Author: bugman
Date: Tue Mar 3 14:43:18 2015
New Revision: 27744
URL: http://svn.gna.org/viewcvs/relax?rev=27744&view=rev
Log:
Created the Pcs.test_pcs_copy_back_calc system test.
This will be used to implement the back_calc Boolean argument for the pcs.copy
user function to
allow not only measured, but also back-calculated PCS values to be copied. It
matches the
equivalent Rdc.test_rdc_copy_back_calc system test.
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=27744&r1=27743&r2=27744&view=diff
==============================================================================
--- trunk/test_suite/system_tests/pcs.py (original)
+++ trunk/test_suite/system_tests/pcs.py Tue Mar 3 14:43:18 2015
@@ -268,6 +268,64 @@
i += 1
+ def test_pcs_copy_back_calc(self):
+ """Test the operation of the pcs.copy user function for
back-calculated values."""
+
+ # 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)
+
+ # Create back-calculated PCS values from the real values.
+ for spin in spin_loop():
+ if hasattr(spin, 'pcs'):
+ if not hasattr(spin, 'pcs_bc'):
+ spin.pcs_bc = {}
+ spin.pcs_bc['tb'] = spin.pcs['tb']
+ if spin.pcs_bc['tb'] != None:
+ spin.pcs_bc['tb'] += 1.0
+
+ # Copy the PCSs into the second data pipe.
+ self.interpreter.pcs.copy(pipe_from='orig', pipe_to='new',
align_id='tb', back_calc=True)
+
+ # 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'])
+ if pcs[i][j] != None:
+ self.assertAlmostEqual(pcs[i][j]+1.0,
spin.pcs_bc['tb'])
+ else:
+ self.assertEqual(None, spin.pcs_bc['tb'])
+ i += 1
+
+
def test_pcs_load(self):
"""Test for the loading of some PCS data with the spin ID format."""
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