feos-org / feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory

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Feedback for users regarding the availability of binary interaction parameters

prehner opened this issue · comments

Currently, if the user provides a file containing binary interaction parameters, there is no feedback regarding whether interaction parameters for the individual binary systems are actually available. For users that can be seen as somewhat intransparent. A possible remedies would be a warning in Rust, but in general, print statements in Rust that can not be avoided from Python whatsoever should be only used in cases of serial failure (or maybe not at all).

Maybe warnings by default and an additional parameter that disables warnings could be a solution.