Author: bugman
Date: Wed Sep 17 17:12:05 2014
New Revision: 25891
URL: http://svn.gna.org/viewcvs/relax?rev=25891&view=rev
Log:
Updates for all of the Frame_order.test_cam_* system tests.
The NUM_INT_PTS variable in the system tests scripts is now passed into the
frame_order.sobol_setup
user function as the max_num argument. This number has also been changed so
that the tests take a
reasonable amount of time. All chi2 value checks were updated. These were
validated by increasing
the number of integration points and watching the chi2 value of the
Frame_order.test_cam_*_pcs
version of the system tests head to zero.
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
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse2.py
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.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=25891&r1=25890&r2=25891&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 Sep
17 17:12:05 2014
@@ -507,7 +507,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'double_rotor.py')
- self.check_chi2(0.082433008378229589)
+ self.check_chi2(0.080146041009531946)
def test_cam_double_rotor_pcs(self):
@@ -516,7 +516,7 @@
# 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(0.0026189545487338103)
+ self.check_chi2(0.00033425735965255754)
def test_cam_double_rotor_rdc(self):
@@ -534,7 +534,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'double_rotor_large_angle.py')
- self.check_chi2(0.04420414251367831)
+ self.check_chi2(0.046993590502437441)
def test_cam_double_rotor_large_angle_pcs(self):
@@ -543,7 +543,7 @@
# 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_large_angle.py')
- self.check_chi2(0.00025808742855180884)
+ self.check_chi2(0.0030482390409642141)
def test_cam_double_rotor_large_angle_rdc(self):
@@ -561,7 +561,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(opt=True)
self.interpreter.run(script_file=self.cam_path+'free_rotor.py')
- self.check_chi2(0.048992338400504688)
+ self.check_chi2(0.049488502147038226)
def test_cam_free_rotor_missing_data(self):
@@ -570,7 +570,7 @@
# 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(0.037724884620487453)
+ self.check_chi2(0.038106832800436169)
def test_cam_free_rotor_pcs(self):
@@ -579,7 +579,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'free_rotor.py')
- self.check_chi2(1.0828246263831909e-07)
+ self.check_chi2(0.00049268587082683434)
def test_cam_free_rotor_rdc(self):
@@ -597,7 +597,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags()
self.interpreter.run(script_file=self.cam_path+'free_rotor2.py')
- self.check_chi2(0.067540995069675966)
+ self.check_chi2(0.069952611688108693)
def test_cam_free_rotor2_pcs(self):
@@ -606,7 +606,7 @@
# The flags, execute the script, and then check the chi2 value.
self.flags(rdc=False)
self.interpreter.run(script_file=self.cam_path+'free_rotor2.py')
- self.check_chi2(0.01079639889927377)
+ self.check_chi2(0.013207545726879745)
def test_cam_free_rotor2_rdc(self):
@@ -624,7 +624,7 @@
# 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(0.047612694541267306)
+ self.check_chi2(0.046263256206108584)
def test_cam_iso_cone_pcs(self):
@@ -633,7 +633,7 @@
# 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(0.0061842204344042893)
+ self.check_chi2(0.010223404689484922)
def test_cam_iso_cone_rdc(self):
@@ -651,7 +651,7 @@
# 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(0.011527134355548144)
+ self.check_chi2(0.013068834561396353)
def test_cam_iso_cone_free_rotor_pcs(self):
@@ -660,7 +660,7 @@
# 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(0.00054073128938189553)
+ self.check_chi2(0.0020824314952301057)
def test_cam_iso_cone_free_rotor_rdc(self):
@@ -678,7 +678,7 @@
# 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(0.02996954151455445)
+ self.check_chi2(0.13135988423081582)
def test_cam_iso_cone_free_rotor2_pcs(self):
@@ -687,7 +687,7 @@
# 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(0.024410594632485034)
+ self.check_chi2(0.12580093734874642)
def test_cam_iso_cone_free_rotor2_rdc(self):
@@ -705,7 +705,7 @@
# 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(0.048930632669473069)
+ self.check_chi2(0.058320273132310863)
def test_cam_iso_cone_torsionless_pcs(self):
@@ -714,7 +714,7 @@
# 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(0.0001814304495273832)
+ self.check_chi2(0.0095766977930929302)
def test_cam_iso_cone_torsionless_rdc(self):
@@ -732,7 +732,7 @@
# 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(0.094228483127403714)
+ self.check_chi2(0.052923535071890106)
def test_cam_pseudo_ellipse_pcs(self):
@@ -741,7 +741,7 @@
# 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(0.06846727616648722)
+ self.check_chi2(0.025487205467282097)
def test_cam_pseudo_ellipse_rdc(self):
@@ -759,7 +759,7 @@
# 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(0.023514665851808478)
+ self.check_chi2(0.041445854907868764)
def test_cam_pseudo_ellipse2_pcs(self):
@@ -768,7 +768,7 @@
# 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(0.0053850528961595428)
+ self.check_chi2(0.02331739779637744)
def test_cam_pseudo_ellipse2_rdc(self):
@@ -786,7 +786,7 @@
# 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(0.0543303786779369)
+ self.check_chi2(0.07886558371162268)
def test_cam_pseudo_ellipse_free_rotor_pcs(self):
@@ -795,7 +795,7 @@
# 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(0.0041254537455716134)
+ self.check_chi2(0.038891355121051734)
def test_cam_pseudo_ellipse_free_rotor_rdc(self):
@@ -813,7 +813,7 @@
# 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(0.01497741674116292)
+ self.check_chi2(0.018922576784401186)
def test_cam_pseudo_ellipse_torsionless_pcs(self):
@@ -822,7 +822,7 @@
# 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(2.9799363738575403e-05)
+ self.check_chi2(0.003977725835776093)
def test_cam_pseudo_ellipse_torsionless_rdc(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=25891&r1=25890&r2=25891&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 Sep 17 17:12:05 2014
@@ -52,7 +52,7 @@
MODEL = None
# The number of integration points.
- NUM_INT_PTS = 2000
+ NUM_INT_PTS = 100
# The model parameters.
PIVOT_DISP = None
@@ -152,9 +152,9 @@
def optimisation(self):
"""Optimise the frame order model."""
- # Set the number of numerical integration points.
+ # Set up the Sobol' sequence.
if self.NUM_INT_PTS != None:
- self._execute_uf(uf_name='frame_order.num_int_pts',
num=self.NUM_INT_PTS)
+ self._execute_uf(uf_name='frame_order.sobol_setup',
max_num=self.NUM_INT_PTS, oversample=1)
# Set the parameter values.
params = [
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=25891&r1=25890&r2=25891&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 Sep 17 17:12:05 2014
@@ -38,7 +38,7 @@
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 = 600
+ NUM_INT_PTS = 20
# Execute the analysis.
Modified:
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse2.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse2.py?rev=25891&r1=25890&r2=25891&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse2.py
(original)
+++
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse2.py
Wed Sep 17 17:12:05 2014
@@ -38,6 +38,7 @@
CONE_THETA_X = 0.8
CONE_THETA_Y = 1.2
CONE_SIGMA_MAX = 0.9
+ NUM_INT_PTS = 20
# Execute the analysis.
Modified:
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py?rev=25891&r1=25890&r2=25891&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py
(original)
+++
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/pseudo_ellipse_free_rotor.py
Wed Sep 17 17:12:05 2014
@@ -40,6 +40,7 @@
EIGEN_GAMMA = 4.0322755062196229
CONE_THETA_X = 0.3
CONE_THETA_Y = 0.5
+ NUM_INT_PTS = 20
# Execute the analysis.
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