- daegT = self.string_transpose(1, 3)
- print("The real 1,3 transpose:")
- self.print_nice(daegT)
-
- # Convert to numpy.
- daegT = self.to_numpy(daegT)
-
- # Check.
- print("The numerical 1,3 transpose:")
- transpose_13(self.daeg)
- self.print_nice(self.daeg)
- for i in range(9):
- for j in range(9):
- print("i = %2s, j = %2s, daeg[i,j] = %s" % (i, j, daegT[i,
j]))
- self.assertEqual(self.daeg[i, j], daegT[i, j])
-
-
- def test_transpose_14(self):
- """Check the 1,4 transpose of a rank-4, 3D tensor."""
-
- # Manually create the string rep of the transpose.
- daegT = self.string_transpose(1, 4)
- print("The real 1,4 transpose:")
- self.print_nice(daegT)
-
- # Convert to numpy.
- daegT = self.to_numpy(daegT)
-
- # Check.
- print("The numerical 1,4 transpose:")
- transpose_14(self.daeg)
- self.print_nice(self.daeg)
- for i in range(9):
- for j in range(9):
- print("i = %2s, j = %2s, daeg[i,j] = %s" % (i, j, daegT[i,
j]))
- self.assertEqual(self.daeg[i, j], daegT[i, j])
-
-
- def test_transpose_23(self):
- """Check the 2,3 transpose of a rank-4, 3D tensor."""
-
- # Manually create the string rep of the transpose.
- daegT = self.string_transpose(2, 3)
- print("The real 2,3 transpose:")
- self.print_nice(daegT)
-
- # Convert to numpy.
- daegT = self.to_numpy(daegT)
-
- # Check.
- print("The numerical 2,3 transpose:")
- transpose_23(self.daeg)
- self.print_nice(self.daeg)
- for i in range(9):
- for j in range(9):
- print("i = %2s, j = %2s, daeg[i,j] = %s" % (i, j, daegT[i,
j]))
- self.assertEqual(self.daeg[i, j], daegT[i, j])
-
-
- def test_transpose_24(self):
- """Check the 2,4 transpose of a rank-4, 3D tensor."""
-
- # Manually create the string rep of the transpose.
- daegT = self.string_transpose(2, 4)
- print("The real 2,4 transpose:")
- self.print_nice(daegT)
-
- # Convert to numpy.
- daegT = self.to_numpy(daegT)
-
- # Check.
- print("The numerical 2,4 transpose:")
- transpose_24(self.daeg)
- self.print_nice(self.daeg)
- for i in range(9):
- for j in range(9):
- print("i = %2s, j = %2s, daeg[i,j] = %s" % (i, j, daegT[i,
j]))
- self.assertEqual(self.daeg[i, j], daegT[i, j])
-
-
- def test_transpose_34(self):
- """Check the 3,4 transpose of a rank-4, 3D tensor."""
-
- # Manually create the string rep of the transpose.
- daegT = self.string_transpose(3, 4)
- print("The real 3,4 transpose:")
- self.print_nice(daegT)
-
- # Convert to numpy.
- daegT = self.to_numpy(daegT)
-
- # Check.
- print("The numerical 3,4 transpose:")
- transpose_34(self.daeg)
- self.print_nice(self.daeg)
- for i in range(9):
- for j in range(9):
- print("i = %2s, j = %2s, daeg[i,j] = %s" % (i, j, daegT[i,
j]))
- self.assertEqual(self.daeg[i, j], daegT[i, j])
-
-
- def test_transpose_reversions(self):
- """Check that the transposes revert back to the original matrix."""
-
- # Make a copy of the frame order matrix.
- daeg_orig = self.to_numpy(self.daeg_str)
-
- # List of transpose functions.
- Tij = [transpose_12, transpose_13, transpose_14, transpose_23,
transpose_24, transpose_34]
-
- # Check the transpose reversions.
- for transpose in Tij:
- # Transpose twice.
- transpose(self.daeg)
- transpose(self.daeg)
-
- # Check.
- for i in range(9):
- for j in range(9):
- print("i = %2s, j = %2s, daeg[i,j] = %s" % (i, j,
daeg_orig[i, j]))
- self.assertEqual(self.daeg[i, j], daeg_orig[i, j])
+ for i in range(3):
+ for j in range(3):
+ self.assertEqual(eR1_test[i, j], eR1[i, j])
+ self.assertEqual(eR2_test[i, j], eR2[i, j])
r21103 - in /trunk/test_suite/unit_tests/_lib/_linear_algebra: __init__.py test_matrix_exponential.py