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dft.rs
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40 lines (39 loc) · 1.37 KB
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#[cfg(feature = "gc_pcsaft")]
use crate::gc_pcsaft::GcPcSaftFunctional;
use crate::hard_sphere::FMTFunctional;
#[cfg(feature = "pcsaft")]
use crate::pcsaft::PcSaftFunctional;
#[cfg(feature = "pets")]
use crate::pets::PetsFunctional;
#[cfg(feature = "saftvrqmie")]
use crate::saftvrqmie::SaftVRQMieFunctional;
use feos_core::*;
use feos_derive::{Components, HelmholtzEnergyFunctional};
use feos_dft::adsorption::*;
use feos_dft::solvation::*;
use feos_dft::*;
use ndarray::{Array1, Array2};
use petgraph::graph::UnGraph;
use petgraph::Graph;
use quantity::si::*;
/// Collection of different [HelmholtzEnergyFunctional] implementations.
///
/// Particularly relevant for situations in which generic types
/// are undesirable (e.g. FFI).
#[derive(Components, HelmholtzEnergyFunctional)]
pub enum FunctionalVariant {
#[cfg(feature = "pcsaft")]
#[implement(fluid_parameters, molar_weight, pair_potential)]
PcSaft(PcSaftFunctional),
#[cfg(feature = "gc_pcsaft")]
#[implement(fluid_parameters, molar_weight, bond_lengths)]
GcPcSaft(GcPcSaftFunctional),
#[cfg(feature = "pets")]
#[implement(fluid_parameters, molar_weight, pair_potential)]
Pets(PetsFunctional),
#[implement(fluid_parameters, pair_potential)]
Fmt(FMTFunctional),
#[cfg(feature = "saftvrqmie")]
#[implement(fluid_parameters, molar_weight, pair_potential)]
SaftVRQMie(SaftVRQMieFunctional),
}