Author: bugman
Date: Fri Nov 22 16:59:51 2013
New Revision: 21606
URL: http://svn.gna.org/viewcvs/relax?rev=21606&view=rev
Log:
Fixes for a number of dispersion system tests due to the higher accuracy of
the tau_CPMG values.
This is required as the tau_CPMG values have been corrected to eliminate user
input truncation
artifacts.
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=21606&r1=21605&r2=21606&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Fri Nov 22
16:59:51 2013
@@ -645,12 +645,12 @@
print("%-20s %20.15g %20.15g" % ("dw", spin70.dw, spin71.dw))
print("%-20s %20.15g %20.15g" % ("kex", spin70.kex, spin71.kex))
print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2))
- self.assertAlmostEqual(spin70.r2[r20_key1], 6.95806310993774, 4)
- self.assertAlmostEqual(spin70.r2[r20_key2], 9.39655613780752, 4)
- self.assertAlmostEqual(spin70.pA, 0.989701113865134, 4)
- self.assertAlmostEqual(spin70.dw, 5.67340333496965, 3)
- self.assertAlmostEqual(spin70.kex/10000, 1713.50931613732/10000, 4)
- self.assertAlmostEqual(spin70.chi2, 52.5102634026556, 4)
+ self.assertAlmostEqual(spin70.r2[r20_key1], 6.95795403349439, 4)
+ self.assertAlmostEqual(spin70.r2[r20_key2], 9.39604008488758, 4)
+ self.assertAlmostEqual(spin70.pA, 0.98970139808133, 4)
+ self.assertAlmostEqual(spin70.dw, 5.67349284912365, 3)
+ self.assertAlmostEqual(spin70.kex/10000, 1713.71593906632/10000, 4)
+ self.assertAlmostEqual(spin70.chi2, 52.5106946212627, 4)
#self.assertAlmostEqual(spin71.r2[r20_key1], 4.91137529958506, 2)
#self.assertAlmostEqual(spin71.pA, 0.907789033045004, 2)
#self.assertAlmostEqual(spin71.dw, 5.4874818123363, 2)
@@ -1033,19 +1033,20 @@
print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2))
# Checks for residue :70.
- self.assertAlmostEqual(spin70.r2[r20_key1], 6.95795694679162, 4)
- self.assertAlmostEqual(spin70.r2[r20_key2], 9.39610416109471, 4)
- self.assertAlmostEqual(spin70.pA, 0.989701013011377, 4)
- self.assertAlmostEqual(spin70.dw, 5.67328149261418, 4)
- self.assertAlmostEqual(spin70.kex/1000, 1713.76920467368/1000, 4)
- self.assertAlmostEqual(spin70.chi2, 52.5099640741449, 4)
+ self.assertAlmostEqual(spin70.r2[r20_key1], 6.95797760459016, 4)
+ self.assertAlmostEqual(spin70.r2[r20_key2], 9.39628959312699, 4)
+ self.assertAlmostEqual(spin70.pA, 0.989700985380975, 4)
+ self.assertAlmostEqual(spin70.dw, 5.6733714171086, 4)
+ self.assertAlmostEqual(spin70.kex/1000, 1713.63101361545/1000, 4)
+ self.assertAlmostEqual(spin70.chi2, 52.5106928523775, 4)
# Checks for residue :71.
- self.assertAlmostEqual(spin71.r2[r20_key1], 4.99893524108981, 4)
- self.assertAlmostEqual(spin71.pA, 0.986709616684097, 4)
- self.assertAlmostEqual(spin71.dw, 2.09245158280905, 4)
- self.assertAlmostEqual(spin71.kex/1000, 2438.2766211401/1000, 4)
- self.assertAlmostEqual(spin71.chi2, 15.1642847949709, 4)
+ self.assertAlmostEqual(spin71.r2[r20_key1], 4.99893565849977, 4)
+ self.assertAlmostEqual(spin71.r2[r20_key2], 6.89825625944034, 4)
+ self.assertAlmostEqual(spin71.pA, 0.986716058519642, 4)
+ self.assertAlmostEqual(spin71.dw, 2.09292495350993, 4)
+ self.assertAlmostEqual(spin71.kex/1000, 2438.04423541463/1000, 4)
+ self.assertAlmostEqual(spin71.chi2, 15.164490242352, 4)
# Test the conversion to k_AB from kex and pA.
self.assertEqual(spin70.k_AB, spin70.kex * (1.0 - spin70.pA))
@@ -1101,22 +1102,24 @@
print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2))
# Checks for residue :70.
- self.assertAlmostEqual(spin70.r2a[r20_key1], 6.61176532590473, 4)
- self.assertAlmostEqual(spin70.r2b[r20_key1], 7.50387899360875, 4)
- self.assertAlmostEqual(spin70.r2a[r20_key2], 7.78314290779931, 4)
- self.assertAlmostEqual(spin70.r2b[r20_key2], 141.585225743845, 4)
- self.assertAlmostEqual(spin70.pA, 0.98840608988332, 4)
- self.assertAlmostEqual(spin70.dw, 5.44990211080455, 4)
- self.assertAlmostEqual(spin70.kex/1000, 1934.05528550868/1000, 4)
- self.assertAlmostEqual(spin70.chi2, 44.6789561382883, 4)
+ self.assertAlmostEqual(spin70.r2a[r20_key1], 6.61176004043484, 4)
+ self.assertAlmostEqual(spin70.r2b[r20_key1], 7.4869316381241, 4)
+ self.assertAlmostEqual(spin70.r2a[r20_key2], 7.78200386067591, 4)
+ self.assertAlmostEqual(spin70.r2b[r20_key2], 141.703593742468, 4)
+ self.assertAlmostEqual(spin70.pA, 0.988404987055969, 4)
+ self.assertAlmostEqual(spin70.dw, 5.4497360203213, 4)
+ self.assertAlmostEqual(spin70.kex/1000, 1934.09304607082/1000, 4)
+ self.assertAlmostEqual(spin70.chi2, 44.6793752187925, 4)
# Checks for residue :71.
- self.assertAlmostEqual(spin71.r2a[r20_key1], 4.60134401711913, 4)
- self.assertAlmostEqual(spin71.r2b[r20_key1], 13.3245503606781, 4)
- self.assertAlmostEqual(spin71.pA, 0.966573490518814, 4)
- self.assertAlmostEqual(spin71.dw, 1.41898411078669, 4)
- self.assertAlmostEqual(spin71.kex/1000, 2580.65330607009/1000, 4)
- self.assertAlmostEqual(spin71.chi2, 13.4934982977585, 4)
+ self.assertAlmostEqual(spin71.r2a[r20_key1], 4.6013095731966, 4)
+ self.assertAlmostEqual(spin71.r2b[r20_key1], 13.3245678276332, 4)
+ self.assertAlmostEqual(spin71.r2a[r20_key2], 2.08243621257779, 4)
+ self.assertAlmostEqual(spin71.r2b[r20_key2], 153.355765094575, 4)
+ self.assertAlmostEqual(spin71.pA, 0.9665748685124, 4)
+ self.assertAlmostEqual(spin71.dw, 1.41898001408953, 4)
+ self.assertAlmostEqual(spin71.kex/1000, 2580.65795560688/1000, 4)
+ self.assertAlmostEqual(spin71.chi2, 13.4937006732165, 4)
# Test the conversion to k_AB from kex and pA.
self.assertEqual(spin70.k_AB, spin70.kex * (1.0 - spin70.pA))
@@ -1168,19 +1171,20 @@
print("%-20s %20.15g %20.15g\n" % ("chi2", spin70.chi2, spin71.chi2))
# Checks for residue :70.
- self.assertAlmostEqual(spin70.r2[r20_key1], 6.95829033663875, 4)
- self.assertAlmostEqual(spin70.r2[r20_key2], 9.39674323197639, 4)
- self.assertAlmostEqual(spin70.pA, 0.989701049802211, 4)
- self.assertAlmostEqual(spin70.dw, 5.67313187621229, 4)
- self.assertAlmostEqual(spin70.kex/1000, 1713.57057149201/1000, 4)
- self.assertAlmostEqual(spin70.chi2, 52.5102661179048, 4)
+ self.assertAlmostEqual(spin70.r2[r20_key1], 6.9580924599737, 4)
+ self.assertAlmostEqual(spin70.r2[r20_key2], 9.39653925942454, 4)
+ self.assertAlmostEqual(spin70.pA, 0.989701162762885, 4)
+ self.assertAlmostEqual(spin70.dw, 5.67331932250604, 4)
+ self.assertAlmostEqual(spin70.kex/1000, 1713.56202177775/1000, 4)
+ self.assertAlmostEqual(spin70.chi2, 52.510685225092, 4)
# Checks for residue :71.
- self.assertAlmostEqual(spin71.r2[r20_key1], 4.9987905893561, 4)
- self.assertAlmostEqual(spin71.pA, 0.986713290846574, 4)
- self.assertAlmostEqual(spin71.dw, 2.09275303403072, 4)
- self.assertAlmostEqual(spin71.kex/1000, 2438.21226109404/1000, 4)
- self.assertAlmostEqual(spin71.chi2, 15.1644155088296, 4)
+ self.assertAlmostEqual(spin71.r2[r20_key1], 4.99888477245306, 4)
+ self.assertAlmostEqual(spin71.r2[r20_key2], 6.89804393936759, 4)
+ self.assertAlmostEqual(spin71.pA, 0.986705757536079, 4)
+ self.assertAlmostEqual(spin71.dw, 2.09219403018313, 4)
+ self.assertAlmostEqual(spin71.kex/1000, 2438.48401194464/1000, 4)
+ self.assertAlmostEqual(spin71.chi2, 15.1644881118593, 4)
# Test the conversion to k_AB from kex and pA.
self.assertEqual(spin70.k_AB, spin70.kex * (1.0 - spin70.pA))
r21606 - /branches/relax_disp/test_suite/system_tests/relax_disp.py