Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems
ThermoFunEngine.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright © 2014-2024 Allan Leal
4 //
5 // This library is free software; you can redistribute it and/or
6 // modify it under the terms of the GNU Lesser General Public
7 // License as published by the Free Software Foundation; either
8 // version 2.1 of the License, or (at your option) any later version.
9 //
10 // This library is distributed in the hope that it will be useful,
11 // but WITHOUT ANY WARRANTY; without even the implied warranty of
12 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
13 // Lesser General Public License for more details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library. If not, see <http://www.gnu.org/licenses/>.
17 
18 #pragma once
19 
20 // Reaktoro includes
21 #include <Reaktoro/Common/Types.hpp>
22 #include <Reaktoro/Core/StandardThermoProps.hpp>
23 
24 // Forward declaration of ThermoFun classes
25 namespace ThermoFun { class Database; class Substance; }
26 
27 namespace Reaktoro {
28 
32 {
33 public:
35  ThermoFunEngine(const ThermoFun::Database& database);
36 
38  auto database() const -> const ThermoFun::Database&;
39 
41  auto props(const real& T, const real& P, const String& species) const -> StandardThermoProps;
42 
44  auto props(const real& T, const real& P, const ThermoFun::Substance& substance) const -> StandardThermoProps;
45 
46 private:
47  struct Impl;
48 
49  SharedPtr<Impl> pimpl;
50 };
51 
52 } // namespace Reaktoro
The class used to store and retrieve data of chemical species.
Definition: Database.hpp:32
The class used for standard thermodynamic property calculations based on ThermoFun.
Definition: ThermoFunEngine.hpp:32
auto database() const -> const ThermoFun::Database &
Return the ThermoFun::Database object.
ThermoFunEngine(const ThermoFun::Database &database)
Construct a ThermoFunEngine object with given database.
auto props(const real &T, const real &P, const String &species) const -> StandardThermoProps
Return the standard thermodynamic properties of a chemical species with given name.
The namespace containing all components of the Reaktoro library.
Definition: Algorithms.hpp:29
std::string String
Convenient alias for std::string.
Definition: Types.hpp:52
autodiff::real real
The number type used throughout the library.
Definition: Real.hpp:26
std::shared_ptr< T > SharedPtr
Convenient alias for std::shared_ptr<T>.
Definition: Types.hpp:106
The primary standard thermodynamic properties of a chemical species.
Definition: StandardThermoProps.hpp:27