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Fix mole fractions in excess properties and add tests #576

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Description

Fixes #575

This PR:

  • adds tests for a particular enthalpy property and ensures mole fraction calculations
  • adds a fix for the mole fraction usage

Todos

Notable points that this PR has either accomplished or will accomplish.

  • add in trajectory.dcd files which are currently required for the conditional_group to not raise an error
  • Check tests fail for the correct reason
  • Add in fix and check tests pass

@lilyminium lilyminium closed this Oct 1, 2024
@lilyminium lilyminium mentioned this pull request Oct 1, 2024
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Weighting in excess properties done by ThermoML mole fractions rather than simulation mole fractions
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