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.""" _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits