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')
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