Author: bugman Date: Fri Jun 21 18:23:24 2013 New Revision: 20248 URL: http://svn.gna.org/viewcvs/relax?rev=20248&view=rev Log: Test function for NMRPipe SeriesTab format implemented. Progress sr #3043: (https://gna.org/support/index.php?3043) - Support for NMRPipe seriesTab format *.ser. An assertEqual test is implemented for the reading of NMRPipe SeriesTab format. The standalone call is: relax -s Peak_lists.test_read_peak_list_NMRPipe_seriesTab Modified: trunk/test_suite/system_tests/peak_lists.py Modified: trunk/test_suite/system_tests/peak_lists.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/peak_lists.py?rev=20248&r1=20247&r2=20248&view=diff ============================================================================== --- trunk/test_suite/system_tests/peak_lists.py (original) +++ trunk/test_suite/system_tests/peak_lists.py Fri Jun 21 18:23:24 2013 @@ -2,6 +2,7 @@ # # # Copyright (C) 2008-2013 Edward d'Auvergne # # Copyright (C) 2008 Sebastien Morin # +# Copyright (C) 2013 Troels E. Linnet # # # # This file is part of the program relax (http://www.nmr-relax.com). # # # @@ -199,6 +200,26 @@ # Test the data. self.assertEqual(list(cdp.mol[0].res[0].spin[0].intensities.values())[0], -0.1694) self.assertEqual(list(cdp.mol[0].res[1].spin[0].intensities.values())[0], -0.1142) + + + def test_read_peak_list_NMRPipe_seriesTab(self): + """Test the reading of an NMRPipe seriesTab peak list.""" + + # Create the sequence data, and name the spins. + self.interpreter.residue.create(62) + self.interpreter.spin.name(name='NE1') + self.interpreter.residue.create(10) + self.interpreter.residue.create(6) + self.interpreter.spin.name(name='N', spin_id=1) + self.interpreter.spin.name(name='N', spin_id=1) + + # Read the peak list. + self.interpreter.spectrum.read_intensities(file="seriesTab.ser", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', spectrum_id='test', int_method='height') + + # Test the data. + self.assertEqual(list(cdp.mol[0].res[0].spin[0].intensities['test']), +1.851056e+06) + self.assertEqual(list(cdp.mol[0].res[1].spin[1].intensities['test']), +3.224387e+05) + self.assertEqual(list(cdp.mol[0].res[2].spin[1].intensities['test']), +1.479366e+06) def test_read_peak_list_sparky(self):