Author: bugman
Date: Mon Feb 27 13:32:30 2012
New Revision: 15373
URL: http://svn.gna.org/viewcvs/relax?rev=15373&view=rev
Log:
Updated the 2nd free rotor frame order model using the minimised average
position parameters.
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/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=15373&r1=15372&r2=15373&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 13:32:30 2012
@@ -10,7 +10,7 @@
rotor2 0.08109927684015121 0.080669539157379247
0.00042973768277196469
rotor_2_state 0.98651249280028852 0.98514936500256733
0.0013631277977212196
free_rotor 0.49751590700410214 0.49726258158951819
0.00025332541458398443
-free_rotor2 72961.044767090716 72274.982162225424
686.06260486529129
+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
@@ -30,7 +30,7 @@
rotor2 0.14648753596217906 0.080669539157379247
0.065817996804799814
rotor_2_state 2.4870975742280161 0.98514936500256733
1.501948209225449
free_rotor 0.50107028749670401 0.49726258158951819
0.0038077059071857616
-free_rotor2 54864.280804322938 53940.907790776953
923.37301354598378
+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
@@ -50,7 +50,7 @@
rotor2 0.081098953498889667 0.080669539157379247
0.00042941434151042446
rotor_2_state 0.98651554736334846 0.98514936500256733
0.001366182360781083
free_rotor 0.49751589915599342 0.49726258158951819
0.00025331756647524353
-free_rotor2 54851.540535059685 53940.907790776953
910.63274428273485
+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
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=15373&r1=15372&r2=15373&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 13:32:30 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(18.345769744391234+1968.6938341786392)
+ self.check_chi2(0.0022059421550204446+0.15789122044584425)
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(18.345769744391234)
+ self.check_chi2(0.0022059421550204446)
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(1968.6938341786392)
+ self.check_chi2(0.15789122044584425)
def test_cam_iso_cone_torsionless(self):
Modified:
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py?rev=15373&r1=15372&r2=15373&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py
(original)
+++
branches/frame_order_testing/test_suite/system_tests/scripts/frame_order/cam/free_rotor2.py
Mon Feb 27 13:32:30 2012
@@ -25,6 +25,7 @@
# relax module imports.
from base_script import Base_script
+from status import Status; status = Status()
class Analysis(Base_script):
@@ -32,12 +33,12 @@
# Set up some class variables.
directory = 'free_rotor2'
model = 'free rotor'
- ave_pos_beta = 2.5534876110153948
- ave_pos_gamma = 0.47194843111649976
- axis_theta = 1.6573281536701425
- axis_phi = 0.89246262623423234
+ ave_pos_beta = 0.77485244603476433
+ ave_pos_gamma = 0.1420704587263735
+ axis_theta = 0.69828059079619353433
+ axis_phi = 4.03227550621962294031
cone = True
- num_int_pts = 50
+ num_int_pts = 1000000
# Execute the analysis.
r15373 - in /branches/frame_order_testing/test_suite: shared_data/frame_order/cam/ system_tests/ system_tests/scripts/frame_...