Author: bugman
Date: Mon Jun 16 11:11:13 2014
New Revision: 23972
URL: http://svn.gna.org/viewcvs/relax?rev=23972&view=rev
Log:
Updated all of the CaM frame order system tests for the recent speed up
(r23970).
The speed up switched to the use of numpy.tensordot() for shifting each
Sobol' rotation into the
eigenframe rather than the previous numpy.dot(). Strangely this affects the
precision and hence the
chi-squared value calculated for each system test - both increasing and
decreasing it randomly.
Modified:
branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/frame_order.py?rev=23972&r1=23971&r2=23972&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
(original)
+++ branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Mon
Jun 16 11:11:13 2014
@@ -336,7 +336,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(opt=True)
self.interpreter.run(script_file=self.cam_path+'iso_cone.py')
- self.check_chi2(0.043800618552313021)
+ self.check_chi2(0.047612694541267306)
def test_cam_iso_cone_pcs(self):
@@ -345,7 +345,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'iso_cone.py')
- self.check_chi2(0.003874070256189294)
+ self.check_chi2(0.0061842204344042893)
def test_cam_iso_cone_rdc(self):
@@ -363,7 +363,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor.py')
- self.check_chi2(0.011949107884566126)
+ self.check_chi2(0.011415327448793875)
def test_cam_iso_cone_free_rotor_pcs(self):
@@ -372,7 +372,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor.py')
- self.check_chi2(0.00096270481839987672)
+ self.check_chi2(0.00042892438262762632)
def test_cam_iso_cone_free_rotor_rdc(self):
@@ -390,7 +390,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor2.py')
- self.check_chi2(0.0057702045844150304)
+ self.check_chi2(0.0056966373642729001)
def test_cam_iso_cone_free_rotor2_pcs(self):
@@ -399,7 +399,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor2.py')
- self.check_chi2(0.00021125770234561278)
+ self.check_chi2(0.00013769048220348243)
def test_cam_iso_cone_free_rotor2_rdc(self):
@@ -417,7 +417,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'iso_cone_torsionless.py')
- self.check_chi2(0.048763839080641164)
+ self.check_chi2(0.048930632669473069)
def test_cam_iso_cone_torsionless_pcs(self):
@@ -426,7 +426,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'iso_cone_torsionless.py')
- self.check_chi2(1.4636860695480846e-05)
+ self.check_chi2(0.0001814304495273832)
def test_cam_iso_cone_torsionless_rdc(self):
@@ -444,7 +444,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(opt=True)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse.py')
- self.check_chi2(0.035375873486145099)
+ self.check_chi2(0.095532916480061611)
def test_cam_pseudo_ellipse_pcs(self):
@@ -453,7 +453,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse.py')
- self.check_chi2(0.0042333410710150678)
+ self.check_chi2(0.06846727616648722)
def test_cam_pseudo_ellipse_rdc(self):
@@ -471,7 +471,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse2.py')
- self.check_chi2(0.019236098257893068)
+ self.check_chi2(0.023514665851808478)
def test_cam_pseudo_ellipse2_pcs(self):
@@ -480,7 +480,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse2.py')
- self.check_chi2(0.0011064853022441333)
+ self.check_chi2(0.0053850528961595428)
def test_cam_pseudo_ellipse2_rdc(self):
@@ -498,7 +498,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_free_rotor.py')
- self.check_chi2(0.037619377557162943)
+ self.check_chi2(0.040323769571682724)
def test_cam_pseudo_ellipse_free_rotor_pcs(self):
@@ -507,7 +507,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_free_rotor.py')
- self.check_chi2(0.00064406864417855384)
+ self.check_chi2(0.0033484606586983408)
def test_cam_pseudo_ellipse_free_rotor_rdc(self):
@@ -525,7 +525,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_torsionless.py')
- self.check_chi2(0.10567214407060189)
+ self.check_chi2(0.22611932575925126)
def test_cam_pseudo_ellipse_torsionless_pcs(self):
@@ -534,7 +534,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_torsionless.py')
- self.check_chi2(0.06706388645913583)
+ self.check_chi2(0.18751106814778518)
def test_cam_pseudo_ellipse_torsionless_rdc(self):
@@ -1193,7 +1193,7 @@
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
# Check the chi2 value.
- self.assertAlmostEqual(cdp.chi2, 214008.0946390598)
+ self.assertAlmostEqual(cdp.chi2, 213987.69050708099)
def test_rigid_data_to_iso_cone_model(self):
@@ -1206,7 +1206,7 @@
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
# Check the chi2 value.
- self.assertAlmostEqual(cdp.chi2, 176.21077351279402, 5)
+ self.assertAlmostEqual(cdp.chi2, 176.64674746699848, 5)
def test_rigid_data_to_iso_cone_free_rotor_model(self):
@@ -1219,7 +1219,7 @@
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
# Check the chi2 value.
- self.assertAlmostEqual(cdp.chi2, 101218.55583566194)
+ self.assertAlmostEqual(cdp.chi2, 100674.05302693754)
def test_rigid_data_to_iso_cone_torsionless_model(self):
@@ -1232,7 +1232,7 @@
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
# Check the chi2 value.
- self.assertAlmostEqual(cdp.chi2, 0.60329473329566086, 5)
+ self.assertAlmostEqual(cdp.chi2, 0.85782114196754744, 5)
def test_rigid_data_to_rigid_model(self):
@@ -1258,7 +1258,7 @@
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
# Check the chi2 value.
- self.assertAlmostEqual(cdp.chi2, 0.125368731409432, 5)
+ self.assertAlmostEqual(cdp.chi2, 0.074809769525617603, 5)
def test_rigid_data_to_pseudo_ellipse_model(self):
@@ -1271,7 +1271,7 @@
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
# Check the chi2 value.
- self.assertAlmostEqual(cdp.chi2, 176.76056827320875, 5)
+ self.assertAlmostEqual(cdp.chi2, 177.19654222741323, 5)
def test_rigid_data_to_pseudo_ellipse_torsionless_model(self):
@@ -1284,4 +1284,4 @@
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
# Check the chi2 value.
- self.assertAlmostEqual(cdp.chi2, 2.7993028181695636)
+ self.assertAlmostEqual(cdp.chi2, 2.4741390373203678)
r23972 - /branches/frame_order_cleanup/test_suite/system_tests/frame_order.py