Hi Ed.
This fails at my place:
relax -s Relax_disp.test_lm63_3site_synthetic
Parameter Value (:1) Value (:2)
R2 (500 MHz) 18.137279173991 18.0449271425147
R2 (800 MHz) 27.1367917624818 22.3269175748027
phi_ex_B 0.121830812840997 0.00564843080529186
phi_ex_C 0.0988995384542201 0.400393216690219
kB 2215.63290487449 1092.46004735906
kC 8513.79178045598 4229.93651091873
chi2 89.6966887535688 1.76098022563991
Traceback (most recent call last):
File
"/Users/tlinnet/software/relax_trunk/test_suite/system_tests/relax_disp.py",
line 3830, in test_lm63_3site_synthetic
self.assertAlmostEqual(spin1.r2[r20_key1], 12.0, 2)
AssertionError: 18.137279173990979 != 12.0 within 2 places
---------- Forwarded message ----------
From: <tlinnet@xxxxxxxxxxxxx>
Date: 2014-06-17 12:20 GMT+02:00
Subject: r24023 -
/branches/disp_spin_speed/test_suite/system_tests/relax_disp.py
To: relax-commits@xxxxxxx
Author: tlinnet
Date: Tue Jun 17 12:20:15 2014
New Revision: 24023
URL: http://svn.gna.org/viewcvs/relax?rev=24023&view=rev
Log:
Fix for systemtest test_korzhnev_2005_all_data_disp_speed_bug.
The precision is lowered, and now matches the original systemtest.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion
models for Clustered analysis.
Modified:
branches/disp_spin_speed/test_suite/system_tests/relax_disp.py
Modified: branches/disp_spin_speed/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/system_tests/relax_disp.py?rev=24023&r1=24022&r2=24023&view=diff
==============================================================================
--- branches/disp_spin_speed/test_suite/system_tests/relax_disp.py
(original)
+++ branches/disp_spin_speed/test_suite/system_tests/relax_disp.py Tue
Jun 17 12:20:15 2014
@@ -3618,9 +3618,8 @@
spin.dwH = -0.27258970590969
spin.kex = 360.516132791038
- # Low precision optimisation.
- #self.interpreter.grid_search(lower=None, upper=None, inc=10,
constraints=True, verbosity=1)
- self.interpreter.minimise(min_algor='simplex', func_tol=1e-05,
max_iter=1)
+ # Calc the chi2 values at these parameters.
+ self.interpreter.calc(verbosity=1)
# Printout.
print("\n\nOptimised parameters:\n")
@@ -3650,7 +3649,7 @@
print("%-20s %20.15g\n" % ("chi2", spin.chi2))
# Checks for residue :9.
- self.assertAlmostEqual(spin.chi2, 162.511988511609, 3)
+ self.assertAlmostEqual(spin.chi2/1000, 162.511988511609/1000, 3)
def test_kteilum_fmpoulsen_makke_cpmg_data_048m_guhcl_to_cr72(self):
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