Author: bugman
Date: Mon May 26 16:24:42 2014
New Revision: 23424
URL: http://svn.gna.org/viewcvs/relax?rev=23424&view=rev
Log:
Increased the precision of the chi-squared value testing in the CaM frame
order system tests.
The check_chi2 method has been modified so that the chi-squared value is no
longer scaled, and the
precision has been increased from 1 significant figure to 4. All of the
tests have been updated to
match.
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=23424&r1=23423&r2=23424&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
May 26 16:24:42 2014
@@ -134,31 +134,17 @@
del status.flag_pcs
- def check_chi2(self, chi2=0.0, places=1):
+ def check_chi2(self, chi2=0.0, places=4):
"""Check the function evaluation."""
# Switch back to the original pipe.
self.interpreter.pipe.switch('frame order')
# Get the debugging message.
- self.mesg = self.mesg_opt_debug()
-
- # Scale the chi2 values down.
- if chi2 > 1000.0:
- chi2 = chi2 / 1000.0
- chi2_fit = cdp.chi2 / 1000.0
- elif chi2 > 100.0:
- chi2 = chi2 / 100.0
- chi2_fit = cdp.chi2 / 100.0
- elif chi2 > 10.0:
- chi2 = chi2 / 10.0
- chi2_fit = cdp.chi2 / 10.0
- else:
- chi2 = chi2
- chi2_fit = cdp.chi2
+ mesg = self.mesg_opt_debug()
# Check the chi2 value.
- self.assertAlmostEqual(chi2_fit, chi2, places, msg=self.mesg)
+ self.assertAlmostEqual(cdp.chi2, chi2, places, msg=mesg)
def flags(self, rdc=True, pcs=True, opt=False):
@@ -269,7 +255,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'double_rotor.py')
- self.check_chi2(0.0010998457430728529, places=4)
+ self.check_chi2(0.0010998457430728529)
def test_cam_double_rotor_rdc(self):
@@ -296,7 +282,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'free_rotor_missing_data.py')
- self.check_chi2(0.044884875284772641)
+ self.check_chi2(0.037857766746085826)
def test_cam_free_rotor_pcs(self):
@@ -314,7 +300,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'free_rotor.py')
- self.check_chi2(0.055602960850032274)
+ self.check_chi2(0.04899130610303442)
def test_cam_free_rotor2(self):
@@ -359,7 +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(4.4418007653570815)
+ self.check_chi2(4.4504224054021169)
def test_cam_iso_cone_rdc(self):
@@ -368,7 +354,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'iso_cone.py')
- self.check_chi2(0.047304044109578447)
+ self.check_chi2(0.041428474106863025)
def test_cam_iso_cone_free_rotor(self):
@@ -395,7 +381,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor.py')
- self.check_chi2(0.058871004304276831)
+ self.check_chi2(0.010986403066166248)
def test_cam_iso_cone_free_rotor2(self):
@@ -431,7 +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(0.18003434152054845)
+ self.check_chi2(0.18038652767579536)
def test_cam_iso_cone_torsionless_pcs(self):
@@ -440,7 +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(0.13111619461084989)
+ self.check_chi2(0.13163732545584966)
def test_cam_iso_cone_torsionless_rdc(self):
@@ -449,7 +435,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'iso_cone_torsionless.py')
- self.check_chi2(0.04891814690969206)
+ self.check_chi2(0.048749202219945678)
def test_cam_pseudo_ellipse(self):
@@ -467,7 +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(1.7291771910814087)
+ self.check_chi2(1.737507433470205)
def test_cam_pseudo_ellipse_rdc(self):
@@ -485,7 +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(1.3234054898860625)
+ self.check_chi2(1.3108157689346795)
def test_cam_pseudo_ellipse2_pcs(self):
@@ -494,7 +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(1.2924141815581189)
+ self.check_chi2(1.2926861559790306)
def test_cam_pseudo_ellipse2_rdc(self):
@@ -503,7 +489,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse2.py')
- self.check_chi2(0.030991308327923742)
+ self.check_chi2(0.018129612955648935)
def test_cam_pseudo_ellipse_free_rotor(self):
@@ -530,7 +516,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_free_rotor.py')
- self.check_chi2(0.042919565975988075)
+ self.check_chi2(0.036975308912984388)
def test_cam_pseudo_ellipse_torsionless(self):
@@ -539,7 +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(4.0391154988414177)
+ self.check_chi2(4.0465940297969007)
def test_cam_pseudo_ellipse_torsionless_pcs(self):
@@ -548,7 +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(4.0006946519066426)
+ self.check_chi2(4.0079857721854344)
def test_cam_pseudo_ellipse_torsionless_rdc(self):
@@ -557,7 +543,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_torsionless.py')
- self.check_chi2(0.038420846934775092)
+ self.check_chi2(0.038608257611466051)
def test_cam_rigid(self):
@@ -566,7 +552,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'rigid.py')
- self.check_chi2(0.081177248776880595)
+ self.check_chi2(0.081171019382935666)
def test_cam_rigid_pcs(self):
@@ -575,7 +561,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'rigid.py')
- self.check_chi2(1.61966778375118e-06)
+ self.check_chi2(6.1557756577162843e-09)
def test_cam_rigid_rdc(self):
@@ -584,7 +570,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'rigid.py')
- self.check_chi2(0.081175629109096842)
+ self.check_chi2(0.081171013227160013)
def test_cam_rotor(self):
@@ -602,7 +588,7 @@
# 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(0.00073477528703013134)
+ self.check_chi2(0.0011188968283402441)
def test_cam_rotor_rdc(self):
@@ -611,7 +597,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'rotor.py')
- self.check_chi2(0.080805860707837754)
+ self.check_chi2(0.075071633440666002)
def test_cam_rotor_2_state(self):
@@ -620,7 +606,7 @@
# 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(1.0043926000277981)
+ self.check_chi2(1.0018669981509478)
def test_cam_rotor_2_state_pcs(self):
@@ -629,7 +615,7 @@
# 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(0.019243235025296658)
+ self.check_chi2(0.01857582733972268)
def test_cam_rotor_2_state_rdc(self):
@@ -638,7 +624,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(pcs=False)
self.interpreter.run(script_file=self.cam_path+'rotor_2_state.py')
- self.check_chi2(0.98514936500256733)
+ self.check_chi2(0.98329117081122541)
def test_cam_rotor2(self):
@@ -656,7 +642,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'rotor2.py')
- self.check_chi2(0.0010998457430728529)
+ self.check_chi2(0.0017542810437989119)
def test_cam_rotor2_rdc(self):
r23424 - /branches/frame_order_cleanup/test_suite/system_tests/frame_order.py