Author: bugman
Date: Thu Jan 12 14:07:20 2012
New Revision: 15156
URL: http://svn.gna.org/viewcvs/relax?rev=15156&view=rev
Log:
Updated the frame order scripts for the test data to use the precise
parameter values.
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/frame_order.py
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/frame_order.py
branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/frame_order.py
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/frame_order.py
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/frame_order.py
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/frame_order.py?rev=15156&r1=15155&r2=15156&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/frame_order.py
(original)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/free_rotor/frame_order.py
Thu Jan 12 14:07:20 2012
@@ -100,8 +100,8 @@
# Check the minimum.
cdp.ave_pos_beta = 1.1838868514111507
cdp.ave_pos_gamma = 0.35219976958846927
- cdp.axis_theta = -0.96023810707150448
- cdp.axis_phi = 0.89625669043576928
+ cdp.axis_theta = 2.1815126749944502
+ cdp.axis_phi = 0.89068285262982982
calc()
print cdp.chi2
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/frame_order.py?rev=15156&r1=15155&r2=15156&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/frame_order.py
(original)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/iso_cone_free_rotor2/frame_order.py
Thu Jan 12 14:07:20 2012
@@ -6,6 +6,7 @@
# relax module imports.
from maths_fns.rotation_matrix import euler_to_R_zyz
+from maths_fns.order_parameters import iso_cone_theta_to_S
class Analysis:
@@ -100,9 +101,9 @@
# Check the minimum.
cdp.ave_pos_beta = 1.1321377968123119
cdp.ave_pos_gamma = 0.029867114268410672
- cdp.axis_theta = -0.70177072973807042
- cdp.axis_phi = 0.89129130027034131
- cdp.cone_s1 = 0.9121076263414718
+ cdp.axis_theta = 0.69828059268540488
+ cdp.axis_phi = -2.2509097944247132
+ cdp.cone_s1 = iso_cone_theta_to_S(20.0 * 2.0 * pi / 360.0)
calc()
print cdp.chi2
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/frame_order.py?rev=15156&r1=15155&r2=15156&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/frame_order.py
(original)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/rigid/frame_order.py
Thu Jan 12 14:07:20 2012
@@ -98,9 +98,9 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# Check the minimum.
- cdp.ave_pos_alpha = 1.2017352840543052
- cdp.ave_pos_beta = 5.8477792871424867
- cdp.ave_pos_gamma = 0.65969938507054027
+ cdp.ave_pos_alpha = 4.3434999280669997
+ cdp.ave_pos_beta = 0.43544332764249905
+ cdp.ave_pos_gamma = 3.8013235235956007
calc()
print cdp.chi2
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/frame_order.py?rev=15156&r1=15155&r2=15156&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/frame_order.py
(original)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor/frame_order.py
Thu Jan 12 14:07:20 2012
@@ -98,12 +98,12 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# Check the minimum.
- cdp.ave_pos_alpha = 1.2017352840543052
- cdp.ave_pos_beta = 5.8477792871424867
- cdp.ave_pos_gamma = 0.65969938507054027
- cdp.axis_theta = -0.95870335860104139
- cdp.axis_phi = 0.89264454937169635
- cdp.cone_sigma_max = 0.52757207875029488
+ cdp.ave_pos_alpha = 4.3434999280669997
+ cdp.ave_pos_beta = 0.43544332764249905
+ cdp.ave_pos_gamma = 3.8013235235956007
+ cdp.axis_theta = 2.1815126749944502
+ cdp.axis_phi = 0.89068285262982982
+ cdp.cone_sigma_max = 30.0 / 360.0 * 2.0 * pi
calc()
print cdp.chi2
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/frame_order.py?rev=15156&r1=15155&r2=15156&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/frame_order.py
(original)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/frame_order.py
Thu Jan 12 14:07:20 2012
@@ -98,12 +98,12 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# Check the minimum.
- cdp.ave_pos_alpha = 1.2017352840543052
- cdp.ave_pos_beta = 5.8477792871424867
- cdp.ave_pos_gamma = 0.65969938507054027
- cdp.axis_theta = 0.69832655838992175
- cdp.axis_phi = 0.89069389677025046
- cdp.cone_sigma_max = 0.52757207875029488
+ cdp.ave_pos_alpha = 4.3434999280669997
+ cdp.ave_pos_beta = 0.43544332764249905
+ cdp.ave_pos_gamma = 3.8013235235956007
+ cdp.axis_theta = 0.69798281380709504
+ cdp.axis_phi = 0.89068285012874959
+ cdp.cone_sigma_max = 30.0 / 360.0 * 2.0 * pi
calc()
print cdp.chi2
r15156 - in /branches/frame_order_testing/test_suite/shared_data/frame_order: free_rotor/ iso_cone_free_rotor2/ rigid/ rotor...