Author: bugman
Date: Mon Mar 2 16:55:08 2015
New Revision: 27725
URL: http://svn.gna.org/viewcvs/relax?rev=27725&view=rev
Log:
Created a system test to show a limitation of the rdc.copy user function.
Currently, it cannot work when spin systems in two data pipes are different.
The system test will
be used to implement the support.
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=27725&r1=27724&r2=27725&view=diff
==============================================================================
--- trunk/test_suite/system_tests/rdc.py (original)
+++ trunk/test_suite/system_tests/rdc.py Mon Mar 2 16:55:08 2015
@@ -76,6 +76,50 @@
i += 1
+ def test_rdc_copy_different_spins(self):
+ """Test the operation of the rdc.copy user function for two data pipes
with different spin system."""
+
+ # Data directory.
+ dir = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'align_data'+sep
+
+ # Set up two data identical pipes.
+ pipes = ['orig', 'new']
+ delete = [':6', ':11']
+ for i in range(2):
+ # Create a data pipe.
+ self.interpreter.pipe.create(pipes[i], 'N-state')
+
+ # Load the spins.
+ self.interpreter.sequence.read(file='tb.txt', dir=dir,
spin_id_col=1)
+ self.interpreter.sequence.attach_protons()
+ self.interpreter.sequence.display()
+
+ # Delete the N and H spins.
+ self.interpreter.spin.delete(spin_id='%s@N'%delete[i])
+ self.interpreter.spin.delete(spin_id='%s@H'%delete[i])
+
+ # Load the RDCs into the first data pipe.
+ self.interpreter.pipe.switch('orig')
+ self.interpreter.rdc.read(align_id='tb', file='tb.txt', dir=dir,
spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=4)
+
+ # Copy the RDCs into the second data pipe.
+ self.interpreter.rdc.copy(pipe_from='orig', align_id='tb')
+
+ # Checks.
+ rdcs = [
+ [ -26.2501958629, 7.26317614156, -1.24840526981, 5.31803314334,
14.0362909456, 1.33652530397, -1.6021670281],
+ [ -26.2501958629, 9.93081766942, 7.26317614156, -1.24840526981,
5.31803314334, 14.0362909456, -1.6021670281]
+ ]
+ for i in range(2):
+ self.interpreter.pipe.switch(pipe_name=pipes[i])
+ self.assertEqual(count_spins(), 14)
+ self.assertEqual(len(cdp.interatomic), 7)
+ j = 0
+ for interatom in interatomic_loop():
+ self.assertAlmostEqual(rdcs[i][j], interatom.rdc['tb'])
+ j += 1
+
+
def test_rdc_load(self):
"""Test for the loading of some RDC data with the spin ID format."""
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