Author: tlinnet
Date: Mon May 26 13:38:07 2014
New Revision: 23413
URL: http://svn.gna.org/viewcvs/relax?rev=23413&view=rev
Log:
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'CR72'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e5,
Modified:
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/__init__.py
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py
Modified:
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/__init__.py?rev=23413&r1=23412&r2=23413&view=diff
==============================================================================
--- branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/__init__.py
(original)
+++ branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/__init__.py
Mon May 26 13:38:07 2014
@@ -24,6 +24,7 @@
__all__ = [
'test___init__',
'test_b14',
+ 'test_cr72',
'test_dpl94',
'test_lm63',
'test_ns_cpmg_2site_expanded'
Modified:
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py?rev=23413&r1=23412&r2=23413&view=diff
==============================================================================
--- branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py
(original)
+++ branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py
Mon May 26 13:38:07 2014
@@ -24,11 +24,11 @@
from unittest import TestCase
# relax module imports.
-from lib.dispersion.b14 import r2eff_B14
+from lib.dispersion.cr72 import r2eff_CR72
-class Test_b14(TestCase):
- """Unit tests for the lib.dispersion.b14 relax module."""
+class Test_cr72(TestCase):
+ """Unit tests for the lib.dispersion.cr72 relax module."""
def setUp(self):
"""Set up for all unit tests."""
@@ -44,9 +44,7 @@
self.num_points = 7
self.ncyc = array([2, 4, 8, 10, 20, 40, 500])
relax_times = 0.04
- cpmg_frqs = self.ncyc / relax_times
- self.inv_relax_times = 1.0 / relax_times
- self.tau_cpmg = 0.25 / cpmg_frqs
+ self.cpmg_frqs = self.ncyc / relax_times
# The spin Larmor frequencies.
self.sfrq = 200. * 1E6
@@ -58,7 +56,7 @@
k_AB, k_BA, pB, dw_frq = self.param_conversion(pA=self.pA,
kex=self.kex, dw=self.dw, sfrq=self.sfrq)
# Calculate the R2eff values.
- R2eff = r2eff_B14(r20a=self.r20a, r20b=self.r20b, pA=self.pA, pB=pB,
dw=dw_frq, kex=self.kex, k_AB=k_AB, k_BA=k_BA, ncyc=self.ncyc,
inv_tcpmg=self.inv_relax_times, tcp=self.tau_cpmg, num_points=self.num_points)
+ R2eff = r2eff_CR72(r20a=self.r20a, r20b=self.r20b, pA=self.pA,
dw=dw_frq, kex=self.kex, cpmg_frqs=self.cpmg_frqs, num_points=self.num_points)
# Check all R2eff values.
for i in range(self.num_points):
@@ -97,8 +95,8 @@
return k_AB, k_BA, pB, dw_frq
- def test_b14_no_rex1(self):
- """Test the r2eff_b14() function for no exchange when dw = 0.0."""
+ def test_cr72_no_rex1(self):
+ """Test the r2eff_cr72() function for no exchange when dw = 0.0."""
# Parameter reset.
self.dw = 0.0
@@ -107,8 +105,8 @@
self.calc_r2eff()
- def test_b14_no_rex2(self):
- """Test the r2eff_b14() function for no exchange when pA = 1.0."""
+ def test_cr72_no_rex2(self):
+ """Test the r2eff_cr72() function for no exchange when pA = 1.0."""
# Parameter reset.
self.pA = 1.0
@@ -117,8 +115,8 @@
self.calc_r2eff()
- def test_b14_no_rex3(self):
- """Test the r2eff_b14() function for no exchange when kex = 0.0."""
+ def test_cr72_no_rex3(self):
+ """Test the r2eff_cr72() function for no exchange when kex = 0.0."""
# Parameter reset.
self.kex = 0.0
@@ -127,8 +125,8 @@
self.calc_r2eff()
- def test_b14_no_rex4(self):
- """Test the r2eff_b14() function for no exchange when dw = 0.0 and
pA = 1.0."""
+ def test_cr72_no_rex4(self):
+ """Test the r2eff_cr72() function for no exchange when dw = 0.0 and
pA = 1.0."""
# Parameter reset.
self.pA = 1.0
@@ -138,8 +136,8 @@
self.calc_r2eff()
- def test_b14_no_rex5(self):
- """Test the r2eff_b14() function for no exchange when dw = 0.0 and
kex = 0.0."""
+ def test_cr72_no_rex5(self):
+ """Test the r2eff_cr72() function for no exchange when dw = 0.0 and
kex = 0.0."""
# Parameter reset.
self.dw = 0.0
@@ -149,8 +147,8 @@
self.calc_r2eff()
- def test_b14_no_rex6(self):
- """Test the r2eff_b14() function for no exchange when pA = 1.0 and
kex = 0.0."""
+ def test_cr72_no_rex6(self):
+ """Test the r2eff_cr72() function for no exchange when pA = 1.0 and
kex = 0.0."""
# Parameter reset.
self.pA = 1.0
@@ -160,8 +158,8 @@
self.calc_r2eff()
- def test_b14_no_rex7(self):
- """Test the r2eff_b14() function for no exchange when dw = 0.0, pA =
1.0, and kex = 0.0."""
+ def test_cr72_no_rex7(self):
+ """Test the r2eff_cr72() function for no exchange when dw = 0.0, pA
= 1.0, and kex = 0.0."""
# Parameter reset.
self.dw = 0.0
@@ -169,3 +167,12 @@
# Calculate and check the R2eff values.
self.calc_r2eff()
+
+ def test_cr72_no_rex8(self):
+ """Test the r2eff_cr72() function for no exchange when kex = 1e5."""
+
+ # Parameter reset.
+ self.kex = 1e5
+
+ # Calculate and check the R2eff values.
+ self.calc_r2eff()
r23413 - in /branches/disp_speed/test_suite/unit_tests/_lib/_dispersion: __init__.py test_cr72.py