Author: bugman
Date: Tue Nov 13 17:30:58 2012
New Revision: 17956
URL: http://svn.gna.org/viewcvs/relax?rev=17956&view=rev
Log:
Created files containing subsets of the PCS data for the pseudo-ellipse test
model.
Added:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt
(with props)
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt
(with props)
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt
(with props)
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt
(with props)
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
Modified:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py?rev=17956&r1=17955&r2=17956&view=diff
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
(original)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/multi_processor_test.py
Tue Nov 13 17:30:58 2012
@@ -37,7 +37,7 @@
ln = ['dy', 'tb', 'tm', 'er']
for i in range(len(ln)):
# Load the RDCs.
- #rdc.read(align_id=ln[i], file='rdc_%s.txt'%ln[i], spin_id1_col=1,
spin_id2_col=2, data_col=3, error_col=4)
+ rdc.read(align_id=ln[i], file='rdc_%s.txt'%ln[i], spin_id1_col=1,
spin_id2_col=2, data_col=3, error_col=4)
# The PCS.
pcs.read(align_id=ln[i], file='pcs_%s.txt'%ln[i], mol_name_col=1,
res_num_col=2, spin_name_col=5, data_col=6, error_col=7)
@@ -92,9 +92,9 @@
value.set(param='eigen_alpha', val=3.14159265358979311600+0.1)
value.set(param='eigen_beta', val=0.96007997859534310869+0.1)
value.set(param='eigen_gamma', val=4.03227550621962294031+0.1)
-value.set(param='cone_theta_x', val=30.0 * 2.0 * pi / 360.0+0.1)
-value.set(param='cone_theta_y', val=50.0 * 2.0 * pi / 360.0+0.1)
-value.set(param='cone_sigma_max', val=60.0 * 2.0 * pi / 360.0+0.1)
+value.set(param='cone_theta_x', val=30.0 * 2.0 * pi / 360.0+0.5)
+value.set(param='cone_theta_y', val=50.0 * 2.0 * pi / 360.0+0.5)
+value.set(param='cone_sigma_max', val=60.0 * 2.0 * pi / 360.0+0.5)
calc()
print("\nchi2: %s" % repr(cdp.chi2))
Added:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt?rev=17956&view=auto
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt
(added)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt
Tue Nov 13 17:30:58 2012
@@ -1,0 +1,7 @@
+
+# mol_name res_num res_name spin_num spin_name PCSs
PCS_error
+C-dom 99 TYR 35 H
-0.192306534713 0.1
+C-dom 108 VAL 53 H
-0.147705916101 0.1
+C-dom 114 GLU 65 H
-0.139052617723 0.1
+C-dom 119 GLU 75 H
-0.0985464852861 0.1
+C-dom 126 ARG 89 H
-0.159888372973 0.1
Propchange:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_dy_subset.txt
------------------------------------------------------------------------------
svn:eol-style = native
Added:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt?rev=17956&view=auto
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt
(added)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt
Tue Nov 13 17:30:58 2012
@@ -1,0 +1,7 @@
+
+# mol_name res_num res_name spin_num spin_name PCSs
PCS_error
+C-dom 99 TYR 35 H
0.0966158653938 0.1
+C-dom 108 VAL 53 H
0.0595211335427 0.1
+C-dom 114 GLU 65 H
0.0479185499932 0.1
+C-dom 119 GLU 75 H
0.0400744835828 0.1
+C-dom 126 ARG 89 H
0.0689640096979 0.1
Propchange:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_er_subset.txt
------------------------------------------------------------------------------
svn:eol-style = native
Added:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt?rev=17956&view=auto
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt
(added)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt
Tue Nov 13 17:30:58 2012
@@ -1,0 +1,7 @@
+
+# mol_name res_num res_name spin_num spin_name PCSs
PCS_error
+C-dom 99 TYR 35 H
-0.163702684083 0.1
+C-dom 108 VAL 53 H
-0.101833704938 0.1
+C-dom 114 GLU 65 H
-0.088724444596 0.1
+C-dom 119 GLU 75 H
-0.0793064708585 0.1
+C-dom 126 ARG 89 H
-0.139590772524 0.1
Propchange:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tb_subset.txt
------------------------------------------------------------------------------
svn:eol-style = native
Added:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt?rev=17956&view=auto
==============================================================================
---
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt
(added)
+++
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt
Tue Nov 13 17:30:58 2012
@@ -1,0 +1,7 @@
+
+# mol_name res_num res_name spin_num spin_name PCSs
PCS_error
+C-dom 99 TYR 35 H
0.155789641619 0.1
+C-dom 108 VAL 53 H
0.0914859950664 0.1
+C-dom 114 GLU 65 H
0.0725849807934 0.1
+C-dom 119 GLU 75 H
0.0657363319454 0.1
+C-dom 126 ARG 89 H
0.116608084595 0.1
Propchange:
branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/pcs_tm_subset.txt
------------------------------------------------------------------------------
svn:eol-style = native
r17956 - /branches/frame_order_testing/test_suite/shared_data/frame_order/cam/pseudo_ellipse/