Author: bugman
Date: Mon Jul 25 14:34:12 2011
New Revision: 13857
URL: http://svn.gna.org/viewcvs/relax?rev=13857&view=rev
Log:
The back calculated data is now written out to file in the synthetic
relaxation data script.
Modified:
1.3/test_suite/shared_data/model_free/sphere/create_ri.py
1.3/test_suite/shared_data/model_free/sphere/noe.500.out
1.3/test_suite/shared_data/model_free/sphere/noe.900.out
1.3/test_suite/shared_data/model_free/sphere/r1.500.out
1.3/test_suite/shared_data/model_free/sphere/r1.900.out
1.3/test_suite/shared_data/model_free/sphere/r2.500.out
1.3/test_suite/shared_data/model_free/sphere/r2.900.out
Modified: 1.3/test_suite/shared_data/model_free/sphere/create_ri.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/sphere/create_ri.py?rev=13857&r1=13856&r2=13857&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/sphere/create_ri.py (original)
+++ 1.3/test_suite/shared_data/model_free/sphere/create_ri.py Mon Jul 25
14:34:12 2011
@@ -86,9 +86,9 @@
spin.ri_data_err[ri_id] = spin.ri_data_bc[ri_id] * 0.02
# Write the relaxation data to file.
-relax_data.write(ri_id='NOE_900', file='noe.900.out', force=True)
-relax_data.write(ri_id='R1_900', file='r1.900.out', force=True)
-relax_data.write(ri_id='R2_900', file='r2.900.out', force=True)
-relax_data.write(ri_id='NOE_500', file='noe.500.out', force=True)
-relax_data.write(ri_id='R1_500', file='r1.500.out', force=True)
-relax_data.write(ri_id='R2_500', file='r2.500.out', force=True)
+relax_data.write(ri_id='NOE_900', file='noe.900.out', bc=True, force=True)
+relax_data.write(ri_id='R1_900', file='r1.900.out', bc=True, force=True)
+relax_data.write(ri_id='R2_900', file='r2.900.out', bc=True, force=True)
+relax_data.write(ri_id='NOE_500', file='noe.500.out', bc=True, force=True)
+relax_data.write(ri_id='R1_500', file='r1.500.out', bc=True, force=True)
+relax_data.write(ri_id='R2_500', file='r2.500.out', bc=True, force=True)
Modified: 1.3/test_suite/shared_data/model_free/sphere/noe.500.out
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/sphere/noe.500.out?rev=13857&r1=13856&r2=13857&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/sphere/noe.500.out (original)
+++ 1.3/test_suite/shared_data/model_free/sphere/noe.500.out Mon Jul 25
14:34:12 2011
@@ -1,11 +1,11 @@
# mol_name res_num res_name spin_num spin_name value
error
-sphere_mol1 1 GLY 1 N
None 0.05
-sphere_mol1 2 GLY 3 N
None 0.05
-sphere_mol1 3 GLY 5 N
None 0.05
-sphere_mol1 4 GLY 7 N
None 0.05
-sphere_mol1 5 GLY 9 N
None 0.05
-sphere_mol1 6 GLY 11 N
None 0.05
-sphere_mol1 7 GLY 13 N
None 0.05
-sphere_mol1 8 GLY 15 N
None 0.05
-sphere_mol1 9 GLY 17 N
None 0.05
+sphere_mol1 1 GLY 1 N
0.742922132765 0.05
+sphere_mol1 2 GLY 3 N
0.742922132765 0.05
+sphere_mol1 3 GLY 5 N
0.742922132765 0.05
+sphere_mol1 4 GLY 7 N
0.742922132765 0.05
+sphere_mol1 5 GLY 9 N
0.742922132765 0.05
+sphere_mol1 6 GLY 11 N
0.742922132765 0.05
+sphere_mol1 7 GLY 13 N
0.742922132765 0.05
+sphere_mol1 8 GLY 15 N
0.742922132765 0.05
+sphere_mol1 9 GLY 17 N
0.742922132765 0.05
Modified: 1.3/test_suite/shared_data/model_free/sphere/noe.900.out
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/sphere/noe.900.out?rev=13857&r1=13856&r2=13857&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/sphere/noe.900.out (original)
+++ 1.3/test_suite/shared_data/model_free/sphere/noe.900.out Mon Jul 25
14:34:12 2011
@@ -1,11 +1,11 @@
# mol_name res_num res_name spin_num spin_name value
error
-sphere_mol1 1 GLY 1 N
None 0.04
-sphere_mol1 2 GLY 3 N
None 0.04
-sphere_mol1 3 GLY 5 N
None 0.04
-sphere_mol1 4 GLY 7 N
None 0.04
-sphere_mol1 5 GLY 9 N
None 0.04
-sphere_mol1 6 GLY 11 N
None 0.04
-sphere_mol1 7 GLY 13 N
None 0.04
-sphere_mol1 8 GLY 15 N
None 0.04
-sphere_mol1 9 GLY 17 N
None 0.04
+sphere_mol1 1 GLY 1 N
0.73823698642 0.04
+sphere_mol1 2 GLY 3 N
0.73823698642 0.04
+sphere_mol1 3 GLY 5 N
0.73823698642 0.04
+sphere_mol1 4 GLY 7 N
0.73823698642 0.04
+sphere_mol1 5 GLY 9 N
0.73823698642 0.04
+sphere_mol1 6 GLY 11 N
0.73823698642 0.04
+sphere_mol1 7 GLY 13 N
0.73823698642 0.04
+sphere_mol1 8 GLY 15 N
0.73823698642 0.04
+sphere_mol1 9 GLY 17 N
0.73823698642 0.04
Modified: 1.3/test_suite/shared_data/model_free/sphere/r1.500.out
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/sphere/r1.500.out?rev=13857&r1=13856&r2=13857&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/sphere/r1.500.out (original)
+++ 1.3/test_suite/shared_data/model_free/sphere/r1.500.out Mon Jul 25
14:34:12 2011
@@ -1,11 +1,11 @@
# mol_name res_num res_name spin_num spin_name value
error
-sphere_mol1 1 GLY 1 N
None 0.0292793833164
-sphere_mol1 2 GLY 3 N
None 0.0292793833164
-sphere_mol1 3 GLY 5 N
None 0.0292793833164
-sphere_mol1 4 GLY 7 N
None 0.0292793833164
-sphere_mol1 5 GLY 9 N
None 0.0292793833164
-sphere_mol1 6 GLY 11 N
None 0.0292793833164
-sphere_mol1 7 GLY 13 N
None 0.0292793833164
-sphere_mol1 8 GLY 15 N
None 0.0292793833164
-sphere_mol1 9 GLY 17 N
None 0.0292793833164
+sphere_mol1 1 GLY 1 N
1.46396916582 0.0292793833164
+sphere_mol1 2 GLY 3 N
1.46396916582 0.0292793833164
+sphere_mol1 3 GLY 5 N
1.46396916582 0.0292793833164
+sphere_mol1 4 GLY 7 N
1.46396916582 0.0292793833164
+sphere_mol1 5 GLY 9 N
1.46396916582 0.0292793833164
+sphere_mol1 6 GLY 11 N
1.46396916582 0.0292793833164
+sphere_mol1 7 GLY 13 N
1.46396916582 0.0292793833164
+sphere_mol1 8 GLY 15 N
1.46396916582 0.0292793833164
+sphere_mol1 9 GLY 17 N
1.46396916582 0.0292793833164
Modified: 1.3/test_suite/shared_data/model_free/sphere/r1.900.out
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/sphere/r1.900.out?rev=13857&r1=13856&r2=13857&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/sphere/r1.900.out (original)
+++ 1.3/test_suite/shared_data/model_free/sphere/r1.900.out Mon Jul 25
14:34:12 2011
@@ -1,11 +1,11 @@
# mol_name res_num res_name spin_num spin_name value
error
-sphere_mol1 1 GLY 1 N
None 0.0142236404022
-sphere_mol1 2 GLY 3 N
None 0.0142236404022
-sphere_mol1 3 GLY 5 N
None 0.0142236404022
-sphere_mol1 4 GLY 7 N
None 0.0142236404022
-sphere_mol1 5 GLY 9 N
None 0.0142236404022
-sphere_mol1 6 GLY 11 N
None 0.0142236404022
-sphere_mol1 7 GLY 13 N
None 0.0142236404022
-sphere_mol1 8 GLY 15 N
None 0.0142236404022
-sphere_mol1 9 GLY 17 N
None 0.0142236404022
+sphere_mol1 1 GLY 1 N
0.711182020108 0.0142236404022
+sphere_mol1 2 GLY 3 N
0.711182020108 0.0142236404022
+sphere_mol1 3 GLY 5 N
0.711182020108 0.0142236404022
+sphere_mol1 4 GLY 7 N
0.711182020108 0.0142236404022
+sphere_mol1 5 GLY 9 N
0.711182020108 0.0142236404022
+sphere_mol1 6 GLY 11 N
0.711182020108 0.0142236404022
+sphere_mol1 7 GLY 13 N
0.711182020108 0.0142236404022
+sphere_mol1 8 GLY 15 N
0.711182020108 0.0142236404022
+sphere_mol1 9 GLY 17 N
0.711182020108 0.0142236404022
Modified: 1.3/test_suite/shared_data/model_free/sphere/r2.500.out
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/sphere/r2.500.out?rev=13857&r1=13856&r2=13857&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/sphere/r2.500.out (original)
+++ 1.3/test_suite/shared_data/model_free/sphere/r2.500.out Mon Jul 25
14:34:12 2011
@@ -1,11 +1,11 @@
# mol_name res_num res_name spin_num spin_name value
error
-sphere_mol1 1 GLY 1 N
None 0.224230602169
-sphere_mol1 2 GLY 3 N
None 0.224230602169
-sphere_mol1 3 GLY 5 N
None 0.224230602169
-sphere_mol1 4 GLY 7 N
None 0.224230602169
-sphere_mol1 5 GLY 9 N
None 0.224230602169
-sphere_mol1 6 GLY 11 N
None 0.224230602169
-sphere_mol1 7 GLY 13 N
None 0.224230602169
-sphere_mol1 8 GLY 15 N
None 0.224230602169
-sphere_mol1 9 GLY 17 N
None 0.224230602169
+sphere_mol1 1 GLY 1 N
11.2115301084 0.224230602169
+sphere_mol1 2 GLY 3 N
11.2115301084 0.224230602169
+sphere_mol1 3 GLY 5 N
11.2115301084 0.224230602169
+sphere_mol1 4 GLY 7 N
11.2115301084 0.224230602169
+sphere_mol1 5 GLY 9 N
11.2115301084 0.224230602169
+sphere_mol1 6 GLY 11 N
11.2115301084 0.224230602169
+sphere_mol1 7 GLY 13 N
11.2115301084 0.224230602169
+sphere_mol1 8 GLY 15 N
11.2115301084 0.224230602169
+sphere_mol1 9 GLY 17 N
11.2115301084 0.224230602169
Modified: 1.3/test_suite/shared_data/model_free/sphere/r2.900.out
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/sphere/r2.900.out?rev=13857&r1=13856&r2=13857&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/sphere/r2.900.out (original)
+++ 1.3/test_suite/shared_data/model_free/sphere/r2.900.out Mon Jul 25
14:34:12 2011
@@ -1,11 +1,11 @@
# mol_name res_num res_name spin_num spin_name value
error
-sphere_mol1 1 GLY 1 N
None 0.312211305937
-sphere_mol1 2 GLY 3 N
None 0.312211305937
-sphere_mol1 3 GLY 5 N
None 0.312211305937
-sphere_mol1 4 GLY 7 N
None 0.312211305937
-sphere_mol1 5 GLY 9 N
None 0.312211305937
-sphere_mol1 6 GLY 11 N
None 0.312211305937
-sphere_mol1 7 GLY 13 N
None 0.312211305937
-sphere_mol1 8 GLY 15 N
None 0.312211305937
-sphere_mol1 9 GLY 17 N
None 0.312211305937
+sphere_mol1 1 GLY 1 N
15.6105652969 0.312211305937
+sphere_mol1 2 GLY 3 N
15.6105652969 0.312211305937
+sphere_mol1 3 GLY 5 N
15.6105652969 0.312211305937
+sphere_mol1 4 GLY 7 N
15.6105652969 0.312211305937
+sphere_mol1 5 GLY 9 N
15.6105652969 0.312211305937
+sphere_mol1 6 GLY 11 N
15.6105652969 0.312211305937
+sphere_mol1 7 GLY 13 N
15.6105652969 0.312211305937
+sphere_mol1 8 GLY 15 N
15.6105652969 0.312211305937
+sphere_mol1 9 GLY 17 N
15.6105652969 0.312211305937
r13857 - /1.3/test_suite/shared_data/model_free/sphere/