def test_default_no_line_type(self): line = 'ATOM 12 NH2 ARG A 1 2.559 16.752 1.00 1.00 N' atom = read_atom_line(line) assert atom.__class__.__name__ == "Atom"
def test_default_occupancy(self): line = 'ATOM 12 NH2 ARG A 1 2.559 16.752 1.00 14.90 N' atom = read_atom_line(line, "ATOM") assert_almost_equals(1.0, atom.occupancy)
def test_default_b_factor(self): line = 'ATOM 12 NH2 ARG A 1 2.559 16.752 1.00 1.00 N' atom = read_atom_line(line, "ATOM") assert_almost_equals(0.0, atom.b_factor)
def test_wrong_atom_number(self): line = 'ATOM OO NH2 ARG A 1 2.559 16.752 1.00 1.00 14.90 N' read_atom_line(line, "ATOM") assert False
def test_wrong_residue_number(self): line = 'ATOM 12 NH2 ARG A A 2.559 16.752 1.00 1.00 14.90 N' read_atom_line(line, "ATOM") assert False
def test_read_wrong_atom_line(self): line = 'ATOM 11 NH2 ARG A 1 2.559 16.752 AA 1.00 14.90 N' read_atom_line(line, "ATOM") assert False
def test_read_nan_in_atom_line(self): line = 'ATOM 11 NH2 ARG A 1 2.559 16.752 NaN 1.00 14.90 N' read_atom_line(line, "ATOM") assert False
def test_default_no_line_type(self): line = 'ATOM 12 NH2 ARG A 1 2.559 16.752 1.00 1.00 N' atom = read_atom_line(line) assert "Atom" == atom.__class__.__name__