Author: bugman Date: Tue Feb 3 18:05:58 2009 New Revision: 8723 URL: http://svn.gna.org/viewcvs/relax?rev=8723&view=rev Log: Wrote 2 new system tests for the new structural data design. In test_read_pdb_internal6(), 2 different structures are loaded as 2 molecules. In test_read_pdb_internal7(), 2 identical structures are loaded as 2 molecules. 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=8723&r1=8722&r2=8723&view=diff ============================================================================== --- 1.3/test_suite/system_tests/structure.py (original) +++ 1.3/test_suite/system_tests/structure.py Tue Feb 3 18:05:58 2009 @@ -228,6 +228,40 @@ self.relax.interpreter._Structure.load_spins() + def test_read_pdb_internal6(self): + """Load the 'lactose_MCMM4_S1_1.pdb' and 'lactose_MCMM4_S1_2.pdb' PDB files as 2 separate structures (using the internal structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures/lactose' + + # Read the PDB twice. + self.relax.interpreter._Structure.read_pdb(file='lactose_MCMM4_S1_1.pdb', dir=path, parser='internal') + self.relax.interpreter._Structure.read_pdb(file='lactose_MCMM4_S1_2.pdb', dir=path, parser='internal') + + # Try loading a few protons. + self.relax.interpreter._Structure.load_spins('@*H*') + + # And now all the rest of the atoms. + self.relax.interpreter._Structure.load_spins() + + + def test_read_pdb_internal7(self): + """Load the 'lactose_MCMM4_S1_1.pdb' PDB file twice as 2 separate structures (using the internal structural object PDB reader).""" + + # Path of the files. + path = sys.path[-1] + '/test_suite/shared_data/structures/lactose' + + # Read the PDB twice. + self.relax.interpreter._Structure.read_pdb(file='lactose_MCMM4_S1_1.pdb', dir=path, parser='internal') + self.relax.interpreter._Structure.read_pdb(file='lactose_MCMM4_S1_1.pdb', dir=path, parser='internal') + + # Try loading a few protons. + self.relax.interpreter._Structure.load_spins('@*H*') + + # And now all the rest of the atoms. + self.relax.interpreter._Structure.load_spins() + + def test_read_pdb_mol_2_model_internal(self): """Load a few 'lactose_MCMM4_S1_*.pdb' PDB files as models (using the internal structural object PDB reader)."""