def test_apply_transformation_sets_different_products_parallel(self):
# set_1 = ['[H]OC([H])([H])C([H])(O[H])C([H])([H])[H]']
# set_2 = ['[H]C(=O)C([H])=C([H])[H]', '[H+]', '[H]N=C(O[H])C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C3([H])OC([H])(n4c([H])nc5c(N([H])[H])nc([H])nc54)C([H])(OP(=O)(O[H])O[H])C3([H])O[H])C([H])(O[H])C2([H])O[H])C([H])=C([H])C1([H])[H]']
set_test_compound = "[H][C](=[O])[C]([H])([H])[C]([H])([H])[H]"
compound = Compound(set_test_compound, single_worker = True)
moves = compound.obtain_applicable_transformation_with_move(available_rules = applicable_rules_10_dict)
move_1 = moves[0]
product_set_1 = compound.apply_transformation_with_move(move_1)
move_2 = moves[1]
product_set_2 = compound.apply_transformation_with_move(move_2)
assert set([product.name for product in product_set_1]) != set([product.name for product in product_set_2])
def test_apply_transformation_sets_parallel(self):
set_1 = [Compound('[H]OC([H])([H])C([H])(O[H])C([H])([H])[H]').name]
set_2 = [Compound('[H]C(=O)C([H])=C([H])[H]').name, Compound('[H+]').name, Compound('[H]N=C(O[H])C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C3([H])OC([H])(n4c([H])nc5c(N([H])[H])nc([H])nc54)C([H])(OP(=O)(O[H])O[H])C3([H])O[H])C([H])(O[H])C2([H])O[H])C([H])=C([H])C1([H])[H]').name]
set_test_compound = "[H][C](=[O])[C]([H])([H])[C]([H])([H])[H]"
compound = Compound(set_test_compound, single_worker = True)
moves = compound.obtain_applicable_transformation_with_move(available_rules = applicable_rules_10_dict)
found_set_1 = False
found_set_2 = False
all_found = True
for move in moves:
products = compound.apply_transformation_with_move(move)
if set([product.name for product in products]) == set(set_1):
found_set_1 = True
elif set([product.name for product in products]) == set(set_2):
found_set_2 = True
else:
all_found = False
assert (found_set_1 and found_set_2 and len(moves) == 2)
