ActivityProps.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright © 2014-2024 Allan Leal
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library. If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
// C++ includes
#include <any>
 
// Reaktoro includes
#include <Reaktoro/Common/Types.hpp>
#include <Reaktoro/Common/Matrix.hpp>
#include <Reaktoro/Common/TypeOp.hpp>
#include <Reaktoro/Core/Model.hpp>
#include <Reaktoro/Core/StateOfMatter.hpp>
 
namespace Reaktoro {
 
template<template<typename> typename TypeOp>
struct ActivityPropsBase
{
    TypeOp<real> Vx;
 
    TypeOp<real> VxT;
 
    TypeOp<real> VxP;
 
    TypeOp<ArrayXr> Vxi;
 
    TypeOp<real> Gx;
 
    TypeOp<real> Hx;
 
    TypeOp<real> Cpx;
 
    TypeOp<ArrayXr> ln_g;
 
    TypeOp<ArrayXr> ln_a;
 
    TypeOp<StateOfMatter> som;
 
    TypeOp<Map<String, Any>> extra;
 
    auto operator=(real value) -> ActivityPropsBase&
    {
        Vx   = value;
        VxT  = value;
        VxP  = value;
        Gx   = value;
        Hx   = value;
        Cpx  = value;
        ln_g = value;
        ln_a = value;
        return *this;
    }
 
    template<template<typename> typename OtherTypeOp>
    auto operator=(const ActivityPropsBase<OtherTypeOp>& other) -> ActivityPropsBase&
    {
        Vx    = other.Vx;
        VxT   = other.VxT;
        VxP   = other.VxP;
        Vxi   = other.Vxi;
        Gx    = other.Gx;
        Hx    = other.Hx;
        Cpx   = other.Cpx;
        ln_g  = other.ln_g;
        ln_a  = other.ln_a;
        som   = other.som;
        extra = other.extra;
        return *this;
    }
 
    template<template<typename> typename OtherTypeOp>
    operator ActivityPropsBase<OtherTypeOp>()
    {
        return { Vx, VxT, VxP, Vxi, Gx, Hx, Cpx, ln_g, ln_a, som, extra };
    }
 
    template<template<typename> typename OtherTypeOp>
    operator ActivityPropsBase<OtherTypeOp>() const
    {
        return { Vx, VxT, VxP, Vxi, Gx, Hx, Cpx, ln_g, ln_a, som, extra };
    }
 
    static auto create(Index numspecies) -> ActivityPropsBase<TypeOp>
    {
        ActivityPropsBase<TypeOp> props = {};
        props.Vx  = 0.0;
        props.VxT = 0.0;
        props.VxP = 0.0;
        props.Gx  = 0.0;
        props.Hx  = 0.0;
        props.Cpx = 0.0;
        props.Vxi  = ArrayXr::Zero(numspecies);
        props.ln_g = ArrayXr::Zero(numspecies);
        props.ln_a = ArrayXr::Zero(numspecies);
        return props;
    }
};
 
using ActivityProps = ActivityPropsBase<TypeOpIdentity>;
 
using ActivityPropsRef = ActivityPropsBase<TypeOpRef>;
 
using ActivityPropsConstRef = ActivityPropsBase<TypeOpConstRef>;
 
} // namespace Reaktoro