def test_GetResults_from_Compounds_fraction(self): csmile = "[H][C](=[O])[C]([H])([H])[C]([H])([H])[H]" chassis_2_smile = "[H][O][C](=[O])[C](=[O])[C]([H])([H])[C]([H])([O][H])[C]([H])([O][H])[C]([H])([H])[H]" outside_compound = Compound(csmile) chassis_2 = Compound(chassis_2_smile) state_chassis = ChemicalCompoundState([chassis_2, outside_compound], organism=Test_organism_H) assert state_chassis.GetResults_from_Compounds( rewarding=Basic_Rollout_Reward) == 1 / 2
def test_GetResults_from_Compounds_reward(self): chassis_1_smile = "[H+]" chassis_2_smile = "[H][O][C](=[O])[C](=[O])[C]([H])([H])[C]([H])([O][H])[C]([H])([O][H])[C]([H])([H])[H]" chassis_1 = Compound(chassis_1_smile) chassis_2 = Compound(chassis_2_smile) state_chassis = ChemicalCompoundState([chassis_1, chassis_2], organism=Test_organism_H) assert state_chassis.GetResults_from_Compounds( rewarding=Basic_Rollout_Reward ) == Basic_Rollout_Reward.full_state_reward
def test_GetResults_from_Compounds_penalty(self): csmile = "[H][C](=[O])[C]([H])([H])[C]([H])([H])[H]" compound = Compound(csmile) state = ChemicalCompoundState([compound], organism=Test_organism_H) assert state.GetResults_from_Compounds( rewarding=Basic_Rollout_Reward) == -1