Overhaul generation of Python objects for `EquationOfState.python` - Githubissues

feos-org / feos

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

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Overhaul generation of Python objects for `EquationOfState.python` #114

Closed g-bauer closed 1 year ago

g-bauer commented 1 year ago

Added macros to build

python dual numbers
python dual number states
the implementation of the HelmholtzEnergyDual trait for each state.

Currently based on github branch of num-dual. Will change Cargo.toml as soon as new version is published.

Open questions

Names of Python objects are not overwritten, i.e. no #[pyclass(name = ...)]
Names for dual numbers and state objects are all over the place. E.g. PyStateDualDualVec3 vs PyStateHDDVec2.
Ideas for coherent naming?