Author: bugman
Date: Wed Jun 4 11:24:12 2014
New Revision: 23633
URL: http://svn.gna.org/viewcvs/relax?rev=23633&view=rev
Log:
Increased the precision of all of the CaM frame order system tests by 40
times.
The number of Sobol' integration points have been significantly increased
while only increasing the
frame order system test timings by ~10%. This allows for checking for
chi-squared values at the
minima much closer to zero, and is much better for demonstrating bugs.
Modified:
branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.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=23633&r1=23632&r2=23633&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 Wed
Jun 4 11:24:12 2014
@@ -100,6 +100,7 @@
'test_cam_rotor2_pcs',
'test_cam_rotor2_rdc'
]
+ blacklist = []
# Skip the blacklisted tests.
if skip_tests and methodName in blacklist:
@@ -336,7 +337,7 @@
# 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(4.1803675413260173)
+ self.check_chi2(0.043800618552313021)
def test_cam_iso_cone_pcs(self):
@@ -345,7 +346,7 @@
# 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(4.4504224054021169)
+ self.check_chi2(0.003874070256189294)
def test_cam_iso_cone_rdc(self):
@@ -363,7 +364,7 @@
# 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(0.35092758489647358)
+ self.check_chi2(0.011949107884566126)
def test_cam_iso_cone_free_rotor_pcs(self):
@@ -372,7 +373,7 @@
# 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(0.33994118183030736)
+ self.check_chi2(0.00096270481839987672)
def test_cam_iso_cone_free_rotor_rdc(self):
@@ -390,7 +391,7 @@
# 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(0.056584109409327947)
+ self.check_chi2(0.0057702045844150304)
def test_cam_iso_cone_free_rotor2_pcs(self):
@@ -399,7 +400,7 @@
# 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(0.051025162527258534)
+ self.check_chi2(0.00021125770234561278)
def test_cam_iso_cone_free_rotor2_rdc(self):
@@ -417,7 +418,7 @@
# 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(0.18038652767579536)
+ self.check_chi2(0.048763839080641164)
def test_cam_iso_cone_torsionless_pcs(self):
@@ -426,7 +427,7 @@
# 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(0.13163732545584966)
+ self.check_chi2(1.4636860695480846e-05)
def test_cam_iso_cone_torsionless_rdc(self):
@@ -444,7 +445,7 @@
# 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(1.6035432658413395)
+ self.check_chi2(0.035375873486145099)
def test_cam_pseudo_ellipse_pcs(self):
@@ -453,7 +454,7 @@
# 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(1.737507433470205)
+ self.check_chi2(0.0042333410710150678)
def test_cam_pseudo_ellipse_rdc(self):
@@ -471,7 +472,7 @@
# 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(1.3108157689346795)
+ self.check_chi2(0.019236098257893068)
def test_cam_pseudo_ellipse2_pcs(self):
@@ -480,7 +481,7 @@
# 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(1.2926861559790306)
+ self.check_chi2(0.0011064853022441333)
def test_cam_pseudo_ellipse2_rdc(self):
@@ -498,7 +499,7 @@
# 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(3.2724883075092652)
+ self.check_chi2(0.037619377557162943)
def test_cam_pseudo_ellipse_free_rotor_pcs(self):
@@ -507,7 +508,7 @@
# 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(3.2355129985962812)
+ self.check_chi2(0.00064406864417855384)
def test_cam_pseudo_ellipse_free_rotor_rdc(self):
@@ -525,7 +526,7 @@
# 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(4.0465940297969007)
+ self.check_chi2(0.10567214407060189)
def test_cam_pseudo_ellipse_torsionless_pcs(self):
@@ -534,7 +535,7 @@
# 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(4.0079857721854344)
+ self.check_chi2(0.06706388645913583)
def test_cam_pseudo_ellipse_torsionless_rdc(self):
@@ -579,7 +580,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'rotor.py')
- self.check_chi2(0.076190530269006254)
+ self.check_chi2(0.075072773007664212)
def test_cam_rotor_pcs(self):
@@ -588,7 +589,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'rotor.py')
- self.check_chi2(0.0011188968283402441)
+ self.check_chi2(1.139566998206629e-06)
def test_cam_rotor_rdc(self):
@@ -606,7 +607,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'rotor_2_state.py')
- self.check_chi2(1.0018669981509478)
+ self.check_chi2(0.98332032351549037)
def test_cam_rotor_2_state_pcs(self):
@@ -615,7 +616,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'rotor_2_state.py')
- self.check_chi2(0.01857582733972268)
+ self.check_chi2(2.9152704264897967e-05)
def test_cam_rotor_2_state_rdc(self):
@@ -1193,7 +1194,7 @@
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, 94337.62007871762)
+ self.assertAlmostEqual(cdp.chi2, 94336.297626701955)
def test_rigid_data_to_iso_cone_model(self):
Modified:
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py?rev=23633&r1=23632&r2=23633&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py
(original)
+++
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py
Wed Jun 4 11:24:12 2014
@@ -53,7 +53,7 @@
MODEL = None
# The number of integration points.
- NUM_INT_PTS = 50
+ NUM_INT_PTS = 2000
# The model parameters.
AVE_POS_X, AVE_POS_Y, AVE_POS_Z = [ -20.859750185691549,
-2.450606987447843, -2.191854570352916]
Modified:
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py?rev=23633&r1=23632&r2=23633&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py
(original)
+++
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse.py
Wed Jun 4 11:24:12 2014
@@ -37,7 +37,7 @@
CONE_THETA_X = 30.0 * 2.0 * pi / 360.0
CONE_THETA_Y = 50.0 * 2.0 * pi / 360.0
CONE_SIGMA_MAX = 60.0 * 2.0 * pi / 360.0
- NUM_INT_PTS = 15
+ NUM_INT_PTS = 600
# Execute the analysis.
r23633 - in /branches/frame_order_cleanup/test_suite/system_tests: ./ scripts/frame_order/cam/