Author: tlinnet Date: Fri Dec 6 15:35:08 2013 New Revision: 21838 URL: http://svn.gna.org/viewcvs/relax?rev=21838&view=rev Log: Implemented system test for using double assignments in sparky formatted files.
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/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=21838&r1=21837&r2=21838&view=diff ============================================================================== --- trunk/test_suite/system_tests/peak_lists.py (original) +++ trunk/test_suite/system_tests/peak_lists.py Fri Dec 6 15:35:08 2013 @@ -334,6 +334,76 @@ self.assertEqual(len(cdp.mol[0].res[5].spin), 2) self.assertEqual(cdp.mol[0].res[5].spin[0].num, None) self.assertEqual(cdp.mol[0].res[5].spin[0].name, 'N') + + + def test_read_spins_peak_list_sparky_with_2dim_ass(self): + """Test the reading of spins from a Sparky peak list with two dimensional assignment""" + + # Read the spins from peak list. + self.interpreter.spectrum.read_spins(file="sparky2dim.list", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', dim=1) + self.interpreter.spectrum.read_spins(file="sparky2dim.list", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', dim=2) + + # Test some of the sequence. + self.assertEqual(len(cdp.mol), 1) + self.assertEqual(cdp.mol[0].name, None) + self.assertEqual(len(cdp.mol[0].res), 7) + + # 1st residue. + self.assertEqual(cdp.mol[0].res[0].num, 62) + self.assertEqual(cdp.mol[0].res[0].name, 'W') + self.assertEqual(len(cdp.mol[0].res[0].spin), 2) + self.assertEqual(cdp.mol[0].res[0].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'NE1') + self.assertEqual(cdp.mol[0].res[0].spin[1].num, None) + self.assertEqual(cdp.mol[0].res[0].spin[1].name, 'HE1') + + # 2nd residue. + self.assertEqual(cdp.mol[0].res[1].num, 10) + self.assertEqual(cdp.mol[0].res[1].name, 'L') + self.assertEqual(len(cdp.mol[0].res[1].spin), 2) + self.assertEqual(cdp.mol[0].res[1].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[1].spin[0].name, 'N') + self.assertEqual(cdp.mol[0].res[1].spin[1].num, None) + self.assertEqual(cdp.mol[0].res[1].spin[1].name, 'HN') + + # 3rd residue. + self.assertEqual(cdp.mol[0].res[2].num, 6) + self.assertEqual(cdp.mol[0].res[2].name, 'V') + self.assertEqual(len(cdp.mol[0].res[2].spin), 2) + self.assertEqual(cdp.mol[0].res[2].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[2].spin[0].name, 'N') + self.assertEqual(cdp.mol[0].res[2].spin[1].num, None) + self.assertEqual(cdp.mol[0].res[2].spin[1].name, 'HN') + + # 4th residue. + self.assertEqual(cdp.mol[0].res[3].num, 2) + self.assertEqual(cdp.mol[0].res[3].name, 'T') + self.assertEqual(len(cdp.mol[0].res[3].spin), 2) + self.assertEqual(cdp.mol[0].res[3].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[3].spin[0].name, 'N') + self.assertEqual(cdp.mol[0].res[3].spin[1].num, None) + self.assertEqual(cdp.mol[0].res[3].spin[1].name, 'HN') + + # 5th residue. + self.assertEqual(cdp.mol[0].res[4].num, 3) + self.assertEqual(cdp.mol[0].res[4].name, 'K') + self.assertEqual(len(cdp.mol[0].res[4].spin), 1) + self.assertEqual(cdp.mol[0].res[4].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[4].spin[0].name, 'N') + + # 6th residue. + self.assertEqual(cdp.mol[0].res[5].num, 4) + self.assertEqual(cdp.mol[0].res[5].name, 'A') + self.assertEqual(len(cdp.mol[0].res[5].spin), 1) + self.assertEqual(cdp.mol[0].res[5].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[5].spin[0].name, 'N') + + # 7th residue. + self.assertEqual(cdp.mol[0].res[6].num, 5) + self.assertEqual(cdp.mol[0].res[6].name, 'V') + self.assertEqual(len(cdp.mol[0].res[6].spin), 1) + self.assertEqual(cdp.mol[0].res[6].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[6].spin[0].name, 'N') def test_read_spins_peak_list_xeasy(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
