Author: bugman
Date: Fri Jun 7 17:25:57 2013
New Revision: 19953
URL: http://svn.gna.org/viewcvs/relax?rev=19953&view=rev
Log:
Fixes for the parameter checks in the system tests for the r1rho_on_res
synthetic data.
This includes both the Relax_disp.test_r1rho_on_res_fixed_time_m61 and
Relax_disp.test_r1rho_on_res_exponential_m61 tests.
Modified:
branches/relax_disp/test_suite/system_tests/relax_disp.py
Modified: branches/relax_disp/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/relax_disp.py?rev=19953&r1=19952&r2=19953&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Fri Jun 7
17:25:57 2013
@@ -477,7 +477,11 @@
pA = 0.7
kex = 1000.0
delta_omega = [1.0, 2.0]
- keys = ['1000.0', '1500.0', '2000.0', '2500.0', '3000.0', '3500.0',
'4000.0', '4500.0', '5000.0', '5500.0', '6000.0']
+ keys = ['800.0_1000.0', '800.0_1500.0', '800.0_2000.0',
'800.0_2500.0', '800.0_3000.0', '800.0_3500.0', '800.0_4000.0',
'800.0_4500.0', '800.0_5000.0', '800.0_5500.0', '800.0_6000.0']
+ phi_ex = []
+ for i in range(2):
+ phi_ex.append(pA * (1.0 - pA) * delta_omega[i]**2)
+ rates = [[3.59768160399, 2.85730469783, 2.59328084312,
2.47019857325, 2.40310451058, 2.36256876552, 2.33622716364, 2.31815271355,
2.30521680479, 2.29564174079, 2.28835686631], [29.390726416, 26.4292187913,
25.3731233725, 24.880794293, 24.6124180423, 24.4502750621, 24.3449086546,
24.2726108542, 24.2208672192, 24.1825669632, 24.1534274652]]
# Switch to the 'R2eff' model data pipe, then check for each spin.
self.interpreter.pipe.switch('R2eff')
@@ -487,8 +491,8 @@
print("\nSpin %s." % spin_id)
# Check the fitted parameters.
- for key in keys:
- self.assertAlmostEqual(spin.r2eff[key],
r1rho_prime[spin_index])
+ for i in range(len(keys)):
+ self.assertAlmostEqual(spin.r2eff[keys[i]]/10.0,
rates[spin_index][i]/10.0, 2)
# Increment the spin index.
spin_index += 1
@@ -501,9 +505,9 @@
print("\nSpin %s." % spin_id)
# Check the fitted parameters.
- self.assertAlmostEqual(spin.pA, pA)
+ self.assertAlmostEqual(spin.r2[0], r1rho_prime[spin_index], 2)
+ self.assertAlmostEqual(spin.phi_ex, phi_ex[spin_index])
self.assertAlmostEqual(spin.kex, kex)
- self.assertAlmostEqual(spin.delta_omega, delta_omega[spin_index])
# Increment the spin index.
spin_index += 1
@@ -524,7 +528,11 @@
pA = 0.7
kex = 1000.0
delta_omega = [1.0, 2.0]
- keys = ['1000.0', '1500.0', '2000.0', '2500.0', '3000.0', '3500.0',
'4000.0', '4500.0', '5000.0', '5500.0', '6000.0']
+ keys = ['800.0_1000.0', '800.0_1500.0', '800.0_2000.0',
'800.0_2500.0', '800.0_3000.0', '800.0_3500.0', '800.0_4000.0',
'800.0_4500.0', '800.0_5000.0', '800.0_5500.0', '800.0_6000.0']
+ phi_ex = []
+ for i in range(2):
+ phi_ex.append(pA * (1.0 - pA) * delta_omega[i]**2)
+ rates = [[3.59768160399, 2.85730469783, 2.59328084312,
2.47019857325, 2.40310451058, 2.36256876552, 2.33622716364, 2.31815271355,
2.30521680479, 2.29564174079, 2.28835686631], [29.390726416, 26.4292187913,
25.3731233725, 24.880794293, 24.6124180423, 24.4502750621, 24.3449086546,
24.2726108542, 24.2208672192, 24.1825669632, 24.1534274652]]
# Switch to the 'R2eff' model data pipe, then check for each spin.
self.interpreter.pipe.switch('R2eff')
@@ -534,8 +542,8 @@
print("\nSpin %s." % spin_id)
# Check the fitted parameters.
- for key in keys:
- self.assertAlmostEqual(spin.r2eff[key],
r1rho_prime[spin_index])
+ for i in range(len(keys)):
+ self.assertAlmostEqual(spin.r2eff[keys[i]]/10.0,
rates[spin_index][i]/10.0, 2)
# Increment the spin index.
spin_index += 1
@@ -548,9 +556,9 @@
print("\nSpin %s." % spin_id)
# Check the fitted parameters.
- self.assertAlmostEqual(spin.pA, pA)
+ self.assertAlmostEqual(spin.r2[0], r1rho_prime[spin_index], 2)
+ self.assertAlmostEqual(spin.phi_ex, phi_ex[spin_index])
self.assertAlmostEqual(spin.kex, kex)
- self.assertAlmostEqual(spin.delta_omega, delta_omega[spin_index])
# Increment the spin index.
spin_index += 1
r19953 - /branches/relax_disp/test_suite/system_tests/relax_disp.py