Author: bugman
Date: Mon Feb 27 14:55:20 2012
New Revision: 15376
URL: http://svn.gna.org/viewcvs/relax?rev=15376&view=rev
Log:
The 2nd free rotor isotropic cone frame order model tests are updated for the
changed average position.
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats
branches/frame_order_testing/test_suite/system_tests/frame_order.py
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats?rev=15376&r1=15375&r2=15376&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats
(original)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats
Mon Feb 27 14:55:20 2012
@@ -13,7 +13,7 @@
free_rotor2 0.15805818039902811 0.15789122044584425
0.0001669599531838678
iso_cone 0.047796257987533765 0.047304044109578447
0.00049221387795531329
iso_cone_free_rotor 0.19951714134210338 0.1984082397486189
0.0011089015934844701
-iso_cone_free_rotor2 9377.8312996775785 4398.7424233390984
4979.088876338481
+iso_cone_free_rotor2 0.03519623985009767 0.034276292191227402
0.00091994765887026873
iso_cone_torsionless ? ? ?
pseudo_ellipse 0.0961714010098947 0.095461523976414595
0.00070987703348010067
pseudo_ellipse2 0.032442806351129977 0.030991308327923742
0.0014514980232062339
@@ -33,7 +33,7 @@
free_rotor2 0.16009716260086471 0.15789122044584425
0.0022059421550204446
iso_cone 275.91314364220716 0.047304044109578447
275.86583959809758
iso_cone_free_rotor 25.809435923180324 0.1984082397486189
25.611027683431701
-iso_cone_free_rotor2 1987.0396039230304 1968.6938341786392
18.345769744391234
+iso_cone_free_rotor2 14.592815060002437 0.034276292191227402
14.558538767811207
iso_cone_torsionless ? ? ?
pseudo_ellipse 95.104987068996209 0.095461523976414595
95.009525545019784
pseudo_ellipse2 215.42189142523156 0.030991308327923742
215.39090011690368
@@ -53,7 +53,7 @@
free_rotor2 0.15805817306679379 0.15789122044584425
0.00016695262094953978
iso_cone 0.047808065744685081 0.047304044109578447
0.00050402163510663526
iso_cone_free_rotor 0.19949613552285542 0.1984082397486189
0.0010878957742364997
-iso_cone_free_rotor2 15048.231120071436 4398.7424233390984
10649.488696732338
+iso_cone_free_rotor2 0.035303183308578456 0.034276292191227402
0.0010268911173510545
iso_cone_torsionless ? ? ?
pseudo_ellipse 0.096153146637620937 0.095461523976414595
0.00069162266120635369
pseudo_ellipse2 0.032729958558399358 0.030991308327923742
0.0017386502304756221
Modified: branches/frame_order_testing/test_suite/system_tests/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/frame_order.py?rev=15376&r1=15375&r2=15376&view=diff
==============================================================================
--- branches/frame_order_testing/test_suite/system_tests/frame_order.py
(original)
+++ branches/frame_order_testing/test_suite/system_tests/frame_order.py Mon
Feb 27 14:55:20 2012
@@ -318,7 +318,7 @@
# 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(0.0022059421550204446+0.15789122044584425)
+ self.check_chi2(14.558538767811207+0.034276292191227402)
def test_cam_iso_cone_free_rotor2_pcs(self):
@@ -327,7 +327,7 @@
# 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(0.0022059421550204446)
+ self.check_chi2(14.558538767811207)
def test_cam_iso_cone_free_rotor2_rdc(self):
@@ -336,7 +336,7 @@
# 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_rotor2.py')
- self.check_chi2(0.15789122044584425)
+ self.check_chi2(0.034276292191227402)
def test_cam_iso_cone_torsionless(self):
Modified:
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py?rev=15376&r1=15375&r2=15376&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py
(original)
+++
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py
Mon Feb 27 14:55:20 2012
@@ -34,8 +34,8 @@
directory = 'iso_cone_free_rotor2'
model = 'iso cone, free rotor'
ave_pos_alpha = 4.3434999280669997
- ave_pos_beta = 0.43544332764249905
- ave_pos_gamma = 3.8013235235956007
+ ave_pos_beta = 0.77485244603476433
+ ave_pos_gamma = 0.1420704587263735
axis_theta = 0.69828059079619353433
axis_phi = 4.03227550621962294031
cone_s1 = iso_cone_theta_to_S(1.2)
r15376 - in /branches/frame_order_testing/test_suite: shared_data/frame_order/cam/ system_tests/ system_tests/scripts/frame_...