def create_molecule():
val = struct.Molecule()
val.index = 1000
val._chains = [struct.Chain(), create_chain(), struct.Chain(), create_chain()]
val.name = "MIOLECASDFULE"
val._associated = dict([("key1", "val1"), ("key2","val2"),("key3", "val3"), ("key4","val4")])
return val
def test_parent_pointers():
atom = struct.Atom()
bond = struct.Bond()
residue = struct.Residue()
chain = struct.Chain()
molecule = struct.Molecule()
complex = struct.Complex()
assert_no_parents(atom, bond, residue, chain, molecule, complex)
complex.add_molecule(molecule)
molecule.add_chain(chain)
chain.add_residue(residue)
residue.add_atom(atom)
residue.add_bond(bond)
assert_parents(atom, bond, residue, chain, molecule, complex)
complex.remove_molecule(molecule)
molecule.remove_chain(chain)
chain.remove_residue(residue)
residue.remove_atom(atom)
residue.remove_bond(bond)
assert_no_parents(atom, bond, residue, chain, molecule, complex)
def test_structure_creates():
assert_equal(structure.Atom().__class__,
_structure._Atom._create().__class__)
assert_equal(structure.Bond().__class__,
_structure._Bond._create().__class__)
assert_equal(structure.Residue().__class__,
_structure._Residue._create().__class__)
assert_equal(structure.Chain().__class__,
_structure._Chain._create().__class__)
assert_equal(structure.Molecule().__class__,
_structure._Molecule._create().__class__)
assert_equal(structure.Complex().__class__,
_structure._Complex._create().__class__)
assert_equal(structure.Workspace().__class__,
_structure._Workspace._create().__class__)
def test_equality():
assert_equal(create_atom(), create_atom(), options)
assert_equal(create_bond(), create_bond(), options)
assert_equal(create_residue(), create_residue(), options)
assert_equal(create_chain(), create_chain(), options)
assert_equal(create_molecule(), create_molecule(), options)
assert_equal(create_complex(), create_complex(), options)
assert_equal(create_workspace(), create_workspace(), options)
assert_not_equal(create_atom(), struct.Atom(), options)
assert_not_equal(create_bond(), struct.Bond(), options)
assert_not_equal(create_residue(), struct.Residue(), options)
assert_not_equal(create_chain(), struct.Chain(), options)
assert_not_equal(create_molecule(), struct.Molecule(), options)
assert_not_equal(create_complex(), struct.Complex(), options)
assert_not_equal(create_workspace(), struct.Workspace(), options)
def create_chain():
val = struct.Chain()
val.index = 1000
val._residues = [struct.Residue(), create_residue(), struct.Residue(), create_residue()]
val.name = "fdasa1234"
return val