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Copy pathfunctional.rs
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55 lines (53 loc) · 2.1 KB
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#[cfg(feature = "gc_pcsaft")]
use crate::gc_pcsaft::{GcPcSaftFunctional, GcPcSaftFunctionalContribution};
use crate::hard_sphere::{FMTContribution, FMTFunctional, HardSphereParameters};
#[cfg(feature = "pcsaft")]
use crate::pcsaft::{PcSaftFunctional, PcSaftFunctionalContribution};
#[cfg(feature = "pets")]
use crate::pets::{PetsFunctional, PetsFunctionalContribution};
#[cfg(feature = "saftvrqmie")]
use crate::saftvrqmie::{SaftVRQMieFunctional, SaftVRQMieFunctionalContribution};
use feos_core::si::MolarWeight;
use feos_core::*;
use feos_derive::FunctionalContribution;
use feos_derive::{Components, HelmholtzEnergyFunctional};
use feos_dft::adsorption::*;
use feos_dft::solvation::*;
use feos_dft::*;
use ndarray::{Array1, Array2, ArrayView2, ScalarOperand};
use num_dual::DualNum;
use petgraph::graph::UnGraph;
use petgraph::Graph;
/// 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),
}
#[derive(FunctionalContribution)]
pub enum FunctionalContributionVariant {
#[cfg(feature = "pcsaft")]
PcSaftFunctional(PcSaftFunctionalContribution),
#[cfg(feature = "gc_pcsaft")]
GcPcSaftFunctional(GcPcSaftFunctionalContribution),
#[cfg(feature = "pets")]
PetsFunctional(PetsFunctionalContribution),
Fmt(FMTContribution<HardSphereParameters>),
#[cfg(feature = "saftvrqmie")]
SaftVRQMieFunctional(SaftVRQMieFunctionalContribution),
}