Author: bugman Date: Wed Nov 26 18:02:05 2008 New Revision: 8026 URL: http://svn.gna.org/viewcvs/relax?rev=8026&view=rev Log: Wrote 8 system tests for reading various PDB files using the internal and Scientific python objects. Modified: 1.3/test_suite/system_tests/structure.py Modified: 1.3/test_suite/system_tests/structure.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/structure.py?rev=8026&r1=8025&r2=8026&view=diff ============================================================================== --- 1.3/test_suite/system_tests/structure.py (original) +++ 1.3/test_suite/system_tests/structure.py Wed Nov 26 18:02:05 2008 @@ -128,3 +128,85 @@ # Check the atomic data. self.assertEqual(cdp.structure.structural_data[0].peptide_chains[0].sequence(), res_name) + + + def test_read_pdb_internal1(self): + """Load the '1F35_N_H_molmol.pdb' PDB file (using the internal structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='1F35_N_H_molmol.pdb', dir=path, parser='internal') + + + def test_read_pdb_internal2(self): + """Load the 'Ap4Aase_res1-12.pdb' PDB file (using the internal structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', dir=path, parser='internal') + + + def test_read_pdb_internal3(self): + """Load the 'gromacs_phthalic_acid.pdb' PDB file (using the internal structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='gromacs_phthalic_acid.pdb', dir=path, parser='internal') + + + def test_read_pdb_internal4(self): + """Load the 'tylers_peptide_trunc.pdb' PDB file (using the internal structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='tylers_peptide_trunc.pdb', dir=path, parser='internal') + + + def test_read_pdb_scientific1(self): + """Load the '1F35_N_H_molmol.pdb' PDB file (using the Scientific python structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='1F35_N_H_molmol.pdb', dir=path, parser='scientific') + + + def test_read_pdb_scientific2(self): + """Load the 'Ap4Aase_res1-12.pdb' PDB file (using the Scientific python structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', dir=path, parser='scientific') + + + def test_read_pdb_scientific3(self): + """Load the 'gromacs_phthalic_acid.pdb' PDB file (using the Scientific python structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='gromacs_phthalic_acid.pdb', dir=path, parser='scientific') + + + def test_read_pdb_scientific4(self): + """Load the 'tylers_peptide_trunc.pdb' PDB file (using the Scientific python structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures' + + # Read the PDB. + self.relax.interpreter._Structure.read_pdb(file='tylers_peptide_trunc.pdb', dir=path, parser='scientific') + +