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test_constraints

Questions about constraints:

  • the first 3 constraints are working as expected and are just added to reduce the amount of solutions

Question 1:

!F Exists (?x) 'Aluminium'(?x)

This constraint should eliminate all solutions that use 'Aluminium' as a type. However, Aluminium is still being used as a possible input. When I use the predefined constraint nuse_t it works. Why is the SLTLx version of that constraint not working?

Question 2:

!F Exists (?x) Exists (?y) ((<'CalculateVacancyFormationEnergy'(?x,?y;)> true) & !R(?y,?x))

The goal with this constraint is to make sure that the two inputs for 'CalculateVacancyFormationEnergy' originate from the same structure. This is the case in solution 1 but not in solution 3. However, it seems to me that some types are not being recognized / correctly evaluated by the formula.
I was testing this with the following formula:
!F Exists (?x) ((<'CreateStructure'(;?x)> true) & (F Exists (?y) ((<'CalculateVacancyFormationEnergy'(;?y)> true) & (R(?x,?y)))))
In my opinion, this should lead to 0 solutions, because the output of 'CalculateVacancyFormationEnergy' will always be derived from an output of 'CreateStructure'. However, it seems to have no effect on the solutions. When I insert the tool 'CreateProject' instead of 'CreateStructure' the formula has the expected outcome of 0 solutions. Why is this the case?

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