r27732 - /trunk/test_suite/system_tests/rdc.py -- March 02, 2015 - 18:09

Author: bugman
Date: Mon Mar  2 18:09:12 2015
New Revision: 27732

URL: http://svn.gna.org/viewcvs/relax?rev=27732&view=rev
Log:
Expansion of the Rdc.test_rdc_copy_different_spins system test.

The interatomic data containers are now defined via the interatom.define user 
function, which
requires the spin.element user function to set up the element information.  A 
printout has also been
added to demonstrate a failure in the 
pipe_control.interatomic.interatomic_loop() function in
handling the correct data pipe.


Modified:
    trunk/test_suite/system_tests/rdc.py

Modified: trunk/test_suite/system_tests/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/rdc.py?rev=27732&r1=27731&r2=27732&view=diff
==============================================================================
--- trunk/test_suite/system_tests/rdc.py        (original)
+++ trunk/test_suite/system_tests/rdc.py        Mon Mar  2 18:09:12 2015
@@ -91,6 +91,7 @@
 
             # Load the spins.
             self.interpreter.sequence.read(file='tb.txt', dir=dir, 
spin_id_col=1)
+            self.interpreter.spin.element('N')
 
             # Delete the residue.
             self.interpreter.residue.delete(delete[i])
@@ -98,6 +99,17 @@
             # Attach protons.
             self.interpreter.sequence.attach_protons()
             self.interpreter.sequence.display()
+
+            # Create the interatomic data containers.
+            self.interpreter.interatom.define(spin_id1='@N', spin_id2='@H')
+
+        # Printout.
+        print("\n\nInteratomic data containers for the 'orig' data pipe:")
+        for interatom in interatomic_loop(pipe='orig'):
+            print("%s %s" % (interatom.spin_id1, interatom.spin_id2))
+        print("\nInteratomic data containers for the 'new' data pipe:")
+        for interatom in interatomic_loop(pipe='new'):
+            print("%s %s" % (interatom.spin_id1, interatom.spin_id2))
 
         # Load the RDCs into the first data pipe.
         self.interpreter.pipe.switch('orig')