Author: bugman Date: Wed Nov 25 18:09:04 2015 New Revision: 28096 URL: http://svn.gna.org/viewcvs/relax?rev=28096&view=rev Log: Updates to the Noe and Structure system test classes for the internal structural object changes.
The serial number can now be reset, and the chain ID information is no longer stored. Modified: trunk/test_suite/system_tests/noe.py trunk/test_suite/system_tests/structure.py Modified: trunk/test_suite/system_tests/noe.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/noe.py?rev=28096&r1=28095&r2=28096&view=diff ============================================================================== --- trunk/test_suite/system_tests/noe.py (original) +++ trunk/test_suite/system_tests/noe.py Wed Nov 25 18:09:04 2015 @@ -63,9 +63,9 @@ "# Parameter description: The steady-state NOE value.\n", "#\n", "# mol_name res_num res_name spin_num spin_name value error \n", - "2AT7_fmf 12 PHE 150 N 0.803029108487728 0.0199040298831904 \n", - "2AT7_fmf 13 ASN 170 N 0.829415981681132 0.0339996453012768 \n", - "2AT7_fmf 14 LYS 184 N 0.755789564728523 0.0250941717735858 \n" + "2AT7_fmf 12 PHE 1 N 0.803029108487728 0.0199040298831904 \n", + "2AT7_fmf 13 ASN 21 N 0.829415981681132 0.0339996453012768 \n", + "2AT7_fmf 14 LYS 35 N 0.755789564728523 0.0250941717735858 \n" ] # Printout of the real and generated data. Modified: trunk/test_suite/system_tests/structure.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=28096&r1=28095&r2=28096&view=diff ============================================================================== --- trunk/test_suite/system_tests/structure.py (original) +++ trunk/test_suite/system_tests/structure.py Wed Nov 25 18:09:04 2015 @@ -3771,7 +3771,6 @@ # The real atomic data. atom_name = ['N', 'CA', '1HA', '2HA', 'C', 'O', '1HT', '2HT', '3HT', 'N', 'CD', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', '1HG', '2HG', '1HD', '2HD', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', 'HG', 'CD1', '1HD1', '2HD1', '3HD1', 'CD2', '1HD2', '2HD2', '3HD2', 'C', 'O', 'N', 'H', 'CA', '1HA', '2HA', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'OG', 'HG', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', '1HG', '2HG', 'SD', 'CE', '1HE', '2HE', '3HE', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', 'OD1', 'OD2', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'OG', 'HG', 'C', 'O', 'N', 'CD', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', '1HG', '2HG', '1HD', '2HD', 'C', 'O', 'N', 'CD', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', '1HG', '2HG', '1HD', '2HD', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', '1HG', '2HG', 'CD', 'OE1', 'OE2', 'C', 'O', 'N', 'H', 'CA', '1HA', '2HA', 'C', 'O'] bonded = [[]]*174 - chain_id = [None]*174 element = ['N', 'C', 'H', 'H', 'C', 'O', 'H', 'H', 'H', 'N', 'C', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'H', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'C', 'H', 'H', 'H', 'C', 'H', 'H', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'O', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'S', 'C', 'H', 'H', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'C', 'O', 'O', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'O', 'H', 'C', 'O', 'N', 'C', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'H', 'H', 'C', 'O', 'N', 'C', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'H', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'C', 'O', 'O', 'C', 'O', 'N', 'H', 'C', 'H', 'H', 'C', 'O'] pdb_record = ['ATOM']*174 res_name = ['GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY'] @@ -3786,7 +3785,6 @@ for i in range(len(mol.atom_name)): self.assertEqual(mol.atom_name[i], atom_name[i]) self.assertEqual(mol.bonded[i], bonded[i]) - self.assertEqual(mol.chain_id[i], chain_id[i]) self.assertEqual(mol.element[i], element[i]) self.assertEqual(mol.pdb_record[i], pdb_record[i]) self.assertEqual(mol.res_name[i], res_name[i]) @@ -3916,7 +3914,6 @@ self.assertEqual(mol.atom_name, ['N', 'N']) self.assertEqual(mol.atom_num, [None, None]) self.assertEqual(mol.bonded, [[], []]) - self.assertEqual(mol.chain_id, [None, None]) self.assertEqual(mol.element, ['N', 'N']) self.assertEqual(mol.pdb_record, [None, None]) self.assertEqual(mol.res_name, ['Tyr', 'Phe']) @@ -3975,7 +3972,6 @@ self.assertEqual(cdp.structure.structural_data[i].mol[0].atom_num, [None, None, None]) self.assertEqual(cdp.structure.structural_data[i].mol[0].atom_name, ['A', 'A', 'A']) self.assertEqual(cdp.structure.structural_data[i].mol[0].bonded, [[], [], []]) - self.assertEqual(cdp.structure.structural_data[i].mol[0].chain_id, [None, None, None]) self.assertEqual(cdp.structure.structural_data[i].mol[0].element, ['S', 'S', 'S']) self.assertEqual(cdp.structure.structural_data[i].mol[0].pdb_record, [None, None, None]) self.assertEqual(cdp.structure.structural_data[i].mol[0].res_name, ['UNK', 'UNK', 'UNK']) @@ -4030,7 +4026,6 @@ self.assertEqual(cdp.structure.structural_data[0].mol[i].atom_num, [None, None, None]) self.assertEqual(cdp.structure.structural_data[0].mol[i].atom_name, ['A', 'A', 'A']) self.assertEqual(cdp.structure.structural_data[0].mol[i].bonded, [[], [], []]) - self.assertEqual(cdp.structure.structural_data[0].mol[i].chain_id, [None, None, None]) self.assertEqual(cdp.structure.structural_data[0].mol[i].element, ['S', 'S', 'S']) self.assertEqual(cdp.structure.structural_data[0].mol[i].pdb_record, [None, None, None]) self.assertEqual(cdp.structure.structural_data[0].mol[i].res_name, ['UNK', 'UNK', 'UNK']) @@ -4321,7 +4316,6 @@ # Check the first atom. self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[0], 1) self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_name[0], 'N') - self.assertEqual(cdp.structure.structural_data[0].mol[0].chain_id[0], 'A') self.assertEqual(cdp.structure.structural_data[0].mol[0].res_name[0], 'MET') self.assertEqual(cdp.structure.structural_data[0].mol[0].res_num[0], 1) self.assertEqual(cdp.structure.structural_data[0].mol[0].x[0], 27.340) @@ -4332,7 +4326,6 @@ # Check the last atom (from the last ATOM record, as water HETATM records are skipped). self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[-1], 602) self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_name[-1], 'OXT') - self.assertEqual(cdp.structure.structural_data[0].mol[0].chain_id[-1], 'A') self.assertEqual(cdp.structure.structural_data[0].mol[0].res_name[-1], 'GLY') self.assertEqual(cdp.structure.structural_data[0].mol[0].res_num[-1], 76) self.assertEqual(cdp.structure.structural_data[0].mol[0].x[-1], 40.862) _______________________________________________ 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