r15065 - /branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/pcs_only/ave_pos_back_calc.py -- December 08, 2011 - 14:04

Author: bugman
Date: Thu Dec  8 14:04:23 2011
New Revision: 15065

URL: http://svn.gna.org/viewcvs/relax?rev=15065&view=rev
Log:
Modifications to the back-calculation script for the average position.


Modified:
    
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/pcs_only/ave_pos_back_calc.py

Modified: 
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/pcs_only/ave_pos_back_calc.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/pcs_only/ave_pos_back_calc.py?rev=15065&r1=15064&r2=15065&view=diff
==============================================================================
--- 
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/pcs_only/ave_pos_back_calc.py
 (original)
+++ 
branches/frame_order_testing/test_suite/shared_data/frame_order/rotor2/pcs_only/ave_pos_back_calc.py
 Thu Dec  8 14:04:23 2011
@@ -76,8 +76,9 @@
     # The spin data.
     for spin, mol_name, res_num, res_name in spin_loop(full_info=True):
         # The data.
-        if hasattr(spin, 'rdc'):
-            file.write("%s %s\n" % (res_num, spin.rdc[ids[i]])
+        if hasattr(spin, 'pcs'):
+            file.write("%s %s\n" % (res_num, spin.pcs[ids[i]]))
+
     # End.
     file.write("&\n")
 
@@ -89,11 +90,25 @@
     # The spin data.
     for spin, mol_name, res_num, res_name in spin_loop(full_info=True):
         # The data.
-        if hasattr(spin, 'rdc_bc'):
-            file.write("%s %s\n" % (res_num, spin.rdc_bc[ids[i]])
+        if hasattr(spin, 'pcs_bc'):
+            file.write("%s %s\n" % (res_num, spin.pcs_bc[ids[i]]))
+
     # End.
     file.write("&\n")
 
+# Correlation plot.
+for i in range(len(ids)):
+    # Header.
+    file.write("@target G2.S%i\n@type xy\n" % i)
+
+    # The spin data.
+    for spin, mol_name, res_num, res_name in spin_loop(full_info=True):
+        # The data.
+        if hasattr(spin, 'pcs_bc'):
+            file.write("%s %s\n" % (spin.pcs_bc[ids[i]], 
spin.pcs_bc[ids[i]]))
+
+    # End.
+    file.write("&\n")
 
 # Store the state.
 state.save('ave_pos_back_calc', force=True)