Author: bugman
Date: Tue Jun 3 18:29:44 2014
New Revision: 23626
URL: http://svn.gna.org/viewcvs/relax?rev=23626&view=rev
Log:
Increased the number of integration points from 50 or 100 to 5000.
This is for all CaM frame_order.py test data optimisation scripts. The
higher number of points are
essential for optimising the frame order models and hence for checking the
relax implementation.
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -78,7 +78,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -80,7 +80,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -80,7 +80,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -79,7 +79,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -82,7 +82,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=50)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -82,7 +82,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=50)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -78,7 +78,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=50)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -81,7 +81,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -81,7 +81,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=50)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -81,7 +81,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=50)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -80,7 +80,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=50)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -75,7 +75,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -122,7 +122,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -122,7 +122,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=1000)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -77,7 +77,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=50)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
Modified:
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py?rev=23626&r1=23625&r2=23626&view=diff
==============================================================================
---
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py
(original)
+++
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_small_angle/frame_order.py
Tue Jun 3 18:29:44 2014
@@ -78,7 +78,7 @@
paramag.centre(pos=[35.934, 12.194, -4.206])
# The optimisation settings.
-frame_order.num_int_pts(num=100)
+frame_order.num_int_pts(num=5000)
# Check the minimum.
value.set(param='ave_pos_x', val=AVE_POS_X)
r23626 - in /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam: free_rotor/ free_rotor2/ free_rotor_missin...