Author: tlinnet Date: Fri Dec 6 18:11:29 2013 New Revision: 21843 URL: http://svn.gna.org/viewcvs/relax?rev=21843&view=rev Log: Added system for using generic file for reading spins.
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=21843&r1=21842&r2=21843&view=diff ============================================================================== --- trunk/test_suite/system_tests/peak_lists.py (original) +++ trunk/test_suite/system_tests/peak_lists.py Fri Dec 6 18:11:29 2013 @@ -139,6 +139,53 @@ # Check the values. for i in range(len(times)): self.assertEqual(spin.intensities[names[i]], heights[index][i]) + + + def test_read_spins_peak_list_generic(self): + """Test the reading of spins from a generic peak intensity list.""" + + # Read the peak spins. + self.interpreter.spectrum.read_spins(file="generic_intensity.txt", dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', res_num_col=1, res_name_col=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), 5) + + # 1st residue. + self.assertEqual(cdp.mol[0].res[0].num, 20) + self.assertEqual(cdp.mol[0].res[0].name, 'GLY') + 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, None) + + # 2nd residue. + self.assertEqual(cdp.mol[0].res[1].num, 23) + self.assertEqual(cdp.mol[0].res[1].name, 'ALA') + 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, None) + + # 3rd residue. + self.assertEqual(cdp.mol[0].res[2].num, 34) + self.assertEqual(cdp.mol[0].res[2].name, 'CYS') + 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, None) + + # 4th residue. + self.assertEqual(cdp.mol[0].res[3].num, 35) + self.assertEqual(cdp.mol[0].res[3].name, 'MET') + self.assertEqual(len(cdp.mol[0].res[3].spin), 1) + self.assertEqual(cdp.mol[0].res[3].spin[0].num, None) + self.assertEqual(cdp.mol[0].res[3].spin[0].name, None) + + # 5th residue. + self.assertEqual(cdp.mol[0].res[4].num, 36) + self.assertEqual(cdp.mol[0].res[4].name, 'LYS') + 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, None) def test_read_spins_peak_list_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
