Author: tlinnet Date: Fri Dec 6 13:23:29 2013 New Revision: 21829 URL: http://svn.gna.org/viewcvs/relax?rev=21829&view=rev Log: Implemented system test for reading spins from an xeasy 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/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=21829&r1=21828&r2=21829&view=diff ============================================================================== --- trunk/test_suite/system_tests/peak_lists.py (original) +++ trunk/test_suite/system_tests/peak_lists.py Fri Dec 6 13:23:29 2013 @@ -331,6 +331,49 @@ 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') + + + def test_read_spins_peak_list_xeasy(self): + """Test the reading of spins from an XEasy peak list.""" + + # Read the peak list. + self.interpreter.spectrum.read_spins(file="xeasy_r1_20ms.text", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists') + + # 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), 21) + + # 1st residue. + self.assertEqual(cdp.mol[0].res[0].num, 21) + self.assertEqual(cdp.mol[0].res[0].name, 'LEU') + self.assertEqual(len(cdp.mol[0].res[0].spin), 1) + self.assertEqual(cdp.mol[0].res[0].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'N') + + # 2nd residue. + self.assertEqual(cdp.mol[0].res[1].num, 79) + self.assertEqual(cdp.mol[0].res[1].name, 'TRP') + self.assertEqual(len(cdp.mol[0].res[1].spin), 1) + self.assertEqual(cdp.mol[0].res[1].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[1].spin[0].name, 'NE1') + + # 3rd residue. + self.assertEqual(cdp.mol[0].res[2].num, 110) + self.assertEqual(cdp.mol[0].res[2].name, 'PHE') + self.assertEqual(len(cdp.mol[0].res[2].spin), 1) + self.assertEqual(cdp.mol[0].res[2].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[2].spin[0].name, 'N') + + # 10th residue. + self.assertEqual(cdp.mol[0].res[9].num, 107) + self.assertEqual(cdp.mol[0].res[9].name, 'TRP') + self.assertEqual(len(cdp.mol[0].res[9].spin), 2) + self.assertEqual(cdp.mol[0].res[9].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[9].spin[0].name, 'N') + self.assertEqual(cdp.mol[0].res[9].spin[1].num, None) + self.assertEqual(cdp.mol[0].res[9].spin[1].name, 'C') + def test_read_peak_list_generic(self): """Test the reading of a generic peak intensity list.""" _______________________________________________ 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
