Author: bugman
Date: Tue Oct 15 11:46:02 2013
New Revision: 21110
URL: http://svn.gna.org/viewcvs/relax?rev=21110&view=rev
Log:
Merged revisions 21107-21109 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r21107 | bugman | 2013-10-15 11:31:40 +0200 (Tue, 15 Oct 2013) | 5 lines
Created the lib.check_types.is_complex() function.
This is used to determine if a number is a Python or numpy complex type.
........
r21108 | bugman | 2013-10-15 11:34:11 +0200 (Tue, 15 Oct 2013) | 5 lines
The lib.linear_algebra.matrix_exponential.matrix_exponential() function now
uses lib.check_types.is_complex().
This fixes the function for complex matrices.
........
r21109 | bugman | 2013-10-15 11:45:29 +0200 (Tue, 15 Oct 2013) | 3 lines
Created a new unit test for
lib.linear_algebra.matrix_exponential.matrix_exponential() for complex
matrices.
........
Modified:
branches/relax_disp/ (props changed)
branches/relax_disp/lib/check_types.py
branches/relax_disp/lib/linear_algebra/matrix_exponential.py
branches/relax_disp/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py
Propchange: branches/relax_disp/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Tue Oct 15 11:46:02 2013
@@ -1,1 +1,1 @@
-/trunk:1-21105
+/trunk:1-21109
Modified: branches/relax_disp/lib/check_types.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/check_types.py?rev=21110&r1=21109&r2=21110&view=diff
==============================================================================
--- branches/relax_disp/lib/check_types.py (original)
+++ branches/relax_disp/lib/check_types.py Tue Oct 15 11:46:02 2013
@@ -29,7 +29,11 @@
file = None
except ImportError:
io_module = False
-from numpy import float32, float64
+from numpy import complex64, complex128, float32, float64
+try:
+ from numpy import complex256
+except ImportError:
+ complex256 = complex128 # Support for 32-bit numpy versions.
try:
from numpy import float16
except ImportError:
@@ -38,6 +42,31 @@
from numpy import float128
except ImportError:
float128 = float64 # Support for 32-bit numpy versions.
+
+
+def is_complex(num):
+ """Check if the given number is a Python or numpy complex.
+
+ @param num: The number to check.
+ @type num: anything.
+ @return: True if the number is a complex, False otherwise.
+ @rtype: bool
+ """
+
+ # Standard complex.
+ if isinstance(num, complex):
+ return True
+
+ # Numpy complex numbers.
+ if isinstance(num, complex64):
+ return True
+ if isinstance(num, complex128):
+ return True
+ if isinstance(num, complex256):
+ return True
+
+ # Not a complex.
+ return False
def is_filetype(obj):
Modified: branches/relax_disp/lib/linear_algebra/matrix_exponential.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/linear_algebra/matrix_exponential.py?rev=21110&r1=21109&r2=21110&view=diff
==============================================================================
--- branches/relax_disp/lib/linear_algebra/matrix_exponential.py (original)
+++ branches/relax_disp/lib/linear_algebra/matrix_exponential.py Tue Oct 15
11:46:02 2013
@@ -26,6 +26,9 @@
from numpy import diag, dot, exp, iscomplex
from numpy.linalg import eig, inv
+# relax module imports.
+from lib.check_types import is_complex
+
def matrix_exponential(A):
"""Calculate the exact matrix exponential using the eigenvalue
decomposition approach.
@@ -37,7 +40,7 @@
"""
# Is the original matrix real?
- complex_flag = iscomplex(A[0][0])
+ complex_flag = is_complex(A[0, 0])
# The eigenvalue decomposition.
W, V = eig(A)
Modified:
branches/relax_disp/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py?rev=21110&r1=21109&r2=21110&view=diff
==============================================================================
---
branches/relax_disp/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py
(original)
+++
branches/relax_disp/test_suite/unit_tests/_lib/_linear_algebra/test_matrix_exponential.py
Tue Oct 15 11:46:02 2013
@@ -20,7 +20,7 @@
###############################################################################
# Python module imports.
-from numpy import array, float64, zeros
+from numpy import array, complex64, float64, zeros
from unittest import TestCase
# relax module imports.
@@ -32,7 +32,7 @@
def test_matrix_exponential(self):
- """Test the Kronecker product function kron_prod()."""
+ """Test the matrix exponential function matrix_exponential() with
real matrices."""
# The 3D, rank-2 matrices.
R1 = array([[1, 4, 5],
@@ -54,8 +54,37 @@
eR1_test = matrix_exponential(R1)
eR2_test = matrix_exponential(R2)
+ # Printouts.
+ print("Real matrix:\n%s" % eR1)
+ print("Calculated matrix:\n%s" % eR1_test)
+
# Checks.
for i in range(3):
for j in range(3):
self.assertAlmostEqual(eR1_test[i, j], eR1[i, j])
self.assertAlmostEqual(eR2_test[i, j], eR2[i, j])
+
+
+ def test_matrix_exponential2(self):
+ """Test the matrix exponential function matrix_exponential() with
complex matrices."""
+
+ # The 3D, rank-2 matrix.
+ R1 = array([[-0.024156250059605+0.j, 0.021093750372529+0.j],
+ [ 0.021093750372529+0.j,
-0.024156250059605-0.587233662605286j]], complex64)
+
+ # The real matrix exponentials.
+ eR1 = array([[ 0.976344227790833 -4.17836126871407e-05j,
0.0194285903126001 -0.00587434694170952j],
+ [ 0.0194285865873098 -0.00587435066699982j,
0.812806785106659 -0.540918707847595j]], complex64)
+
+ # The maths.
+ eR1_test = matrix_exponential(R1)
+
+ # Printouts.
+ print("Real matrix:\n[%20.15g %20.15gj, %20.15g %20.15gj],\n[%20.15g
%20.15gj, %20.15g %20.15gj]\n" % (eR1[0, 0].real, eR1[0, 0].imag, eR1[0,
1].real, eR1[0, 1].imag, eR1[1, 0].real, eR1[1, 0].imag, eR1[1, 1].real,
eR1[1, 1].imag))
+ print("Calculated matrix:\n[%20.15g %20.15gj, %20.15g
%20.15gj],\n[%20.15g %20.15gj, %20.15g %20.15gj]\n" % (eR1_test[0, 0].real,
eR1_test[0, 0].imag, eR1_test[0, 1].real, eR1_test[0, 1].imag, eR1_test[1,
0].real, eR1_test[1, 0].imag, eR1_test[1, 1].real, eR1_test[1, 1].imag))
+
+ # Checks.
+ for i in range(2):
+ for j in range(2):
+ self.assertAlmostEqual(eR1_test[i, j].real, eR1[i, j].real)
+ self.assertAlmostEqual(eR1_test[i, j].imag, eR1[i, j].imag)
r21110 - in /branches/relax_disp: ./ lib/ lib/linear_algebra/ test_suite/unit_tests/_lib/_linear_algebra/