def setUp(self):
self.tol = 1e-23
self.Fe78_res_dict = load_json_file(resolve_resource("pyisocalc", "single_pattern", "Fe78"))
'charge': lambda: 0
}),
'H': SimpleMock({
'get_segments': lambda: [SegmentStub(element_stubs['H'], 1)],
'charge': lambda: 1
}),
'Fe100H89O10': SimpleMock({
'get_segments': lambda: [SegmentStub(element_stubs['Fe'], 100), SegmentStub(element_stubs['H'], 89),
SegmentStub(element_stubs['O'], 10)],
'charge': lambda: 369
})
}
chemcalc_ref_values = {}
for sf_str in sf_stubs:
fn = resolve_resource("pyisocalc", "perfect_pattern", sf_str)
res_dict = load_json_file(fn)
chemcalc_ref_values[sf_str] = res_dict
class ElementTest(unittest.TestCase):
def test_init(self):
valid_args = ('H', 'Ar', 1, 49)
valueerror_args = ('', 'foo', -45, 2345)
typeerror_args = (1.0, None)
for arg in valid_args:
Element(arg)
for arg in valueerror_args:
self.assertRaises(ValueError, Element, arg)
for arg in typeerror_args:
self.assertRaises(TypeError, Element, arg)
