def test_check_sanitized_state_yes(self):
csmile = "[H][C](=[O])[C]([H])([H])[C]([H])([H])[H]"
csmile_2 = "[H][O][C]([H])([H])[C]([H])([O][H])[C]([H])([H])[H]"
compound = Compound(csmile)
compound_2 = Compound(csmile_2)
state = ChemicalCompoundState([compound,
compound_2]) # state is not sanitised
assert state._check_sanitized_state()
def test_check_sanitized_state_not(self):
csmile = "[H][C](=[O])[C]([H])([H])[C]([H])([H])[H]"
unstandardised = "C(=O)CC"
compound = Compound(csmile)
compound_ns = Compound(unstandardised)
state = ChemicalCompoundState(
[compound, compound_ns], main_layer=True) # state is not sanitised
assert state._check_sanitized_state()