mailr12689 - /branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py


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Posted by edward on March 02, 2011 - 10:18:
Author: bugman
Date: Wed Mar  2 10:18:43 2011
New Revision: 12689

URL: http://svn.gna.org/viewcvs/relax?rev=12689&view=rev
Log:
Updated the Rx back calculation system test script for the new relax data ID 
string design.


Modified:
    
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py

Modified: 
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py?rev=12689&r1=12688&r2=12689&view=diff
==============================================================================
--- 
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
 (original)
+++ 
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
 Wed Mar  2 10:18:43 2011
@@ -50,22 +50,19 @@
 model_free.select_model(model='m0')
 
 # Back-calculate.
-frq = array([500], float64)
-#frq = array([500, 600, 700, 800], float64)
+frq = [500, 600, 700, 800]
 for i in range(len(frq)):
-    relax_data.back_calc(ri_label='R1', frq_label=str(int(frq[i])), 
frq=frq[i] * 1e6)
-    relax_data.back_calc(ri_label='R2', frq_label=str(int(frq[i])), 
frq=frq[i] * 1e6)
-    relax_data.back_calc(ri_label='NOE', frq_label=str(int(frq[i])), 
frq=frq[i] * 1e6)
+    relax_data.back_calc(ri_id='R1_%i'%frq[i],  ri_type='R1',  frq=frq[i] * 
1e6)
+    relax_data.back_calc(ri_id='R2_%i'%frq[i],  ri_type='R2',  frq=frq[i] * 
1e6)
+    relax_data.back_calc(ri_id='NOE_%i'%frq[i], ri_type='NOE', frq=frq[i] * 
1e6)
 
-relax_data.display(ri_label='R1', frq_label='500')
+relax_data.display(ri_id='R1_500')
 
 # Load the original relaxation data into another data pipe.
 pipe.create('orig_data', 'mf')
 sequence.read('NOE.500.out', dir=path, res_num_col=1)
 for i in range(len(frq)):
-    relax_data.read('R1', str(int(frq[i])), frq[i] * 1e6, 
'R1.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, 
error_col=3)
-    relax_data.read('R2', str(int(frq[i])), frq[i] * 1e6, 
'R2.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, 
error_col=3)
-    relax_data.read('NOE', str(int(frq[i])), frq[i] * 1e6, 
'NOE.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, 
error_col=3)
-relax_data.display(ri_label='R1', frq_label='500')
-
-
+    relax_data.read(ri_id='R1_%i'%frq[i],  ri_type='R1',  frq=frq[i] * 1e6, 
file='R1.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, 
error_col=3)
+    relax_data.read(ri_id='R2_%i'%frq[i],  ri_type='R2',  frq=frq[i] * 1e6, 
file='R2.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, 
error_col=3)
+    relax_data.read(ri_id='NOE_%i'%frq[i], ri_type='NOE', frq=frq[i] * 1e6, 
file='NOE.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2, 
error_col=3)
+relax_data.display(ri_id='R1_500')




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