Datasets and properties#358
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…ait for pure and binary PC-SAFT impl
prehner
approved these changes
May 22, 2026
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This PR is part one of a replacement for #350. It introduces data set structures for pure substances and binary mixtures. The goal is to make working with (experimental) data collections easier.
Data sets are provided for pure substances and binary mixtures. A data set is connected to a property such as vapor pressures or bubble point pressures. Once created, it can be evaluated from currently existing equations of state (non-AD). Furthermore, for models that support parameter-ad, parameter gradients can be computed. In a next PR this will be connected to a regression framework.
Infrastructure changes:
ndarraynon-optional. Can be reverted if there are strong opinions about it.