Author: tlinnet
Date: Mon May 26 16:27:27 2014
New Revision: 23425
URL: http://svn.gna.org/viewcvs/relax?rev=23425&view=rev
Log:
Deleted unit test case for lm63 3site.
Removed:
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_lm63_3site.py
Removed:
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_lm63_3site.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_lm63_3site.py?rev=23424&view=auto
==============================================================================
---
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_lm63_3site.py
(original)
+++
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_lm63_3site.py
(removed)
@@ -1,165 +0,0 @@
-###############################################################################
-#
#
-# Copyright (C) 2014 Edward d'Auvergne
#
-# Copyright (C) 2014 Troels E. Linnet
#
-#
#
-# This file is part of the program relax (http://www.nmr-relax.com).
#
-#
#
-# This program is free software: you can redistribute it and/or modify
#
-# it under the terms of the GNU General Public License as published by
#
-# the Free Software Foundation, either version 3 of the License, or
#
-# (at your option) any later version.
#
-#
#
-# This program is distributed in the hope that it will be useful,
#
-# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
-# GNU General Public License for more details.
#
-#
#
-# You should have received a copy of the GNU General Public License
#
-# along with this program. If not, see <http://www.gnu.org/licenses/>.
#
-#
#
-###############################################################################
-
-# Python module imports.
-from numpy import array, float64, int16, pi, zeros
-from unittest import TestCase
-
-# relax module imports.
-from lib.dispersion.lm63 import r2eff_LM63
-
-
-class Test_lm63(TestCase):
- """Unit tests for the lib.dispersion.lm63 relax module."""
-
- def setUp(self):
- """Set up for all unit tests."""
-
- # Default parameter values.
- self.r20 = 2.0
- self.pA = 0.9
- self.dw = 0.5
- self.kex = 100.0
-
- # The spin Larmor frequencies.
- self.sfrq = 599.8908617*1E6
-
- # Required data structures.
- self.num_points = 3
- self.cpmg_frqs = array([[2.5, 1.25, 0.83]], float64)
- self.R2eff = zeros(3, float64)
-
-
- def calc_r2eff(self):
- """Calculate and check the R2eff values."""
-
- # Parameter conversions.
- phi_ex_scaled = self.param_conversion(pA=self.pA, dw=self.dw,
sfrq=self.sfrq)
-
- # Calculate the R2eff values.
- R2eff = r2eff_LM63(r20=self.r20, phi_ex=phi_ex_scaled, kex=self.kex,
cpmg_frqs=self.cpmg_frqs, num_points=self.num_points)
- # Check all R2eff values.
- for i in range(self.num_points):
- self.assertAlmostEqual(R2eff[i], self.r20)
-
-
- def param_conversion(self, pA=None, dw=None, sfrq=None):
- """Convert the parameters.
-
- @keyword pA: The population of state A.
- @type pA: float
- @keyword dw: The chemical exchange difference between states A
and B in ppm.
- @type dw: float
- @keyword sfrq: The spin Larmor frequencies in Hz.
- @type sfrq: float
- @return: The parameters phi_ex_scaled
- @rtype: float
- """
-
- # Calculate pB.
- pB = 1.0 - pA
-
- # Calculate spin Larmor frequencies in 2pi.
- frqs = sfrq * 2 * pi
-
- # The phi_ex parameter value (pA * pB * delta_omega^2).
- phi_ex = pA * pB * dw**2
-
- # Convert phi_ex from ppm^2 to (rad/s)^2.
- phi_ex_scaled = phi_ex * frqs**2
-
- # Return all values.
- return phi_ex_scaled
-
-
- def test_lm63_no_rex1(self):
- """Test the r2eff_lm63() function for no exchange when dw = 0.0."""
-
- # Parameter reset.
- self.dw = 0.0
-
- # Calculate and check the R2eff values.
- self.calc_r2eff()
-
-
- def test_lm63_no_rex2(self):
- """Test the r2eff_lm63() function for no exchange when pA = 1.0."""
-
- # Parameter reset.
- self.pA = 1.0
-
- # Calculate and check the R2eff values.
- self.calc_r2eff()
-
-
- def test_lm63_no_rex3(self):
- """Test the r2eff_lm63() function for no exchange when kex = 0.0."""
-
- # Parameter reset.
- self.kex = 0.0
-
- # Calculate and check the R2eff values.
- self.calc_r2eff()
-
-
- def test_lm63_no_rex4(self):
- """Test the r2eff_lm63() function for no exchange when dw = 0.0 and
pA = 1.0."""
-
- # Parameter reset.
- self.pA = 1.0
- self.dw = 0.0
-
- # Calculate and check the R2eff values.
- self.calc_r2eff()
-
-
- def test_lm63_no_rex5(self):
- """Test the r2eff_lm63() function for no exchange when dw = 0.0 and
kex = 0.0."""
-
- # Parameter reset.
- self.dw = 0.0
- self.kex = 0.0
-
- # Calculate and check the R2eff values.
- self.calc_r2eff()
-
-
- def test_lm63_no_rex6(self):
- """Test the r2eff_lm63() function for no exchange when pA = 1.0 and
kex = 0.0."""
-
- # Parameter reset.
- self.pA = 1.0
- self.kex = 0.0
-
- # Calculate and check the R2eff values.
- self.calc_r2eff()
-
-
- def test_lm63_no_rex7(self):
- """Test the r2eff_lm63() function for no exchange when dw = 0.0, pA
= 1.0, and kex = 0.0."""
-
- # Parameter reset.
- self.dw = 0.0
- self.kex = 0.0
-
- # Calculate and check the R2eff values.
- self.calc_r2eff()
r23425 - /branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_lm63_3site.py