Author: tlinnet Date: Fri Dec 6 19:23:58 2013 New Revision: 21850 URL: http://svn.gna.org/viewcvs/relax?rev=21850&view=rev Log: Added system test for reading chemical shift from NMRPipe SeriesTab file.
Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. Modified: trunk/test_suite/system_tests/chemical_shift.py Modified: trunk/test_suite/system_tests/chemical_shift.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/chemical_shift.py?rev=21850&r1=21849&r2=21850&view=diff ============================================================================== --- trunk/test_suite/system_tests/chemical_shift.py (original) +++ trunk/test_suite/system_tests/chemical_shift.py Fri Dec 6 19:23:58 2013 @@ -41,6 +41,26 @@ # Create the data pipe. self.interpreter.pipe.create('cs', 'mf') + + + def test_read_nmrpipe_seriestab(self): + """Test the reading of chemical shifts from an NMRPipe seriesTab peak list.""" + + # Read the spins from peak list. + self.interpreter.spectrum.read_spins(file="seriesTab.ser", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', dim=1) + + # Read the chemical shift from the list. + self.interpreter.chemical_shift.read(file="seriesTab.ser", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists') + + # Test the data. + cs = [128.374, 127.066, 124.523] + i = 0 + for spin in spin_loop(): + # Check the shift. + self.assertEqual(spin.chemical_shift, cs[i]) + + # Increment the index. + i += 1 def test_read_nmrview(self): _______________________________________________ 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
