Author: bugman
Date: Tue Mar 3 14:17:41 2015
New Revision: 27741
URL: http://svn.gna.org/viewcvs/relax?rev=27741&view=rev
Log:
Created the Pcs.test_pcs_copy_different_spins system test.
This will be used to show a limitation of the pcs.copy user function in that it
cannot copy data
between two data pipes with different molecule, residue, and spin sequences.
Modified:
trunk/test_suite/system_tests/pcs.py
Modified: trunk/test_suite/system_tests/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/pcs.py?rev=27741&r1=27740&r2=27741&view=diff
==============================================================================
--- trunk/test_suite/system_tests/pcs.py (original)
+++ trunk/test_suite/system_tests/pcs.py Tue Mar 3 14:17:41 2015
@@ -1,6 +1,6 @@
###############################################################################
# #
-# Copyright (C) 2011-2013 Edward d'Auvergne #
+# Copyright (C) 2011-2015 Edward d'Auvergne #
# #
# This file is part of the program relax (http://www.nmr-relax.com). #
# #
@@ -221,6 +221,51 @@
for spin in spin_loop():
self.assertEqual(pcs[i], spin.pcs['tb'])
i += 1
+
+
+ def test_pcs_copy_different_spins(self):
+ """Test the operation of the pcs.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 = ['@C2', '@H17']
+ 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='pcs.txt', dir=dir,
spin_name_col=1)
+
+ # Delete the spin.
+ self.interpreter.spin.delete(delete[i])
+ self.interpreter.sequence.display()
+
+ # Load the PCSs into the first data pipe.
+ self.interpreter.pipe.switch('orig')
+ self.interpreter.pcs.read(align_id='tb', file='pcs.txt', dir=dir,
spin_name_col=1, data_col=2)
+
+ # Copy the PCSs into the second data pipe.
+ self.interpreter.pcs.copy(pipe_from='orig', pipe_to='new',
align_id='tb')
+
+ # Checks.
+ pcs = [
+ [0.004, 0.021, 0.029, 0.016, 0.010, 0.008, 0.003, 0.006, 0.003,
0.007, 0.005, 0.001, 0.070, None, 0.025, 0.098, 0.054, 0.075, 0.065, None,
0.070, 0.015, 0.098, 0.060, 0.120],
+ [0.004, 0.008, 0.021, 0.029, 0.016, 0.010, 0.008, 0.003, 0.006,
0.003, 0.007, 0.005, 0.001, 0.070, None, 0.025, 0.098, 0.054, 0.075, 0.065,
None, 0.070, 0.015, 0.098, 0.120]
+ ]
+ for i in range(2):
+ self.assertEqual(count_spins(), 26)
+ self.assertEqual(len(cdp.interatomic), 0)
+ i = 0
+ for spin in spin_loop():
+ # Atom C2 in the 'new' data pipe has no PCSs.
+ if i == 1 and j == 1:
+ self.assert_(not hasattr(spin, 'pcs'))
+ else:
+ self.assertAlmostEqual(pcs[i][j], spin.pcs['tb'])
+ i += 1
def test_pcs_load(self):
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